
La Banane : simulation program, v1.0

Reading input parameters from default.params
   header_file = poly_ban.head
   config_file = poly_ban.config
   mass_file = mass.ff
   color_file = color.map
   header_file_save = poly_ban.head.1
   config_file_save = poly_ban.config.1
   pressure_star = 5.8
   n_layers = 4
   layer_spacing = 6
   skin = 1.4
   dr_max = 0.1
   ratio_du_dr = 0.25
   dside_max = 0.001
   reshape_axis = 3
   n_reshape = 0
   cell_switch = 1
   n_cycles = 1000000
   n_block = 200000
   n_thermo = 10
   n_trajec = 100
   opt_switch = 0
   n_opt = 50
   graph_switch = 6
   n_graph = 1
   radius_sph = 0.5
   radius_cyl = 0.5
   resph = 8
   antialias_switch = 0
   species_choice = -1
   i_ran = 39847

Reading input parameters from run1.params
   open_angle = 60 degrees
   pressure_star = 9.05
   layer_spacing = 6
   n_layers = 4
   n_cycles = 100
   n_block = 10
   n_thermo = 100
   n_trajec = 10
   opt_switch = 1
   n_opt = 1
   graph_switch = 5
   n_graph = 1
   i_ran = 39847
Total number of atoms 160
   side[0][0] = 6.55118
   side[0][1] = 0
   side[0][2] = 0
   side[1][1] = 6.55118
   side[1][2] = 0
   side[2][2] = 24.4
   length1 = 2, length2 =2
   dr_max = 0.05
   ratio_du_dr = 0.25
   dside_max = 0.005
   skin = 1.4
 I am before allocating atom_coords memory n_atoms 160
 I am after allocating atom_coords memory
Finished reading atom_coords
 length1 2 length2 2
 n_sphero 120
 n_mols 40 , rho 0.0381972 v0 5.23599, rho_star 0.2
Force field parameters for species 0

mass parameters
0 C_3 1
1 C_3 1
2 C_3 1
3 C_3 1
Force field parameters for species 0

Template atom type - id
0 C_3 0
1 C_3 0
2 C_3 0
3 C_3 0

Atom type - Id matching
C_3 0

Esc to exit from initial condition and start the main MC loop.

Entering main MC loop

Adjusting maximum size of molecule moves
 dr_opt[0][0] = 0.0154558 
 dr_opt[0][1] = 0.0490435 
 dr_opt[0][2] = -0.0276258 
 dr_opt[1][0] = 0.0325562 
 dr_opt[1][1] = 0.0171809 
 dr_opt[1][2] = -0.0369731 
 dr_opt[2][0] = 0.0414654 
 dr_opt[2][1] = -0.0132089 
 dr_opt[2][2] = -0.023606 
 dr_opt[3][0] = 0.058566 
 dr_opt[3][1] = -0.0450722 
 dr_opt[3][2] = -0.0329532 
 dr_opt[4][0] = 0 
 dr_opt[4][1] = 0 
 dr_opt[4][2] = 0 
 dr_opt[5][0] = 0 
 dr_opt[5][1] = 0 
 dr_opt[5][2] = 0 
 dr_opt[6][0] = 0 
 dr_opt[6][1] = 0 
 dr_opt[6][2] = 0 
 dr_opt[7][0] = 0 
 dr_opt[7][1] = 0 
 dr_opt[7][2] = 0 
 dr_opt[8][0] = 0 
 dr_opt[8][1] = 0 
 dr_opt[8][2] = 0 
 dr_opt[9][0] = 0 
 dr_opt[9][1] = 0 
 dr_opt[9][2] = 0 
 dr_opt[10][0] = 0 
 dr_opt[10][1] = 0 
 dr_opt[10][2] = 0 
 dr_opt[11][0] = 0 
 dr_opt[11][1] = 0 
 dr_opt[11][2] = 0 
 dr_opt[12][0] = -0.0312926 
 dr_opt[12][1] = -0.00405397 
 dr_opt[12][2] = 0.0188382 
 dr_opt[13][0] = -0.0207723 
 dr_opt[13][1] = 0.000355825 
 dr_opt[13][2] = 0.0200475 
 dr_opt[14][0] = -0.00480408 
 dr_opt[14][1] = 0.00451637 
 dr_opt[14][2] = 0.0180974 
 dr_opt[15][0] = 0.0057165 
 dr_opt[15][1] = 0.00892625 
 dr_opt[15][2] = 0.0193068 
 dr_opt[16][0] = -0.023966 
 dr_opt[16][1] = 0.0103321 
 dr_opt[16][2] = 0.0497071 
 dr_opt[17][0] = 0.0096216 
 dr_opt[17][1] = -0.024878 
 dr_opt[17][2] = 0.0391341 
 dr_opt[18][0] = 0.0717263 
 dr_opt[18][1] = -0.058791 
 dr_opt[18][2] = 0.052987 
 dr_opt[19][0] = 0.105315 
 dr_opt[19][1] = -0.0940019 
 dr_opt[19][2] = 0.0424142 
 dr_opt[20][0] = 0.0431056 
 dr_opt[20][1] = -0.0560739 
 dr_opt[20][2] = -0.0129642 
 dr_opt[21][0] = 0.0132942 
 dr_opt[21][1] = -0.0446481 
 dr_opt[21][2] = -0.0100093 
 dr_opt[22][0] = -0.0354728 
 dr_opt[22][1] = -0.0340078 
 dr_opt[22][2] = -0.0154945 
 dr_opt[23][0] = -0.0652844 
 dr_opt[23][1] = -0.022582 
 dr_opt[23][2] = -0.0125397 
 dr_opt[24][0] = 0.0609234 
 dr_opt[24][1] = 0.0321237 
 dr_opt[24][2] = 0.00987868 
 dr_opt[25][0] = 0.0153607 
 dr_opt[25][1] = -0.0136457 
 dr_opt[25][2] = -0.00416205 
 dr_opt[26][0] = -0.0184227 
 dr_opt[26][1] = -0.0574215 
 dr_opt[26][2] = 0.014625 
 dr_opt[27][0] = -0.0639852 
 dr_opt[27][1] = -0.103191 
 dr_opt[27][2] = 0.000584564 
 dr_opt[28][0] = -0.112882 
 dr_opt[28][1] = -0.0551816 
 dr_opt[28][2] = -0.034167 
 dr_opt[29][0] = -0.0688755 
 dr_opt[29][1] = -0.00850643 
 dr_opt[29][2] = -0.0221121 
 dr_opt[30][0] = -0.0290053 
 dr_opt[30][1] = 0.0353186 
 dr_opt[30][2] = -0.042938 
 dr_opt[31][0] = 0.015001 
 dr_opt[31][1] = 0.0819938 
 dr_opt[31][2] = -0.0308831 
 dr_opt[32][0] = 0 
 dr_opt[32][1] = 0 
 dr_opt[32][2] = 0 
 dr_opt[33][0] = 0 
 dr_opt[33][1] = 0 
 dr_opt[33][2] = 0 
 dr_opt[34][0] = 0 
 dr_opt[34][1] = 0 
 dr_opt[34][2] = 0 
 dr_opt[35][0] = 0 
 dr_opt[35][1] = 0 
 dr_opt[35][2] = 0 
 dr_opt[36][0] = -0.0185676 
 dr_opt[36][1] = 0.111877 
 dr_opt[36][2] = 0.026949 
 dr_opt[37][0] = -0.0149808 
 dr_opt[37][1] = 0.0694849 
 dr_opt[37][2] = 0.0144845 
 dr_opt[38][0] = -0.0249011 
 dr_opt[38][1] = 0.028932 
 dr_opt[38][2] = 0.0321905 
 dr_opt[39][0] = -0.0213142 
 dr_opt[39][1] = -0.0134613 
 dr_opt[39][2] = 0.0197257 
 dr_opt[40][0] = -0.0279856 
 dr_opt[40][1] = -0.0600334 
 dr_opt[40][2] = -0.0502899 
 dr_opt[41][0] = -0.0300233 
 dr_opt[41][1] = -0.0220818 
 dr_opt[41][2] = -0.0399909 
 dr_opt[42][0] = -0.0259184 
 dr_opt[42][1] = 0.0135982 
 dr_opt[42][2] = -0.0564942 
 dr_opt[43][0] = -0.0279561 
 dr_opt[43][1] = 0.05155 
 dr_opt[43][2] = -0.0461954 
 dr_opt[44][0] = -0.0690188 
 dr_opt[44][1] = 0.00505729 
 dr_opt[44][2] = 0.0304124 
 dr_opt[45][0] = -0.0460105 
 dr_opt[45][1] = 0.0207384 
 dr_opt[45][2] = 0.0346282 
 dr_opt[46][0] = -0.00642399 
 dr_opt[46][1] = 0.0354285 
 dr_opt[46][2] = 0.0275072 
 dr_opt[47][0] = 0.0165843 
 dr_opt[47][1] = 0.0511096 
 dr_opt[47][2] = 0.031723 
 dr_opt[48][0] = -0.0434899 
 dr_opt[48][1] = -0.00933756 
 dr_opt[48][2] = -0.0170695 
 dr_opt[49][0] = -0.0649367 
 dr_opt[49][1] = 0.00087274 
 dr_opt[49][2] = -0.0143389 
 dr_opt[50][0] = -0.0477751 
 dr_opt[50][1] = 0.0100017 
 dr_opt[50][2] = -0.0185603 
 dr_opt[51][0] = -0.069222 
 dr_opt[51][1] = 0.020212 
 dr_opt[51][2] = -0.0158297 
 dr_opt[52][0] = 0 
 dr_opt[52][1] = 0 
 dr_opt[52][2] = 0 
 dr_opt[53][0] = 0 
 dr_opt[53][1] = 0 
 dr_opt[53][2] = 0 
 dr_opt[54][0] = 0 
 dr_opt[54][1] = 0 
 dr_opt[54][2] = 0 
 dr_opt[55][0] = 0 
 dr_opt[55][1] = 0 
 dr_opt[55][2] = 0 
 dr_opt[56][0] = 0 
 dr_opt[56][1] = 0 
 dr_opt[56][2] = 0 
 dr_opt[57][0] = 0 
 dr_opt[57][1] = 0 
 dr_opt[57][2] = 0 
 dr_opt[58][0] = 0 
 dr_opt[58][1] = 0 
 dr_opt[58][2] = 0 
 dr_opt[59][0] = 0 
 dr_opt[59][1] = 0 
 dr_opt[59][2] = 0 
 dr_opt[60][0] = 0 
 dr_opt[60][1] = 0 
 dr_opt[60][2] = 0 
 dr_opt[61][0] = 0 
 dr_opt[61][1] = 0 
 dr_opt[61][2] = 0 
 dr_opt[62][0] = 0 
 dr_opt[62][1] = 0 
 dr_opt[62][2] = 0 
 dr_opt[63][0] = 0 
 dr_opt[63][1] = 0 
 dr_opt[63][2] = 0 
 dr_opt[64][0] = 0.18249 
 dr_opt[64][1] = 0.0371629 
 dr_opt[64][2] = 0.0298798 
 dr_opt[65][0] = 0.150389 
 dr_opt[65][1] = -0.00563942 
 dr_opt[65][2] = 0.0170235 
 dr_opt[66][0] = 0.126799 
 dr_opt[66][1] = -0.0465405 
 dr_opt[66][2] = 0.0347527 
 dr_opt[67][0] = 0.0946959 
 dr_opt[67][1] = -0.0893437 
 dr_opt[67][2] = 0.0218964 
 dr_opt[68][0] = 0.0187927 
 dr_opt[68][1] = -0.0463525 
 dr_opt[68][2] = -0.00101811 
 dr_opt[69][0] = 0.00789128 
 dr_opt[69][1] = -0.0268721 
 dr_opt[69][2] = 0.00433821 
 dr_opt[70][0] = -0.0047882 
 dr_opt[70][1] = -0.00848784 
 dr_opt[70][2] = -0.00410045 
 dr_opt[71][0] = -0.0156898 
 dr_opt[71][1] = 0.0109929 
 dr_opt[71][2] = 0.00125584 
 dr_opt[72][0] = 0.0144502 
 dr_opt[72][1] = 0.0654048 
 dr_opt[72][2] = -0.0340743 
 dr_opt[73][0] = -0.019849 
 dr_opt[73][1] = 0.0194333 
 dr_opt[73][2] = -0.0479418 
 dr_opt[74][0] = -0.0340256 
 dr_opt[74][1] = -0.0246319 
 dr_opt[74][2] = -0.0287775 
 dr_opt[75][0] = -0.0683248 
 dr_opt[75][1] = -0.0706034 
 dr_opt[75][2] = -0.042645 
 dr_opt[76][0] = 0 
 dr_opt[76][1] = 0 
 dr_opt[76][2] = 0 
 dr_opt[77][0] = 0 
 dr_opt[77][1] = 0 
 dr_opt[77][2] = 0 
 dr_opt[78][0] = 0 
 dr_opt[78][1] = 0 
 dr_opt[78][2] = 0 
 dr_opt[79][0] = 0 
 dr_opt[79][1] = 0 
 dr_opt[79][2] = 0 
 dr_opt[80][0] = -0.0589455 
 dr_opt[80][1] = -0.0580421 
 dr_opt[80][2] = 0.0364709 
 dr_opt[81][0] = -0.0243053 
 dr_opt[81][1] = -0.0250283 
 dr_opt[81][2] = 0.0451658 
 dr_opt[82][0] = 0.00292079 
 dr_opt[82][1] = 0.00604012 
 dr_opt[82][2] = 0.0306428 
 dr_opt[83][0] = 0.0375609 
 dr_opt[83][1] = 0.0390538 
 dr_opt[83][2] = 0.0393375 
 dr_opt[84][0] = 0 
 dr_opt[84][1] = 0 
 dr_opt[84][2] = 0 
 dr_opt[85][0] = 0 
 dr_opt[85][1] = 0 
 dr_opt[85][2] = 0 
 dr_opt[86][0] = 0 
 dr_opt[86][1] = 0 
 dr_opt[86][2] = 0 
 dr_opt[87][0] = 0 
 dr_opt[87][1] = 0 
 dr_opt[87][2] = 0 
 dr_opt[88][0] = 0 
 dr_opt[88][1] = 0 
 dr_opt[88][2] = 0 
 dr_opt[89][0] = 0 
 dr_opt[89][1] = 0 
 dr_opt[89][2] = 0 
 dr_opt[90][0] = 0 
 dr_opt[90][1] = 0 
 dr_opt[90][2] = 0 
 dr_opt[91][0] = 0 
 dr_opt[91][1] = 0 
 dr_opt[91][2] = 0 
 dr_opt[92][0] = 0 
 dr_opt[92][1] = 0 
 dr_opt[92][2] = 0 
 dr_opt[93][0] = 0 
 dr_opt[93][1] = 0 
 dr_opt[93][2] = 0 
 dr_opt[94][0] = 0 
 dr_opt[94][1] = 0 
 dr_opt[94][2] = 0 
 dr_opt[95][0] = 0 
 dr_opt[95][1] = 0 
 dr_opt[95][2] = 0 
 dr_opt[96][0] = -0.0990738 
 dr_opt[96][1] = 0.109347 
 dr_opt[96][2] = -0.0606392 
 dr_opt[97][0] = -0.0478912 
 dr_opt[97][1] = 0.0393483 
 dr_opt[97][2] = -0.0824544 
 dr_opt[98][0] = -0.025307 
 dr_opt[98][1] = -0.0281303 
 dr_opt[98][2] = -0.0536696 
 dr_opt[99][0] = 0.0258745 
 dr_opt[99][1] = -0.0981275 
 dr_opt[99][2] = -0.0754844 
 dr_opt[100][0] = 0.0520333 
 dr_opt[100][1] = 0.049032 
 dr_opt[100][2] = -0.0477131 
 dr_opt[101][0] = 0.00133546 
 dr_opt[101][1] = 0.0327556 
 dr_opt[101][2] = -0.0530466 
 dr_opt[102][0] = -0.039113 
 dr_opt[102][1] = 0.0172659 
 dr_opt[102][2] = -0.0465938 
 dr_opt[103][0] = -0.0898108 
 dr_opt[103][1] = 0.00098958 
 dr_opt[103][2] = -0.0519273 
 dr_opt[104][0] = -0.0483146 
 dr_opt[104][1] = -0.00116896 
 dr_opt[104][2] = 0.0207571 
 dr_opt[105][0] = 0.00411441 
 dr_opt[105][1] = -0.0033506 
 dr_opt[105][2] = 0.0194262 
 dr_opt[106][0] = 0.0204339 
 dr_opt[106][1] = -0.00583558 
 dr_opt[106][2] = 0.0204708 
 dr_opt[107][0] = 0.0728629 
 dr_opt[107][1] = -0.00801722 
 dr_opt[107][2] = 0.0191399 
 dr_opt[108][0] = -0.00628834 
 dr_opt[108][1] = 0.116447 
 dr_opt[108][2] = 0.00451435 
 dr_opt[109][0] = -0.0197661 
 dr_opt[109][1] = 0.0664973 
 dr_opt[109][2] = -0.010323 
 dr_opt[110][0] = -0.0644108 
 dr_opt[110][1] = 0.0183539 
 dr_opt[110][2] = 0.0100703 
 dr_opt[111][0] = -0.077888 
 dr_opt[111][1] = -0.0315945 
 dr_opt[111][2] = -0.0047669 
 dr_opt[112][0] = 0 
 dr_opt[112][1] = 0 
 dr_opt[112][2] = 0 
 dr_opt[113][0] = 0 
 dr_opt[113][1] = 0 
 dr_opt[113][2] = 0 
 dr_opt[114][0] = 0 
 dr_opt[114][1] = 0 
 dr_opt[114][2] = 0 
 dr_opt[115][0] = 0 
 dr_opt[115][1] = 0 
 dr_opt[115][2] = 0 
 dr_opt[116][0] = -0.0792373 
 dr_opt[116][1] = 0.0151276 
 dr_opt[116][2] = -0.0203825 
 dr_opt[117][0] = -0.0712438 
 dr_opt[117][1] = -0.0032424 
 dr_opt[117][2] = -0.0256741 
 dr_opt[118][0] = -0.0468026 
 dr_opt[118][1] = -0.0208109 
 dr_opt[118][2] = -0.0180234 
 dr_opt[119][0] = -0.038809 
 dr_opt[119][1] = -0.0391809 
 dr_opt[119][2] = -0.0233149 
 dr_opt[120][0] = -0.0334937 
 dr_opt[120][1] = -0.100806 
 dr_opt[120][2] = 0.0190335 
 dr_opt[121][0] = -0.0183997 
 dr_opt[121][1] = -0.0613282 
 dr_opt[121][2] = 0.0296724 
 dr_opt[122][0] = -0.0243175 
 dr_opt[122][1] = -0.0243587 
 dr_opt[122][2] = 0.0125524 
 dr_opt[123][0] = -0.00922337 
 dr_opt[123][1] = 0.0151202 
 dr_opt[123][2] = 0.0231913 
 dr_opt[124][0] = -0.0586757 
 dr_opt[124][1] = -0.132271 
 dr_opt[124][2] = 0.0179812 
 dr_opt[125][0] = -0.0279578 
 dr_opt[125][1] = -0.0639787 
 dr_opt[125][2] = 0.0357 
 dr_opt[126][0] = 0.0209617 
 dr_opt[126][1] = -0.000277893 
 dr_opt[126][2] = 0.00497344 
 dr_opt[127][0] = 0.0516795 
 dr_opt[127][1] = 0.0680141 
 dr_opt[127][2] = 0.0226924 
 dr_opt[128][0] = 0 
 dr_opt[128][1] = 0 
 dr_opt[128][2] = 0 
 dr_opt[129][0] = 0 
 dr_opt[129][1] = 0 
 dr_opt[129][2] = 0 
 dr_opt[130][0] = 0 
 dr_opt[130][1] = 0 
 dr_opt[130][2] = 0 
 dr_opt[131][0] = 0 
 dr_opt[131][1] = 0 
 dr_opt[131][2] = 0 
 dr_opt[132][0] = -0.031668 
 dr_opt[132][1] = 0.0189626 
 dr_opt[132][2] = 0.00817531 
 dr_opt[133][0] = -0.0173227 
 dr_opt[133][1] = -0.00658987 
 dr_opt[133][2] = 0.000732368 
 dr_opt[134][0] = -0.00523388 
 dr_opt[134][1] = -0.0309161 
 dr_opt[134][2] = 0.0114579 
 dr_opt[135][0] = 0.00911174 
 dr_opt[135][1] = -0.056469 
 dr_opt[135][2] = 0.00401504 
 dr_opt[136][0] = -0.00682913 
 dr_opt[136][1] = 0.0137214 
 dr_opt[136][2] = 0.0534913 
 dr_opt[137][0] = -0.0191261 
 dr_opt[137][1] = -0.0282589 
 dr_opt[137][2] = 0.0411168 
 dr_opt[138][0] = -0.037245 
 dr_opt[138][1] = -0.0683612 
 dr_opt[138][2] = 0.0585696 
 dr_opt[139][0] = -0.0495419 
 dr_opt[139][1] = -0.110341 
 dr_opt[139][2] = 0.0461951 
 dr_opt[140][0] = 0 
 dr_opt[140][1] = 0 
 dr_opt[140][2] = 0 
 dr_opt[141][0] = 0 
 dr_opt[141][1] = 0 
 dr_opt[141][2] = 0 
 dr_opt[142][0] = 0 
 dr_opt[142][1] = 0 
 dr_opt[142][2] = 0 
 dr_opt[143][0] = 0 
 dr_opt[143][1] = 0 
 dr_opt[143][2] = 0 
 dr_opt[144][0] = 0 
 dr_opt[144][1] = 0 
 dr_opt[144][2] = 0 
 dr_opt[145][0] = 0 
 dr_opt[145][1] = 0 
 dr_opt[145][2] = 0 
 dr_opt[146][0] = 0 
 dr_opt[146][1] = 0 
 dr_opt[146][2] = 0 
 dr_opt[147][0] = 0 
 dr_opt[147][1] = 0 
 dr_opt[147][2] = 0 
 dr_opt[148][0] = 0 
 dr_opt[148][1] = 0 
 dr_opt[148][2] = 0 
 dr_opt[149][0] = 0 
 dr_opt[149][1] = 0 
 dr_opt[149][2] = 0 
 dr_opt[150][0] = 0 
 dr_opt[150][1] = 0 
 dr_opt[150][2] = 0 
 dr_opt[151][0] = 0 
 dr_opt[151][1] = 0 
 dr_opt[151][2] = 0 
 dr_opt[152][0] = 0.0736792 
 dr_opt[152][1] = 0.0821631 
 dr_opt[152][2] = 0.0198123 
 dr_opt[153][0] = 0.0249506 
 dr_opt[153][1] = 0.0457932 
 dr_opt[153][2] = 0.00856344 
 dr_opt[154][0] = 0.00624665 
 dr_opt[154][1] = 0.010805 
 dr_opt[154][2] = 0.0238307 
 dr_opt[155][0] = -0.0424811 
 dr_opt[155][1] = -0.0255641 
 dr_opt[155][2] = 0.0125818 
 dr_opt[156][0] = 0 
 dr_opt[156][1] = 0 
 dr_opt[156][2] = 0 
 dr_opt[157][0] = 0 
 dr_opt[157][1] = 0 
 dr_opt[157][2] = 0 
 dr_opt[158][0] = 0 
 dr_opt[158][1] = 0 
 dr_opt[158][2] = 0 
 dr_opt[159][0] = 0 
 dr_opt[159][1] = 0 
 dr_opt[159][2] = 0 
 n_atoms 160 dr2 0.00371221 opt_time 0.20984 opt_time_old 0.1952
   dr_max_old = 0.05, efficiency_old = 0 / cpu s
   dr_max = 0.05, efficiency = 0.253566 / cpu s
   dr_max = 0.055
   du_max = 0.01375

Adjusting maximum size of molecule moves
 dr_opt[0][0] = 0 
 dr_opt[0][1] = 0 
 dr_opt[0][2] = 0 
 dr_opt[1][0] = 0 
 dr_opt[1][1] = 0 
 dr_opt[1][2] = 0 
 dr_opt[2][0] = 0 
 dr_opt[2][1] = 0 
 dr_opt[2][2] = 0 
 dr_opt[3][0] = 0 
 dr_opt[3][1] = 0 
 dr_opt[3][2] = 0 
 dr_opt[4][0] = 0.051773 
 dr_opt[4][1] = 0.0491109 
 dr_opt[4][2] = 0.0345641 
 dr_opt[5][0] = 0.0231933 
 dr_opt[5][1] = 0.0181481 
 dr_opt[5][2] = 0.0253499 
 dr_opt[6][0] = -0.0218777 
 dr_opt[6][1] = -0.0114731 
 dr_opt[6][2] = 0.0378547 
 dr_opt[7][0] = -0.0504573 
 dr_opt[7][1] = -0.0424359 
 dr_opt[7][2] = 0.0286405 
 dr_opt[8][0] = -0.0236166 
 dr_opt[8][1] = 0.0314313 
 dr_opt[8][2] = -0.0503097 
 dr_opt[9][0] = -0.0399895 
 dr_opt[9][1] = 0.0202208 
 dr_opt[9][2] = -0.0535758 
 dr_opt[10][0] = -0.0498347 
 dr_opt[10][1] = 0.00956579 
 dr_opt[10][2] = -0.0488394 
 dr_opt[11][0] = -0.0662074 
 dr_opt[11][1] = -0.0016445 
 dr_opt[11][2] = -0.0521057 
 dr_opt[12][0] = 0.0368101 
 dr_opt[12][1] = -0.0820292 
 dr_opt[12][2] = -0.016998 
 dr_opt[13][0] = 0.0147278 
 dr_opt[13][1] = -0.0433702 
 dr_opt[13][2] = -0.00661407 
 dr_opt[14][0] = 0.00309986 
 dr_opt[14][1] = -0.00714806 
 dr_opt[14][2] = -0.0234055 
 dr_opt[15][0] = -0.0189828 
 dr_opt[15][1] = 0.0315117 
 dr_opt[15][2] = -0.0130216 
 dr_opt[16][0] = 0 
 dr_opt[16][1] = 0 
 dr_opt[16][2] = 0 
 dr_opt[17][0] = 0 
 dr_opt[17][1] = 0 
 dr_opt[17][2] = 0 
 dr_opt[18][0] = 0 
 dr_opt[18][1] = 0 
 dr_opt[18][2] = 0 
 dr_opt[19][0] = 0 
 dr_opt[19][1] = 0 
 dr_opt[19][2] = 0 
 dr_opt[20][0] = 0 
 dr_opt[20][1] = 0 
 dr_opt[20][2] = 0 
 dr_opt[21][0] = 0 
 dr_opt[21][1] = 0 
 dr_opt[21][2] = 0 
 dr_opt[22][0] = 0 
 dr_opt[22][1] = 0 
 dr_opt[22][2] = 0 
 dr_opt[23][0] = 0 
 dr_opt[23][1] = 0 
 dr_opt[23][2] = 0 
 dr_opt[24][0] = 0.0445083 
 dr_opt[24][1] = 0.0695728 
 dr_opt[24][2] = 0.0183782 
 dr_opt[25][0] = 0.0424227 
 dr_opt[25][1] = 0.0204209 
 dr_opt[25][2] = 0.00249008 
 dr_opt[26][0] = 0.0192126 
 dr_opt[26][1] = -0.0274087 
 dr_opt[26][2] = 0.0213928 
 dr_opt[27][0] = 0.0171267 
 dr_opt[27][1] = -0.0765604 
 dr_opt[27][2] = 0.00550486 
 dr_opt[28][0] = 0.0185908 
 dr_opt[28][1] = -0.0436366 
 dr_opt[28][2] = -0.0462134 
 dr_opt[29][0] = -0.0177471 
 dr_opt[29][1] = -0.0487851 
 dr_opt[29][2] = -0.0470544 
 dr_opt[30][0] = -0.0767421 
 dr_opt[30][1] = -0.0538407 
 dr_opt[30][2] = -0.0442972 
 dr_opt[31][0] = -0.11308 
 dr_opt[31][1] = -0.0589892 
 dr_opt[31][2] = -0.0451382 
 dr_opt[32][0] = -0.0304273 
 dr_opt[32][1] = 0.106876 
 dr_opt[32][2] = 0.057932 
 dr_opt[33][0] = 0.0201311 
 dr_opt[33][1] = 0.0652368 
 dr_opt[33][2] = 0.0450327 
 dr_opt[34][0] = 0.0551468 
 dr_opt[34][1] = 0.0254061 
 dr_opt[34][2] = 0.0621258 
 dr_opt[35][0] = 0.105706 
 dr_opt[35][1] = -0.016234 
 dr_opt[35][2] = 0.0492264 
 dr_opt[36][0] = -0.00996325 
 dr_opt[36][1] = 0.0282795 
 dr_opt[36][2] = -0.0031306 
 dr_opt[37][0] = -0.0143326 
 dr_opt[37][1] = 0.0104974 
 dr_opt[37][2] = -0.00865915 
 dr_opt[38][0] = -0.010421 
 dr_opt[38][1] = -0.0066247 
 dr_opt[38][2] = -0.00147333 
 dr_opt[39][0] = -0.0147904 
 dr_opt[39][1] = -0.0244071 
 dr_opt[39][2] = -0.00700198 
 dr_opt[40][0] = 0 
 dr_opt[40][1] = 0 
 dr_opt[40][2] = 0 
 dr_opt[41][0] = 0 
 dr_opt[41][1] = 0 
 dr_opt[41][2] = 0 
 dr_opt[42][0] = 0 
 dr_opt[42][1] = 0 
 dr_opt[42][2] = 0 
 dr_opt[43][0] = 0 
 dr_opt[43][1] = 0 
 dr_opt[43][2] = 0 
 dr_opt[44][0] = 0.0748181 
 dr_opt[44][1] = -0.0183506 
 dr_opt[44][2] = 0.0739125 
 dr_opt[45][0] = 0.0492125 
 dr_opt[45][1] = -0.0230396 
 dr_opt[45][2] = 0.0727607 
 dr_opt[46][0] = 0.00430801 
 dr_opt[46][1] = -0.0273415 
 dr_opt[46][2] = 0.0751581 
 dr_opt[47][0] = -0.0212975 
 dr_opt[47][1] = -0.0320305 
 dr_opt[47][2] = 0.0740063 
 dr_opt[48][0] = 0 
 dr_opt[48][1] = 0 
 dr_opt[48][2] = 0 
 dr_opt[49][0] = 0 
 dr_opt[49][1] = 0 
 dr_opt[49][2] = 0 
 dr_opt[50][0] = 0 
 dr_opt[50][1] = 0 
 dr_opt[50][2] = 0 
 dr_opt[51][0] = 0 
 dr_opt[51][1] = 0 
 dr_opt[51][2] = 0 
 dr_opt[52][0] = 0.0401575 
 dr_opt[52][1] = 0.0309118 
 dr_opt[52][2] = 0.00551187 
 dr_opt[53][0] = 0.00842182 
 dr_opt[53][1] = -0.000182316 
 dr_opt[53][2] = -0.00379129 
 dr_opt[54][0] = -0.0573236 
 dr_opt[54][1] = -0.0302788 
 dr_opt[54][2] = 0.00829408 
 dr_opt[55][0] = -0.0890583 
 dr_opt[55][1] = -0.0613723 
 dr_opt[55][2] = -0.00100907 
 dr_opt[56][0] = 0 
 dr_opt[56][1] = 0 
 dr_opt[56][2] = 0 
 dr_opt[57][0] = 0 
 dr_opt[57][1] = 0 
 dr_opt[57][2] = 0 
 dr_opt[58][0] = 0 
 dr_opt[58][1] = 0 
 dr_opt[58][2] = 0 
 dr_opt[59][0] = 0 
 dr_opt[59][1] = 0 
 dr_opt[59][2] = 0 
 dr_opt[60][0] = 0.0485929 
 dr_opt[60][1] = -0.0442617 
 dr_opt[60][2] = 0.0437796 
 dr_opt[61][0] = 0.0477474 
 dr_opt[61][1] = -0.0403445 
 dr_opt[61][2] = 0.0448797 
 dr_opt[62][0] = 0.0457876 
 dr_opt[62][1] = -0.0366369 
 dr_opt[62][2] = 0.0432037 
 dr_opt[63][0] = 0.0449422 
 dr_opt[63][1] = -0.0327198 
 dr_opt[63][2] = 0.0443038 
 dr_opt[64][0] = -0.0443919 
 dr_opt[64][1] = -0.085199 
 dr_opt[64][2] = 0.0219072 
 dr_opt[65][0] = 0.0166412 
 dr_opt[65][1] = -0.0585031 
 dr_opt[65][2] = 0.0299308 
 dr_opt[66][0] = 0.0508139 
 dr_opt[66][1] = -0.0330153 
 dr_opt[66][2] = 0.0190369 
 dr_opt[67][0] = 0.111848 
 dr_opt[67][1] = -0.00631888 
 dr_opt[67][2] = 0.0270604 
 dr_opt[68][0] = 0 
 dr_opt[68][1] = 0 
 dr_opt[68][2] = 0 
 dr_opt[69][0] = 0 
 dr_opt[69][1] = 0 
 dr_opt[69][2] = 0 
 dr_opt[70][0] = 0 
 dr_opt[70][1] = 0 
 dr_opt[70][2] = 0 
 dr_opt[71][0] = 0 
 dr_opt[71][1] = 0 
 dr_opt[71][2] = 0 
 dr_opt[72][0] = 0.0556445 
 dr_opt[72][1] = 0.100491 
 dr_opt[72][2] = 0.0153186 
 dr_opt[73][0] = 0.0159754 
 dr_opt[73][1] = 0.0872961 
 dr_opt[73][2] = 0.0100771 
 dr_opt[74][0] = -0.00584094 
 dr_opt[74][1] = 0.0742036 
 dr_opt[74][2] = 0.0152505 
 dr_opt[75][0] = -0.0455101 
 dr_opt[75][1] = 0.0610088 
 dr_opt[75][2] = 0.010009 
 dr_opt[76][0] = 0 
 dr_opt[76][1] = 0 
 dr_opt[76][2] = 0 
 dr_opt[77][0] = 0 
 dr_opt[77][1] = 0 
 dr_opt[77][2] = 0 
 dr_opt[78][0] = 0 
 dr_opt[78][1] = 0 
 dr_opt[78][2] = 0 
 dr_opt[79][0] = 0 
 dr_opt[79][1] = 0 
 dr_opt[79][2] = 0 
 dr_opt[80][0] = 0.0601145 
 dr_opt[80][1] = 0.06591 
 dr_opt[80][2] = -0.0461666 
 dr_opt[81][0] = 0.0176563 
 dr_opt[81][1] = 0.029775 
 dr_opt[81][2] = -0.0557602 
 dr_opt[82][0] = -0.0270758 
 dr_opt[82][1] = -0.00429005 
 dr_opt[82][2] = -0.0399741 
 dr_opt[83][0] = -0.069534 
 dr_opt[83][1] = -0.040425 
 dr_opt[83][2] = -0.0495676 
 dr_opt[84][0] = 0.0203143 
 dr_opt[84][1] = -0.0592413 
 dr_opt[84][2] = -0.038755 
 dr_opt[85][0] = 0.0446258 
 dr_opt[85][1] = -0.0536934 
 dr_opt[85][2] = -0.0373526 
 dr_opt[86][0] = 0.0815632 
 dr_opt[86][1] = -0.0485162 
 dr_opt[86][2] = -0.0400685 
 dr_opt[87][0] = 0.105874 
 dr_opt[87][1] = -0.0429683 
 dr_opt[87][2] = -0.0386661 
 dr_opt[88][0] = 0.0387843 
 dr_opt[88][1] = 0.0216508 
 dr_opt[88][2] = -0.0287616 
 dr_opt[89][0] = 0.0426462 
 dr_opt[89][1] = 0.0282639 
 dr_opt[89][2] = -0.0269129 
 dr_opt[90][0] = 0.0223695 
 dr_opt[90][1] = 0.0343065 
 dr_opt[90][2] = -0.0297601 
 dr_opt[91][0] = 0.0262311 
 dr_opt[91][1] = 0.0409197 
 dr_opt[91][2] = -0.0279115 
 dr_opt[92][0] = 0.043017 
 dr_opt[92][1] = -0.0677041 
 dr_opt[92][2] = 0.0174504 
 dr_opt[93][0] = 0.0243064 
 dr_opt[93][1] = -0.018085 
 dr_opt[93][2] = 0.0306664 
 dr_opt[94][0] = -0.00277309 
 dr_opt[94][1] = 0.0284434 
 dr_opt[94][2] = 0.00877794 
 dr_opt[95][0] = -0.0214837 
 dr_opt[95][1] = 0.0780625 
 dr_opt[95][2] = 0.0219936 
 dr_opt[96][0] = 0 
 dr_opt[96][1] = 0 
 dr_opt[96][2] = 0 
 dr_opt[97][0] = 0 
 dr_opt[97][1] = 0 
 dr_opt[97][2] = 0 
 dr_opt[98][0] = 0 
 dr_opt[98][1] = 0 
 dr_opt[98][2] = 0 
 dr_opt[99][0] = 0 
 dr_opt[99][1] = 0 
 dr_opt[99][2] = 0 
 dr_opt[100][0] = 0 
 dr_opt[100][1] = 0 
 dr_opt[100][2] = 0 
 dr_opt[101][0] = 0 
 dr_opt[101][1] = 0 
 dr_opt[101][2] = 0 
 dr_opt[102][0] = 0 
 dr_opt[102][1] = 0 
 dr_opt[102][2] = 0 
 dr_opt[103][0] = 0 
 dr_opt[103][1] = 0 
 dr_opt[103][2] = 0 
 dr_opt[104][0] = 0.00647151 
 dr_opt[104][1] = 0.049327 
 dr_opt[104][2] = -0.0472426 
 dr_opt[105][0] = 0.000891632 
 dr_opt[105][1] = 0.000545609 
 dr_opt[105][2] = -0.061591 
 dr_opt[106][0] = 0.00130736 
 dr_opt[106][1] = -0.0460208 
 dr_opt[106][2] = -0.0413967 
 dr_opt[107][0] = -0.00427253 
 dr_opt[107][1] = -0.0948022 
 dr_opt[107][2] = -0.0557451 
 dr_opt[108][0] = -0.0775029 
 dr_opt[108][1] = 0.0773283 
 dr_opt[108][2] = 0.0143451 
 dr_opt[109][0] = -0.0426265 
 dr_opt[109][1] = 0.0349086 
 dr_opt[109][2] = 0.00058844 
 dr_opt[110][0] = -0.00169042 
 dr_opt[110][1] = -0.00623706 
 dr_opt[110][2] = 0.0178428 
 dr_opt[111][0] = 0.0331852 
 dr_opt[111][1] = -0.0486559 
 dr_opt[111][2] = 0.00408624 
 dr_opt[112][0] = -0.0673621 
 dr_opt[112][1] = -0.0964291 
 dr_opt[112][2] = 0.0116748 
 dr_opt[113][0] = -0.0390758 
 dr_opt[113][1] = -0.0643355 
 dr_opt[113][2] = 0.0202301 
 dr_opt[114][0] = 0.0150906 
 dr_opt[114][1] = -0.0344065 
 dr_opt[114][2] = 0.00563786 
 dr_opt[115][0] = 0.0433769 
 dr_opt[115][1] = -0.00231281 
 dr_opt[115][2] = 0.0141932 
 dr_opt[116][0] = 0 
 dr_opt[116][1] = 0 
 dr_opt[116][2] = 0 
 dr_opt[117][0] = 0 
 dr_opt[117][1] = 0 
 dr_opt[117][2] = 0 
 dr_opt[118][0] = 0 
 dr_opt[118][1] = 0 
 dr_opt[118][2] = 0 
 dr_opt[119][0] = 0 
 dr_opt[119][1] = 0 
 dr_opt[119][2] = 0 
 dr_opt[120][0] = 0 
 dr_opt[120][1] = 0 
 dr_opt[120][2] = 0 
 dr_opt[121][0] = 0 
 dr_opt[121][1] = 0 
 dr_opt[121][2] = 0 
 dr_opt[122][0] = 0 
 dr_opt[122][1] = 0 
 dr_opt[122][2] = 0 
 dr_opt[123][0] = 0 
 dr_opt[123][1] = 0 
 dr_opt[123][2] = 0 
 dr_opt[124][0] = 0 
 dr_opt[124][1] = 0 
 dr_opt[124][2] = 0 
 dr_opt[125][0] = 0 
 dr_opt[125][1] = 0 
 dr_opt[125][2] = 0 
 dr_opt[126][0] = 0 
 dr_opt[126][1] = 0 
 dr_opt[126][2] = 0 
 dr_opt[127][0] = 0 
 dr_opt[127][1] = 0 
 dr_opt[127][2] = 0 
 dr_opt[128][0] = 0 
 dr_opt[128][1] = 0 
 dr_opt[128][2] = 0 
 dr_opt[129][0] = 0 
 dr_opt[129][1] = 0 
 dr_opt[129][2] = 0 
 dr_opt[130][0] = 0 
 dr_opt[130][1] = 0 
 dr_opt[130][2] = 0 
 dr_opt[131][0] = 0 
 dr_opt[131][1] = 0 
 dr_opt[131][2] = 0 
 dr_opt[132][0] = -0.0253438 
 dr_opt[132][1] = 0.0399845 
 dr_opt[132][2] = 0.0281126 
 dr_opt[133][0] = -0.0170962 
 dr_opt[133][1] = 0.0137376 
 dr_opt[133][2] = 0.0200567 
 dr_opt[134][0] = 0.0232106 
 dr_opt[134][1] = -0.0118426 
 dr_opt[134][2] = 0.0302592 
 dr_opt[135][0] = 0.0314588 
 dr_opt[135][1] = -0.0380901 
 dr_opt[135][2] = 0.0222035 
 dr_opt[136][0] = -0.121359 
 dr_opt[136][1] = -0.0196889 
 dr_opt[136][2] = -0.0296519 
 dr_opt[137][0] = -0.0799937 
 dr_opt[137][1] = -0.0145712 
 dr_opt[137][2] = -0.0282759 
 dr_opt[138][0] = -0.02609 
 dr_opt[138][1] = -0.0096581 
 dr_opt[138][2] = -0.0306281 
 dr_opt[139][0] = 0.0152756 
 dr_opt[139][1] = -0.0045404 
 dr_opt[139][2] = -0.029252 
 dr_opt[140][0] = -0.0989561 
 dr_opt[140][1] = -0.0462832 
 dr_opt[140][2] = 0.0198189 
 dr_opt[141][0] = -0.0565273 
 dr_opt[141][1] = -0.0320152 
 dr_opt[141][2] = 0.0233185 
 dr_opt[142][0] = -0.0147952 
 dr_opt[142][1] = -0.0185368 
 dr_opt[142][2] = 0.0167068 
 dr_opt[143][0] = 0.0276337 
 dr_opt[143][1] = -0.00426878 
 dr_opt[143][2] = 0.0202065 
 dr_opt[144][0] = 0.0972758 
 dr_opt[144][1] = 0.0936922 
 dr_opt[144][2] = 0.0234449 
 dr_opt[145][0] = 0.0507867 
 dr_opt[145][1] = 0.0421782 
 dr_opt[145][2] = 0.00760293 
 dr_opt[146][0] = 0.0130008 
 dr_opt[146][1] = -0.00712343 
 dr_opt[146][2] = 0.0286349 
 dr_opt[147][0] = -0.0334874 
 dr_opt[147][1] = -0.0586364 
 dr_opt[147][2] = 0.0127933 
 dr_opt[148][0] = 0 
 dr_opt[148][1] = 0 
 dr_opt[148][2] = 0 
 dr_opt[149][0] = 0 
 dr_opt[149][1] = 0 
 dr_opt[149][2] = 0 
 dr_opt[150][0] = 0 
 dr_opt[150][1] = 0 
 dr_opt[150][2] = 0 
 dr_opt[151][0] = 0 
 dr_opt[151][1] = 0 
 dr_opt[151][2] = 0 
 dr_opt[152][0] = 0.0822404 
 dr_opt[152][1] = 0.0641831 
 dr_opt[152][2] = 0.0556125 
 dr_opt[153][0] = 0.0591009 
 dr_opt[153][1] = 0.0250148 
 dr_opt[153][2] = 0.0425841 
 dr_opt[154][0] = 0.040729 
 dr_opt[154][1] = -0.0130003 
 dr_opt[154][2] = 0.0581079 
 dr_opt[155][0] = 0.01759 
 dr_opt[155][1] = -0.0521679 
 dr_opt[155][2] = 0.0450796 
 dr_opt[156][0] = -0.06594 
 dr_opt[156][1] = -0.0590206 
 dr_opt[156][2] = -0.0467815 
 dr_opt[157][0] = -0.0472781 
 dr_opt[157][1] = -0.0221818 
 dr_opt[157][2] = -0.0368622 
 dr_opt[158][0] = -0.0568758 
 dr_opt[158][1] = 0.0121974 
 dr_opt[158][2] = -0.0527697 
 dr_opt[159][0] = -0.0382139 
 dr_opt[159][1] = 0.0490361 
 dr_opt[159][2] = -0.0428504 
 n_atoms 160 dr2 0.00366302 opt_time 0.225456 opt_time_old 0.20984
   dr_max_old = 0.05, efficiency_old = 0.253566 / cpu s
   dr_max = 0.055, efficiency = 0.234568 / cpu s
   dr_max = 0.05
   du_max = 0.0125

Adjusting maximum size of molecule moves
 dr_opt[0][0] = 0 
 dr_opt[0][1] = 0 
 dr_opt[0][2] = 0 
 dr_opt[1][0] = 0 
 dr_opt[1][1] = 0 
 dr_opt[1][2] = 0 
 dr_opt[2][0] = 0 
 dr_opt[2][1] = 0 
 dr_opt[2][2] = 0 
 dr_opt[3][0] = 0 
 dr_opt[3][1] = 0 
 dr_opt[3][2] = 0 
 dr_opt[4][0] = -0.0078452 
 dr_opt[4][1] = -0.0449176 
 dr_opt[4][2] = 0.0867733 
 dr_opt[5][0] = -0.0124685 
 dr_opt[5][1] = 0.00465311 
 dr_opt[5][2] = 0.100852 
 dr_opt[6][0] = 0.0100359 
 dr_opt[6][1] = 0.0518111 
 dr_opt[6][2] = 0.0802044 
 dr_opt[7][0] = 0.00541259 
 dr_opt[7][1] = 0.101382 
 dr_opt[7][2] = 0.0942833 
 dr_opt[8][0] = 0.0321997 
 dr_opt[8][1] = -0.0772534 
 dr_opt[8][2] = -0.0199113 
 dr_opt[9][0] = 0.0417004 
 dr_opt[9][1] = -0.0313085 
 dr_opt[9][2] = -0.00719958 
 dr_opt[10][0] = 0.0204121 
 dr_opt[10][1] = 0.0118054 
 dr_opt[10][2] = -0.0271776 
 dr_opt[11][0] = 0.0299132 
 dr_opt[11][1] = 0.0577494 
 dr_opt[11][2] = -0.0144657 
 dr_opt[12][0] = 0 
 dr_opt[12][1] = 0 
 dr_opt[12][2] = 0 
 dr_opt[13][0] = 0 
 dr_opt[13][1] = 0 
 dr_opt[13][2] = 0 
 dr_opt[14][0] = 0 
 dr_opt[14][1] = 0 
 dr_opt[14][2] = 0 
 dr_opt[15][0] = 0 
 dr_opt[15][1] = 0 
 dr_opt[15][2] = 0 
 dr_opt[16][0] = -0.0406069 
 dr_opt[16][1] = -0.116319 
 dr_opt[16][2] = -0.0382754 
 dr_opt[17][0] = 0.00369547 
 dr_opt[17][1] = -0.0518244 
 dr_opt[17][2] = -0.021254 
 dr_opt[18][0] = 0.0733616 
 dr_opt[18][1] = 0.00837402 
 dr_opt[18][2] = -0.0519774 
 dr_opt[19][0] = 0.117665 
 dr_opt[19][1] = 0.0728697 
 dr_opt[19][2] = -0.0349564 
 dr_opt[20][0] = 0.00933358 
 dr_opt[20][1] = 0.00552249 
 dr_opt[20][2] = 0.00838343 
 dr_opt[21][0] = 0.0405699 
 dr_opt[21][1] = 0.0180656 
 dr_opt[21][2] = 0.0120263 
 dr_opt[22][0] = 0.0180685 
 dr_opt[22][1] = 0.0280464 
 dr_opt[22][2] = 0.00667965 
 dr_opt[23][0] = 0.0493044 
 dr_opt[23][1] = 0.0405895 
 dr_opt[23][2] = 0.0103225 
 dr_opt[24][0] = 0.0200123 
 dr_opt[24][1] = 0.000780453 
 dr_opt[24][2] = -0.0180913 
 dr_opt[25][0] = 0.0163654 
 dr_opt[25][1] = 0.0328073 
 dr_opt[25][2] = -0.00770773 
 dr_opt[26][0] = -0.0170403 
 dr_opt[26][1] = 0.0635002 
 dr_opt[26][2] = -0.0213711 
 dr_opt[27][0] = -0.0206875 
 dr_opt[27][1] = 0.095527 
 dr_opt[27][2] = -0.0109877 
 dr_opt[28][0] = -0.106206 
 dr_opt[28][1] = 0.0218603 
 dr_opt[28][2] = 0.0470635 
 dr_opt[29][0] = -0.0617865 
 dr_opt[29][1] = 0.00499056 
 dr_opt[29][2] = 0.0419302 
 dr_opt[30][0] = -0.0272997 
 dr_opt[30][1] = -0.0109529 
 dr_opt[30][2] = 0.0494771 
 dr_opt[31][0] = 0.0171199 
 dr_opt[31][1] = -0.0278227 
 dr_opt[31][2] = 0.0443438 
 dr_opt[32][0] = 0 
 dr_opt[32][1] = 0 
 dr_opt[32][2] = 0 
 dr_opt[33][0] = 0 
 dr_opt[33][1] = 0 
 dr_opt[33][2] = 0 
 dr_opt[34][0] = 0 
 dr_opt[34][1] = 0 
 dr_opt[34][2] = 0 
 dr_opt[35][0] = 0 
 dr_opt[35][1] = 0 
 dr_opt[35][2] = 0 
 dr_opt[36][0] = 0 
 dr_opt[36][1] = 0 
 dr_opt[36][2] = 0 
 dr_opt[37][0] = 0 
 dr_opt[37][1] = 0 
 dr_opt[37][2] = 0 
 dr_opt[38][0] = 0 
 dr_opt[38][1] = 0 
 dr_opt[38][2] = 0 
 dr_opt[39][0] = 0 
 dr_opt[39][1] = 0 
 dr_opt[39][2] = 0 
 dr_opt[40][0] = 0.00275477 
 dr_opt[40][1] = 0.000780399 
 dr_opt[40][2] = 0.0223855 
 dr_opt[41][0] = -0.00251412 
 dr_opt[41][1] = -0.0110333 
 dr_opt[41][2] = 0.0192524 
 dr_opt[42][0] = -0.0318978 
 dr_opt[42][1] = -0.0222029 
 dr_opt[42][2] = 0.0243373 
 dr_opt[43][0] = -0.0371669 
 dr_opt[43][1] = -0.0340166 
 dr_opt[43][2] = 0.0212042 
 dr_opt[44][0] = 0.0162712 
 dr_opt[44][1] = 0.0872855 
 dr_opt[44][2] = -0.00365558 
 dr_opt[45][0] = 0.0275144 
 dr_opt[45][1] = 0.0400617 
 dr_opt[45][2] = -0.0173259 
 dr_opt[46][0] = -0.00236608 
 dr_opt[46][1] = -0.00559123 
 dr_opt[46][2] = 0.00254194 
 dr_opt[47][0] = 0.00887712 
 dr_opt[47][1] = -0.0528149 
 dr_opt[47][2] = -0.0111284 
 dr_opt[48][0] = 0 
 dr_opt[48][1] = 0 
 dr_opt[48][2] = 0 
 dr_opt[49][0] = 0 
 dr_opt[49][1] = 0 
 dr_opt[49][2] = 0 
 dr_opt[50][0] = 0 
 dr_opt[50][1] = 0 
 dr_opt[50][2] = 0 
 dr_opt[51][0] = 0 
 dr_opt[51][1] = 0 
 dr_opt[51][2] = 0 
 dr_opt[52][0] = 0 
 dr_opt[52][1] = 0 
 dr_opt[52][2] = 0 
 dr_opt[53][0] = 0 
 dr_opt[53][1] = 0 
 dr_opt[53][2] = 0 
 dr_opt[54][0] = 0 
 dr_opt[54][1] = 0 
 dr_opt[54][2] = 0 
 dr_opt[55][0] = 0 
 dr_opt[55][1] = 0 
 dr_opt[55][2] = 0 
 dr_opt[56][0] = -0.0553579 
 dr_opt[56][1] = 0.0187741 
 dr_opt[56][2] = 0.00710363 
 dr_opt[57][0] = -0.0558657 
 dr_opt[57][1] = -0.0247657 
 dr_opt[57][2] = -0.00570898 
 dr_opt[58][0] = -0.0393608 
 dr_opt[58][1] = -0.0664624 
 dr_opt[58][2] = 0.0124349 
 dr_opt[59][0] = -0.0398686 
 dr_opt[59][1] = -0.110002 
 dr_opt[59][2] = -0.000377682 
 dr_opt[60][0] = 0 
 dr_opt[60][1] = 0 
 dr_opt[60][2] = 0 
 dr_opt[61][0] = 0 
 dr_opt[61][1] = 0 
 dr_opt[61][2] = 0 
 dr_opt[62][0] = 0 
 dr_opt[62][1] = 0 
 dr_opt[62][2] = 0 
 dr_opt[63][0] = 0 
 dr_opt[63][1] = 0 
 dr_opt[63][2] = 0 
 dr_opt[64][0] = 0.0841431 
 dr_opt[64][1] = -0.0442213 
 dr_opt[64][2] = -0.00177942 
 dr_opt[65][0] = 0.0554265 
 dr_opt[65][1] = -0.0122375 
 dr_opt[65][2] = 0.00745998 
 dr_opt[66][0] = 0.0325076 
 dr_opt[66][1] = 0.0181127 
 dr_opt[66][2] = -0.0062204 
 dr_opt[67][0] = 0.00379051 
 dr_opt[67][1] = 0.0500972 
 dr_opt[67][2] = 0.00301901 
 dr_opt[68][0] = 0.0086823 
 dr_opt[68][1] = 0.0128628 
 dr_opt[68][2] = 0.0259907 
 dr_opt[69][0] = -0.0021864 
 dr_opt[69][1] = -0.0289838 
 dr_opt[69][2] = 0.0140631 
 dr_opt[70][0] = -0.0116496 
 dr_opt[70][1] = -0.0686478 
 dr_opt[70][2] = 0.0318063 
 dr_opt[71][0] = -0.0225185 
 dr_opt[71][1] = -0.110495 
 dr_opt[71][2] = 0.0198788 
 dr_opt[72][0] = -0.00352584 
 dr_opt[72][1] = 0.00257508 
 dr_opt[72][2] = -0.0131118 
 dr_opt[73][0] = -0.0298996 
 dr_opt[73][1] = 0.0320791 
 dr_opt[73][2] = -0.0052436 
 dr_opt[74][0] = -0.0392408 
 dr_opt[74][1] = 0.0600142 
 dr_opt[74][2] = -0.017255 
 dr_opt[75][0] = -0.0656146 
 dr_opt[75][1] = 0.0895182 
 dr_opt[75][2] = -0.00938683 
 dr_opt[76][0] = 0.0506028 
 dr_opt[76][1] = 0.104104 
 dr_opt[76][2] = -0.0330254 
 dr_opt[77][0] = 0.0209368 
 dr_opt[77][1] = 0.0594884 
 dr_opt[77][2] = -0.0463982 
 dr_opt[78][0] = -0.0136482 
 dr_opt[78][1] = 0.0168485 
 dr_opt[78][2] = -0.0281064 
 dr_opt[79][0] = -0.0433135 
 dr_opt[79][1] = -0.0277657 
 dr_opt[79][2] = -0.0414792 
 dr_opt[80][0] = -0.100233 
 dr_opt[80][1] = 0.0577288 
 dr_opt[80][2] = 0.0177726 
 dr_opt[81][0] = -0.0583402 
 dr_opt[81][1] = 0.0497023 
 dr_opt[81][2] = 0.0151909 
 dr_opt[82][0] = -0.0144614 
 dr_opt[82][1] = 0.0421025 
 dr_opt[82][2] = 0.0184746 
 dr_opt[83][0] = 0.0274312 
 dr_opt[83][1] = 0.034076 
 dr_opt[83][2] = 0.0158929 
 dr_opt[84][0] = 0.00365723 
 dr_opt[84][1] = 0.0220606 
 dr_opt[84][2] = 0.00670729 
 dr_opt[85][0] = 0.0018077 
 dr_opt[85][1] = 0.0393418 
 dr_opt[85][2] = 0.011466 
 dr_opt[86][0] = 0.0177637 
 dr_opt[86][1] = 0.0553177 
 dr_opt[86][2] = 0.00373231 
 dr_opt[87][0] = 0.015914 
 dr_opt[87][1] = 0.0725985 
 dr_opt[87][2] = 0.00849102 
 dr_opt[88][0] = 0 
 dr_opt[88][1] = 0 
 dr_opt[88][2] = 0 
 dr_opt[89][0] = 0 
 dr_opt[89][1] = 0 
 dr_opt[89][2] = 0 
 dr_opt[90][0] = 0 
 dr_opt[90][1] = 0 
 dr_opt[90][2] = 0 
 dr_opt[91][0] = 0 
 dr_opt[91][1] = 0 
 dr_opt[91][2] = 0 
 dr_opt[92][0] = 0.0299401 
 dr_opt[92][1] = 0.0537992 
 dr_opt[92][2] = 0.0141572 
 dr_opt[93][0] = 0.0260801 
 dr_opt[93][1] = 0.0198138 
 dr_opt[93][2] = 0.00514928 
 dr_opt[94][0] = 0.0186046 
 dr_opt[94][1] = -0.0120149 
 dr_opt[94][2] = 0.0200149 
 dr_opt[95][0] = 0.0147446 
 dr_opt[95][1] = -0.0460002 
 dr_opt[95][2] = 0.0110072 
 dr_opt[96][0] = -0.0334464 
 dr_opt[96][1] = 0.00955243 
 dr_opt[96][2] = -0.0362814 
 dr_opt[97][0] = -0.0433987 
 dr_opt[97][1] = 0.0215728 
 dr_opt[97][2] = -0.0322116 
 dr_opt[98][0] = -0.0329234 
 dr_opt[98][1] = 0.0334984 
 dr_opt[98][2] = -0.037269 
 dr_opt[99][0] = -0.0428756 
 dr_opt[99][1] = 0.0455185 
 dr_opt[99][2] = -0.0331992 
 dr_opt[100][0] = 0 
 dr_opt[100][1] = 0 
 dr_opt[100][2] = 0 
 dr_opt[101][0] = 0 
 dr_opt[101][1] = 0 
 dr_opt[101][2] = 0 
 dr_opt[102][0] = 0 
 dr_opt[102][1] = 0 
 dr_opt[102][2] = 0 
 dr_opt[103][0] = 0 
 dr_opt[103][1] = 0 
 dr_opt[103][2] = 0 
 dr_opt[104][0] = -0.0305373 
 dr_opt[104][1] = 0.00912398 
 dr_opt[104][2] = 0.0478459 
 dr_opt[105][0] = -0.0351949 
 dr_opt[105][1] = 0.0139317 
 dr_opt[105][2] = 0.0494429 
 dr_opt[106][0] = -0.0165432 
 dr_opt[106][1] = 0.0188629 
 dr_opt[106][2] = 0.0471064 
 dr_opt[107][0] = -0.0212008 
 dr_opt[107][1] = 0.0236707 
 dr_opt[107][2] = 0.0487035 
 dr_opt[108][0] = 0 
 dr_opt[108][1] = 0 
 dr_opt[108][2] = 0 
 dr_opt[109][0] = 0 
 dr_opt[109][1] = 0 
 dr_opt[109][2] = 0 
 dr_opt[110][0] = 0 
 dr_opt[110][1] = 0 
 dr_opt[110][2] = 0 
 dr_opt[111][0] = 0 
 dr_opt[111][1] = 0 
 dr_opt[111][2] = 0 
 dr_opt[112][0] = 0 
 dr_opt[112][1] = 0 
 dr_opt[112][2] = 0 
 dr_opt[113][0] = 0 
 dr_opt[113][1] = 0 
 dr_opt[113][2] = 0 
 dr_opt[114][0] = 0 
 dr_opt[114][1] = 0 
 dr_opt[114][2] = 0 
 dr_opt[115][0] = 0 
 dr_opt[115][1] = 0 
 dr_opt[115][2] = 0 
 dr_opt[116][0] = -0.0498244 
 dr_opt[116][1] = 0.0634131 
 dr_opt[116][2] = -0.0549742 
 dr_opt[117][0] = 0.00456878 
 dr_opt[117][1] = 0.0395353 
 dr_opt[117][2] = -0.0631173 
 dr_opt[118][0] = 0.0413065 
 dr_opt[118][1] = 0.0167581 
 dr_opt[118][2] = -0.0541395 
 dr_opt[119][0] = 0.0956997 
 dr_opt[119][1] = -0.00711971 
 dr_opt[119][2] = -0.0622825 
 dr_opt[120][0] = 0.0684259 
 dr_opt[120][1] = -0.0135439 
 dr_opt[120][2] = 0.0191407 
 dr_opt[121][0] = 0.0451873 
 dr_opt[121][1] = 0.0104828 
 dr_opt[121][2] = 0.0252715 
 dr_opt[122][0] = 0.020552 
 dr_opt[122][1] = 0.0327538 
 dr_opt[122][2] = 0.0142677 
 dr_opt[123][0] = -0.0026871 
 dr_opt[123][1] = 0.056781 
 dr_opt[123][2] = 0.0203985 
 dr_opt[124][0] = -0.0658099 
 dr_opt[124][1] = 0.0305523 
 dr_opt[124][2] = 0.0353031 
 dr_opt[125][0] = -0.0450752 
 dr_opt[125][1] = -0.00582176 
 dr_opt[125][2] = 0.0256154 
 dr_opt[126][0] = -0.0221571 
 dr_opt[126][1] = -0.0396805 
 dr_opt[126][2] = 0.041175 
 dr_opt[127][0] = -0.00142241 
 dr_opt[127][1] = -0.0760546 
 dr_opt[127][2] = 0.0314873 
 dr_opt[128][0] = -0.0827652 
 dr_opt[128][1] = 0.0606105 
 dr_opt[128][2] = 0.0404312 
 dr_opt[129][0] = -0.0419021 
 dr_opt[129][1] = 0.0345365 
 dr_opt[129][2] = 0.0324519 
 dr_opt[130][0] = -0.0107374 
 dr_opt[130][1] = 0.00968995 
 dr_opt[130][2] = 0.0431788 
 dr_opt[131][0] = 0.0301257 
 dr_opt[131][1] = -0.0163841 
 dr_opt[131][2] = 0.0351995 
 dr_opt[132][0] = 0 
 dr_opt[132][1] = 0 
 dr_opt[132][2] = 0 
 dr_opt[133][0] = 0 
 dr_opt[133][1] = 0 
 dr_opt[133][2] = 0 
 dr_opt[134][0] = 0 
 dr_opt[134][1] = 0 
 dr_opt[134][2] = 0 
 dr_opt[135][0] = 0 
 dr_opt[135][1] = 0 
 dr_opt[135][2] = 0 
 dr_opt[136][0] = 0 
 dr_opt[136][1] = 0 
 dr_opt[136][2] = 0 
 dr_opt[137][0] = 0 
 dr_opt[137][1] = 0 
 dr_opt[137][2] = 0 
 dr_opt[138][0] = 0 
 dr_opt[138][1] = 0 
 dr_opt[138][2] = 0 
 dr_opt[139][0] = 0 
 dr_opt[139][1] = 0 
 dr_opt[139][2] = 0 
 dr_opt[140][0] = 0 
 dr_opt[140][1] = 0 
 dr_opt[140][2] = 0 
 dr_opt[141][0] = 0 
 dr_opt[141][1] = 0 
 dr_opt[141][2] = 0 
 dr_opt[142][0] = 0 
 dr_opt[142][1] = 0 
 dr_opt[142][2] = 0 
 dr_opt[143][0] = 0 
 dr_opt[143][1] = 0 
 dr_opt[143][2] = 0 
 dr_opt[144][0] = 0 
 dr_opt[144][1] = 0 
 dr_opt[144][2] = 0 
 dr_opt[145][0] = 0 
 dr_opt[145][1] = 0 
 dr_opt[145][2] = 0 
 dr_opt[146][0] = 0 
 dr_opt[146][1] = 0 
 dr_opt[146][2] = 0 
 dr_opt[147][0] = 0 
 dr_opt[147][1] = 0 
 dr_opt[147][2] = 0 
 dr_opt[148][0] = 0 
 dr_opt[148][1] = 0 
 dr_opt[148][2] = 0 
 dr_opt[149][0] = 0 
 dr_opt[149][1] = 0 
 dr_opt[149][2] = 0 
 dr_opt[150][0] = 0 
 dr_opt[150][1] = 0 
 dr_opt[150][2] = 0 
 dr_opt[151][0] = 0 
 dr_opt[151][1] = 0 
 dr_opt[151][2] = 0 
 dr_opt[152][0] = -0.0529498 
 dr_opt[152][1] = -0.0432628 
 dr_opt[152][2] = 0.00459525 
 dr_opt[153][0] = -0.0496782 
 dr_opt[153][1] = -0.00127269 
 dr_opt[153][2] = 0.0178664 
 dr_opt[154][0] = 0.00905888 
 dr_opt[154][1] = 0.0368905 
 dr_opt[154][2] = 0.00224689 
 dr_opt[155][0] = 0.0123299 
 dr_opt[155][1] = 0.0788797 
 dr_opt[155][2] = 0.015518 
 dr_opt[156][0] = 0.0135679 
 dr_opt[156][1] = -0.0293669 
 dr_opt[156][2] = 0.0182236 
 dr_opt[157][0] = 0.037204 
 dr_opt[157][1] = -0.00383898 
 dr_opt[157][2] = 0.0243486 
 dr_opt[158][0] = 0.0336832 
 dr_opt[158][1] = 0.0191357 
 dr_opt[158][2] = 0.0132677 
 dr_opt[159][0] = 0.0573193 
 dr_opt[159][1] = 0.0446636 
 dr_opt[159][2] = 0.0193927 
 n_atoms 160 dr2 0.00298715 opt_time 0.242048 opt_time_old 0.225456
   dr_max_old = 0.055, efficiency_old = 0.234568 / cpu s
   dr_max = 0.05, efficiency = 0.180036 / cpu s
   dr_max = 0.055
   du_max = 0.01375

Adjusting maximum size of molecule moves
 dr_opt[0][0] = 0 
 dr_opt[0][1] = 0 
 dr_opt[0][2] = 0 
 dr_opt[1][0] = 0 
 dr_opt[1][1] = 0 
 dr_opt[1][2] = 0 
 dr_opt[2][0] = 0 
 dr_opt[2][1] = 0 
 dr_opt[2][2] = 0 
 dr_opt[3][0] = 0 
 dr_opt[3][1] = 0 
 dr_opt[3][2] = 0 
 dr_opt[4][0] = -0.00920203 
 dr_opt[4][1] = 0.0342388 
 dr_opt[4][2] = 0.00218267 
 dr_opt[5][0] = -0.0195612 
 dr_opt[5][1] = 0.0349578 
 dr_opt[5][2] = 0.00217178 
 dr_opt[6][0] = -0.0259737 
 dr_opt[6][1] = 0.0356081 
 dr_opt[6][2] = 0.00177997 
 dr_opt[7][0] = -0.0363329 
 dr_opt[7][1] = 0.0363271 
 dr_opt[7][2] = 0.00176908 
 dr_opt[8][0] = 0 
 dr_opt[8][1] = 0 
 dr_opt[8][2] = 0 
 dr_opt[9][0] = 0 
 dr_opt[9][1] = 0 
 dr_opt[9][2] = 0 
 dr_opt[10][0] = 0 
 dr_opt[10][1] = 0 
 dr_opt[10][2] = 0 
 dr_opt[11][0] = 0 
 dr_opt[11][1] = 0 
 dr_opt[11][2] = 0 
 dr_opt[12][0] = -0.0226617 
 dr_opt[12][1] = -0.0463586 
 dr_opt[12][2] = -0.0477657 
 dr_opt[13][0] = 0.0144984 
 dr_opt[13][1] = -0.0209406 
 dr_opt[13][2] = -0.041518 
 dr_opt[14][0] = 0.0191557 
 dr_opt[14][1] = 0.00263922 
 dr_opt[14][2] = -0.0529866 
 dr_opt[15][0] = 0.0563162 
 dr_opt[15][1] = 0.0280577 
 dr_opt[15][2] = -0.0467389 
 dr_opt[16][0] = 0 
 dr_opt[16][1] = 0 
 dr_opt[16][2] = 0 
 dr_opt[17][0] = 0 
 dr_opt[17][1] = 0 
 dr_opt[17][2] = 0 
 dr_opt[18][0] = 0 
 dr_opt[18][1] = 0 
 dr_opt[18][2] = 0 
 dr_opt[19][0] = 0 
 dr_opt[19][1] = 0 
 dr_opt[19][2] = 0 
 dr_opt[20][0] = -0.0300764 
 dr_opt[20][1] = -0.0242594 
 dr_opt[20][2] = -0.0478787 
 dr_opt[21][0] = -0.0156549 
 dr_opt[21][1] = -0.0440062 
 dr_opt[21][2] = -0.0533561 
 dr_opt[22][0] = -0.0189193 
 dr_opt[22][1] = -0.0636357 
 dr_opt[22][2] = -0.0444955 
 dr_opt[23][0] = -0.00449793 
 dr_opt[23][1] = -0.0833825 
 dr_opt[23][2] = -0.0499727 
 dr_opt[24][0] = -0.0225181 
 dr_opt[24][1] = -0.0225457 
 dr_opt[24][2] = 0.0400397 
 dr_opt[25][0] = -0.0062728 
 dr_opt[25][1] = -0.0285342 
 dr_opt[25][2] = 0.0384941 
 dr_opt[26][0] = -0.0134835 
 dr_opt[26][1] = -0.0352349 
 dr_opt[26][2] = 0.0408722 
 dr_opt[27][0] = 0.00276168 
 dr_opt[27][1] = -0.0412234 
 dr_opt[27][2] = 0.0393267 
 dr_opt[28][0] = 0 
 dr_opt[28][1] = 0 
 dr_opt[28][2] = 0 
 dr_opt[29][0] = 0 
 dr_opt[29][1] = 0 
 dr_opt[29][2] = 0 
 dr_opt[30][0] = 0 
 dr_opt[30][1] = 0 
 dr_opt[30][2] = 0 
 dr_opt[31][0] = 0 
 dr_opt[31][1] = 0 
 dr_opt[31][2] = 0 
 dr_opt[32][0] = 0.0898095 
 dr_opt[32][1] = 0.00217463 
 dr_opt[32][2] = -0.00774996 
 dr_opt[33][0] = 0.0539476 
 dr_opt[33][1] = 0.0347673 
 dr_opt[33][2] = 0.00251914 
 dr_opt[34][0] = 0.021883 
 dr_opt[34][1] = 0.0659674 
 dr_opt[34][2] = -0.0107127 
 dr_opt[35][0] = -0.0139797 
 dr_opt[35][1] = 0.0985608 
 dr_opt[35][2] = -0.000443538 
 dr_opt[36][0] = -0.00483445 
 dr_opt[36][1] = -0.0639477 
 dr_opt[36][2] = -0.0504615 
 dr_opt[37][0] = -0.017713 
 dr_opt[37][1] = -0.0153753 
 dr_opt[37][2] = -0.0358265 
 dr_opt[38][0] = -0.0389771 
 dr_opt[38][1] = 0.0312081 
 dr_opt[38][2] = -0.0559651 
 dr_opt[39][0] = -0.051856 
 dr_opt[39][1] = 0.0797815 
 dr_opt[39][2] = -0.0413298 
 dr_opt[40][0] = 0 
 dr_opt[40][1] = 0 
 dr_opt[40][2] = 0 
 dr_opt[41][0] = 0 
 dr_opt[41][1] = 0 
 dr_opt[41][2] = 0 
 dr_opt[42][0] = 0 
 dr_opt[42][1] = 0 
 dr_opt[42][2] = 0 
 dr_opt[43][0] = 0 
 dr_opt[43][1] = 0 
 dr_opt[43][2] = 0 
 dr_opt[44][0] = -0.0754869 
 dr_opt[44][1] = -0.0814156 
 dr_opt[44][2] = -0.0683007 
 dr_opt[45][0] = -0.0276287 
 dr_opt[45][1] = -0.00852044 
 dr_opt[45][2] = -0.048556 
 dr_opt[46][0] = 0.0547042 
 dr_opt[46][1] = 0.0612229 
 dr_opt[46][2] = -0.080244 
 dr_opt[47][0] = 0.102562 
 dr_opt[47][1] = 0.134118 
 dr_opt[47][2] = -0.0604993 
 dr_opt[48][0] = 0 
 dr_opt[48][1] = 0 
 dr_opt[48][2] = 0 
 dr_opt[49][0] = 0 
 dr_opt[49][1] = 0 
 dr_opt[49][2] = 0 
 dr_opt[50][0] = 0 
 dr_opt[50][1] = 0 
 dr_opt[50][2] = 0 
 dr_opt[51][0] = 0 
 dr_opt[51][1] = 0 
 dr_opt[51][2] = 0 
 dr_opt[52][0] = 0 
 dr_opt[52][1] = 0 
 dr_opt[52][2] = 0 
 dr_opt[53][0] = 0 
 dr_opt[53][1] = 0 
 dr_opt[53][2] = 0 
 dr_opt[54][0] = 0 
 dr_opt[54][1] = 0 
 dr_opt[54][2] = 0 
 dr_opt[55][0] = 0 
 dr_opt[55][1] = 0 
 dr_opt[55][2] = 0 
 dr_opt[56][0] = 0.0192934 
 dr_opt[56][1] = 0.0339373 
 dr_opt[56][2] = 0.0516237 
 dr_opt[57][0] = 0.023939 
 dr_opt[57][1] = 0.0248054 
 dr_opt[57][2] = 0.0487951 
 dr_opt[58][0] = 0.0565678 
 dr_opt[58][1] = 0.0153454 
 dr_opt[58][2] = 0.0521921 
 dr_opt[59][0] = 0.0612134 
 dr_opt[59][1] = 0.00621345 
 dr_opt[59][2] = 0.0493635 
 dr_opt[60][0] = 0 
 dr_opt[60][1] = 0 
 dr_opt[60][2] = 0 
 dr_opt[61][0] = 0 
 dr_opt[61][1] = 0 
 dr_opt[61][2] = 0 
 dr_opt[62][0] = 0 
 dr_opt[62][1] = 0 
 dr_opt[62][2] = 0 
 dr_opt[63][0] = 0 
 dr_opt[63][1] = 0 
 dr_opt[63][2] = 0 
 dr_opt[64][0] = 0 
 dr_opt[64][1] = 0 
 dr_opt[64][2] = 0 
 dr_opt[65][0] = 0 
 dr_opt[65][1] = 0 
 dr_opt[65][2] = 0 
 dr_opt[66][0] = 0 
 dr_opt[66][1] = 0 
 dr_opt[66][2] = 0 
 dr_opt[67][0] = 0 
 dr_opt[67][1] = 0 
 dr_opt[67][2] = 0 
 dr_opt[68][0] = 0 
 dr_opt[68][1] = 0 
 dr_opt[68][2] = 0 
 dr_opt[69][0] = 0 
 dr_opt[69][1] = 0 
 dr_opt[69][2] = 0 
 dr_opt[70][0] = 0 
 dr_opt[70][1] = 0 
 dr_opt[70][2] = 0 
 dr_opt[71][0] = 0 
 dr_opt[71][1] = 0 
 dr_opt[71][2] = 0 
 dr_opt[72][0] = -0.0831501 
 dr_opt[72][1] = -0.171488 
 dr_opt[72][2] = -0.0154791 
 dr_opt[73][0] = -0.0224279 
 dr_opt[73][1] = -0.0947822 
 dr_opt[73][2] = 0.0080053 
 dr_opt[74][0] = 0.00129059 
 dr_opt[74][1] = -0.0214794 
 dr_opt[74][2] = -0.0249578 
 dr_opt[75][0] = 0.0620129 
 dr_opt[75][1] = 0.055226 
 dr_opt[75][2] = -0.00147332 
 dr_opt[76][0] = 0 
 dr_opt[76][1] = 0 
 dr_opt[76][2] = 0 
 dr_opt[77][0] = 0 
 dr_opt[77][1] = 0 
 dr_opt[77][2] = 0 
 dr_opt[78][0] = 0 
 dr_opt[78][1] = 0 
 dr_opt[78][2] = 0 
 dr_opt[79][0] = 0 
 dr_opt[79][1] = 0 
 dr_opt[79][2] = 0 
 dr_opt[80][0] = 0.0650368 
 dr_opt[80][1] = -0.0792194 
 dr_opt[80][2] = -0.0562861 
 dr_opt[81][0] = 0.0236436 
 dr_opt[81][1] = -0.0487521 
 dr_opt[81][2] = -0.0474761 
 dr_opt[82][0] = -0.0230391 
 dr_opt[82][1] = -0.019989 
 dr_opt[82][2] = -0.0604305 
 dr_opt[83][0] = -0.0644322 
 dr_opt[83][1] = 0.0104783 
 dr_opt[83][2] = -0.0516206 
 dr_opt[84][0] = -0.00129666 
 dr_opt[84][1] = 0.069429 
 dr_opt[84][2] = 0.0453016 
 dr_opt[85][0] = 0.0228805 
 dr_opt[85][1] = 0.0641596 
 dr_opt[85][2] = 0.0434421 
 dr_opt[86][0] = -0.0198761 
 dr_opt[86][1] = 0.059158 
 dr_opt[86][2] = 0.0465005 
 dr_opt[87][0] = 0.00430111 
 dr_opt[87][1] = 0.0538887 
 dr_opt[87][2] = 0.0446409 
 dr_opt[88][0] = -0.161461 
 dr_opt[88][1] = 0.00905643 
 dr_opt[88][2] = 0.0513927 
 dr_opt[89][0] = -0.0703329 
 dr_opt[89][1] = 0.0556118 
 dr_opt[89][2] = 0.0614221 
 dr_opt[90][0] = -0.030549 
 dr_opt[90][1] = 0.0976495 
 dr_opt[90][2] = 0.041731 
 dr_opt[91][0] = 0.0605803 
 dr_opt[91][1] = 0.144206 
 dr_opt[91][2] = 0.0517602 
 dr_opt[92][0] = 0.0571206 
 dr_opt[92][1] = 0.148144 
 dr_opt[92][2] = 0.0609662 
 dr_opt[93][0] = -0.00749508 
 dr_opt[93][1] = 0.100796 
 dr_opt[93][2] = 0.0455469 
 dr_opt[94][0] = -0.0992512 
 dr_opt[94][1] = 0.0551895 
 dr_opt[94][2] = 0.0618339 
 dr_opt[95][0] = -0.163867 
 dr_opt[95][1] = 0.00784141 
 dr_opt[95][2] = 0.0464149 
 dr_opt[96][0] = 0 
 dr_opt[96][1] = 0 
 dr_opt[96][2] = 0 
 dr_opt[97][0] = 0 
 dr_opt[97][1] = 0 
 dr_opt[97][2] = 0 
 dr_opt[98][0] = 0 
 dr_opt[98][1] = 0 
 dr_opt[98][2] = 0 
 dr_opt[99][0] = 0 
 dr_opt[99][1] = 0 
 dr_opt[99][2] = 0 
 dr_opt[100][0] = 0 
 dr_opt[100][1] = 0 
 dr_opt[100][2] = 0 
 dr_opt[101][0] = 0 
 dr_opt[101][1] = 0 
 dr_opt[101][2] = 0 
 dr_opt[102][0] = 0 
 dr_opt[102][1] = 0 
 dr_opt[102][2] = 0 
 dr_opt[103][0] = 0 
 dr_opt[103][1] = 0 
 dr_opt[103][2] = 0 
 dr_opt[104][0] = -0.0855539 
 dr_opt[104][1] = -0.0494212 
 dr_opt[104][2] = 0.0373132 
 dr_opt[105][0] = -0.0427219 
 dr_opt[105][1] = -0.01694 
 dr_opt[105][2] = 0.0456046 
 dr_opt[106][0] = 0.0153831 
 dr_opt[106][1] = 0.014134 
 dr_opt[106][2] = 0.0301334 
 dr_opt[107][0] = 0.0582152 
 dr_opt[107][1] = 0.0466152 
 dr_opt[107][2] = 0.0384247 
 dr_opt[108][0] = 0 
 dr_opt[108][1] = 0 
 dr_opt[108][2] = 0 
 dr_opt[109][0] = 0 
 dr_opt[109][1] = 0 
 dr_opt[109][2] = 0 
 dr_opt[110][0] = 0 
 dr_opt[110][1] = 0 
 dr_opt[110][2] = 0 
 dr_opt[111][0] = 0 
 dr_opt[111][1] = 0 
 dr_opt[111][2] = 0 
 dr_opt[112][0] = 0 
 dr_opt[112][1] = 0 
 dr_opt[112][2] = 0 
 dr_opt[113][0] = 0 
 dr_opt[113][1] = 0 
 dr_opt[113][2] = 0 
 dr_opt[114][0] = 0 
 dr_opt[114][1] = 0 
 dr_opt[114][2] = 0 
 dr_opt[115][0] = 0 
 dr_opt[115][1] = 0 
 dr_opt[115][2] = 0 
 dr_opt[116][0] = 0 
 dr_opt[116][1] = 0 
 dr_opt[116][2] = 0 
 dr_opt[117][0] = 0 
 dr_opt[117][1] = 0 
 dr_opt[117][2] = 0 
 dr_opt[118][0] = 0 
 dr_opt[118][1] = 0 
 dr_opt[118][2] = 0 
 dr_opt[119][0] = 0 
 dr_opt[119][1] = 0 
 dr_opt[119][2] = 0 
 dr_opt[120][0] = 0.0877994 
 dr_opt[120][1] = 0.0406442 
 dr_opt[120][2] = 0.0420447 
 dr_opt[121][0] = 0.0541606 
 dr_opt[121][1] = -0.00456829 
 dr_opt[121][2] = 0.0298873 
 dr_opt[122][0] = -0.00418275 
 dr_opt[122][1] = -0.0474636 
 dr_opt[122][2] = 0.0483819 
 dr_opt[123][0] = -0.0378225 
 dr_opt[123][1] = -0.092677 
 dr_opt[123][2] = 0.0362245 
 dr_opt[124][0] = -0.0183264 
 dr_opt[124][1] = -0.0654949 
 dr_opt[124][2] = 0.0244082 
 dr_opt[125][0] = 0.021883 
 dr_opt[125][1] = -0.0531658 
 dr_opt[125][2] = 0.0261381 
 dr_opt[126][0] = 0.0384694 
 dr_opt[126][1] = -0.0414465 
 dr_opt[126][2] = 0.0198367 
 dr_opt[127][0] = 0.0786788 
 dr_opt[127][1] = -0.0291174 
 dr_opt[127][2] = 0.0215667 
 dr_opt[128][0] = 0 
 dr_opt[128][1] = 0 
 dr_opt[128][2] = 0 
 dr_opt[129][0] = 0 
 dr_opt[129][1] = 0 
 dr_opt[129][2] = 0 
 dr_opt[130][0] = 0 
 dr_opt[130][1] = 0 
 dr_opt[130][2] = 0 
 dr_opt[131][0] = 0 
 dr_opt[131][1] = 0 
 dr_opt[131][2] = 0 
 dr_opt[132][0] = 0 
 dr_opt[132][1] = 0 
 dr_opt[132][2] = 0 
 dr_opt[133][0] = 0 
 dr_opt[133][1] = 0 
 dr_opt[133][2] = 0 
 dr_opt[134][0] = 0 
 dr_opt[134][1] = 0 
 dr_opt[134][2] = 0 
 dr_opt[135][0] = 0 
 dr_opt[135][1] = 0 
 dr_opt[135][2] = 0 
 dr_opt[136][0] = 0 
 dr_opt[136][1] = 0 
 dr_opt[136][2] = 0 
 dr_opt[137][0] = 0 
 dr_opt[137][1] = 0 
 dr_opt[137][2] = 0 
 dr_opt[138][0] = 0 
 dr_opt[138][1] = 0 
 dr_opt[138][2] = 0 
 dr_opt[139][0] = 0 
 dr_opt[139][1] = 0 
 dr_opt[139][2] = 0 
 dr_opt[140][0] = -0.0133585 
 dr_opt[140][1] = -0.0277203 
 dr_opt[140][2] = 0.0208644 
 dr_opt[141][0] = -0.0254678 
 dr_opt[141][1] = 0.00697902 
 dr_opt[141][2] = 0.0302678 
 dr_opt[142][0] = -0.0647431 
 dr_opt[142][1] = 0.0392087 
 dr_opt[142][2] = 0.0155879 
 dr_opt[143][0] = -0.0768523 
 dr_opt[143][1] = 0.073908 
 dr_opt[143][2] = 0.0249913 
 dr_opt[144][0] = -0.0356847 
 dr_opt[144][1] = -0.0351162 
 dr_opt[144][2] = -0.0118378 
 dr_opt[145][0] = 0.0154108 
 dr_opt[145][1] = -0.0037897 
 dr_opt[145][2] = -0.00180855 
 dr_opt[146][0] = 0.0590289 
 dr_opt[146][1] = 0.0263132 
 dr_opt[146][2] = -0.0143215 
 dr_opt[147][0] = 0.110123 
 dr_opt[147][1] = 0.0576391 
 dr_opt[147][2] = -0.00429243 
 dr_opt[148][0] = 0 
 dr_opt[148][1] = 0 
 dr_opt[148][2] = 0 
 dr_opt[149][0] = 0 
 dr_opt[149][1] = 0 
 dr_opt[149][2] = 0 
 dr_opt[150][0] = 0 
 dr_opt[150][1] = 0 
 dr_opt[150][2] = 0 
 dr_opt[151][0] = 0 
 dr_opt[151][1] = 0 
 dr_opt[151][2] = 0 
 dr_opt[152][0] = 0 
 dr_opt[152][1] = 0 
 dr_opt[152][2] = 0 
 dr_opt[153][0] = 0 
 dr_opt[153][1] = 0 
 dr_opt[153][2] = 0 
 dr_opt[154][0] = 0 
 dr_opt[154][1] = 0 
 dr_opt[154][2] = 0 
 dr_opt[155][0] = 0 
 dr_opt[155][1] = 0 
 dr_opt[155][2] = 0 
 dr_opt[156][0] = 0.216099 
 dr_opt[156][1] = -0.147275 
 dr_opt[156][2] = 0.0102507 
 dr_opt[157][0] = 0.113314 
 dr_opt[157][1] = -0.0559975 
 dr_opt[157][2] = 0.0301142 
 dr_opt[158][0] = 0.0541622 
 dr_opt[158][1] = 0.0279016 
 dr_opt[158][2] = -0.0148588 
 dr_opt[159][0] = -0.0486224 
 dr_opt[159][1] = 0.11918 
 dr_opt[159][2] = 0.00500471 
 n_atoms 160 dr2 0.00436319 opt_time 0.25864 opt_time_old 0.242048
   dr_max_old = 0.05, efficiency_old = 0.180036 / cpu s
   dr_max = 0.055, efficiency = 0.262969 / cpu s
   dr_max = 0.0605
   du_max = 0.015125

Adjusting maximum size of molecule moves
 dr_opt[0][0] = -0.00210414 
 dr_opt[0][1] = 0.0295802 
 dr_opt[0][2] = 0.0867228 
 dr_opt[1][0] = 0.00167804 
 dr_opt[1][1] = 0.0273516 
 dr_opt[1][2] = 0.0860153 
 dr_opt[2][0] = 0.00283538 
 dr_opt[2][1] = 0.0251975 
 dr_opt[2][2] = 0.0869356 
 dr_opt[3][0] = 0.00661762 
 dr_opt[3][1] = 0.0229688 
 dr_opt[3][2] = 0.0862281 
 dr_opt[4][0] = 0 
 dr_opt[4][1] = 0 
 dr_opt[4][2] = 0 
 dr_opt[5][0] = 0 
 dr_opt[5][1] = 0 
 dr_opt[5][2] = 0 
 dr_opt[6][0] = 0 
 dr_opt[6][1] = 0 
 dr_opt[6][2] = 0 
 dr_opt[7][0] = 0 
 dr_opt[7][1] = 0 
 dr_opt[7][2] = 0 
 dr_opt[8][0] = 0.0287471 
 dr_opt[8][1] = 0.0205802 
 dr_opt[8][2] = -0.0370945 
 dr_opt[9][0] = -0.00469333 
 dr_opt[9][1] = -0.00727029 
 dr_opt[9][2] = -0.0450339 
 dr_opt[10][0] = -0.0382803 
 dr_opt[10][1] = -0.0334822 
 dr_opt[10][2] = -0.0337702 
 dr_opt[11][0] = -0.0717201 
 dr_opt[11][1] = -0.0613321 
 dr_opt[11][2] = -0.0417098 
 dr_opt[12][0] = 0.0416697 
 dr_opt[12][1] = 0.100778 
 dr_opt[12][2] = -0.0312413 
 dr_opt[13][0] = -0.00476571 
 dr_opt[13][1] = 0.0945581 
 dr_opt[13][2] = -0.0327135 
 dr_opt[14][0] = -0.00459092 
 dr_opt[14][1] = 0.0885855 
 dr_opt[14][2] = -0.0297776 
 dr_opt[15][0] = -0.0510269 
 dr_opt[15][1] = 0.0823654 
 dr_opt[15][2] = -0.0312498 
 dr_opt[16][0] = -0.00481028 
 dr_opt[16][1] = -0.106143 
 dr_opt[16][2] = -0.0448224 
 dr_opt[17][0] = -0.0185914 
 dr_opt[17][1] = -0.0699257 
 dr_opt[17][2] = -0.0350505 
 dr_opt[18][0] = -0.0290407 
 dr_opt[18][1] = -0.0363835 
 dr_opt[18][2] = -0.0504359 
 dr_opt[19][0] = -0.0428221 
 dr_opt[19][1] = -0.000165686 
 dr_opt[19][2] = -0.0406642 
 dr_opt[20][0] = 0 
 dr_opt[20][1] = 0 
 dr_opt[20][2] = 0 
 dr_opt[21][0] = 0 
 dr_opt[21][1] = 0 
 dr_opt[21][2] = 0 
 dr_opt[22][0] = 0 
 dr_opt[22][1] = 0 
 dr_opt[22][2] = 0 
 dr_opt[23][0] = 0 
 dr_opt[23][1] = 0 
 dr_opt[23][2] = 0 
 dr_opt[24][0] = 0.0202775 
 dr_opt[24][1] = 0.0952462 
 dr_opt[24][2] = -0.0408794 
 dr_opt[25][0] = 0.0269823 
 dr_opt[25][1] = 0.0487219 
 dr_opt[25][2] = -0.0563467 
 dr_opt[26][0] = 0.0411162 
 dr_opt[26][1] = 0.0034365 
 dr_opt[26][2] = -0.0378457 
 dr_opt[27][0] = 0.0478211 
 dr_opt[27][1] = -0.0430877 
 dr_opt[27][2] = -0.0533128 
 dr_opt[28][0] = -0.130886 
 dr_opt[28][1] = -0.00378002 
 dr_opt[28][2] = -0.025038 
 dr_opt[29][0] = -0.0729482 
 dr_opt[29][1] = -0.0124213 
 dr_opt[29][2] = -0.029814 
 dr_opt[30][0] = -0.0353504 
 dr_opt[30][1] = -0.0210867 
 dr_opt[30][2] = -0.0265103 
 dr_opt[31][0] = 0.0225878 
 dr_opt[31][1] = -0.029728 
 dr_opt[31][2] = -0.0312863 
 dr_opt[32][0] = 0.0222903 
 dr_opt[32][1] = 0.057972 
 dr_opt[32][2] = -0.0108552 
 dr_opt[33][0] = 0.00264018 
 dr_opt[33][1] = 0.0328267 
 dr_opt[33][2] = -0.0182026 
 dr_opt[34][0] = 0.0125943 
 dr_opt[34][1] = 0.0087377 
 dr_opt[34][2] = -0.00771881 
 dr_opt[35][0] = -0.00705602 
 dr_opt[35][1] = -0.016408 
 dr_opt[35][2] = -0.0150662 
 dr_opt[36][0] = 0 
 dr_opt[36][1] = 0 
 dr_opt[36][2] = 0 
 dr_opt[37][0] = 0 
 dr_opt[37][1] = 0 
 dr_opt[37][2] = 0 
 dr_opt[38][0] = 0 
 dr_opt[38][1] = 0 
 dr_opt[38][2] = 0 
 dr_opt[39][0] = 0 
 dr_opt[39][1] = 0 
 dr_opt[39][2] = 0 
 dr_opt[40][0] = 0 
 dr_opt[40][1] = 0 
 dr_opt[40][2] = 0 
 dr_opt[41][0] = 0 
 dr_opt[41][1] = 0 
 dr_opt[41][2] = 0 
 dr_opt[42][0] = 0 
 dr_opt[42][1] = 0 
 dr_opt[42][2] = 0 
 dr_opt[43][0] = 0 
 dr_opt[43][1] = 0 
 dr_opt[43][2] = 0 
 dr_opt[44][0] = -0.0609915 
 dr_opt[44][1] = -0.0448192 
 dr_opt[44][2] = -0.00974473 
 dr_opt[45][0] = -0.0406865 
 dr_opt[45][1] = -0.026393 
 dr_opt[45][2] = -0.00571447 
 dr_opt[46][0] = -0.0374917 
 dr_opt[46][1] = -0.00939293 
 dr_opt[46][2] = -0.0139529 
 dr_opt[47][0] = -0.0171868 
 dr_opt[47][1] = 0.00903322 
 dr_opt[47][2] = -0.00992267 
 dr_opt[48][0] = 0.0511318 
 dr_opt[48][1] = -0.0131992 
 dr_opt[48][2] = 0.0531206 
 dr_opt[49][0] = 0.0190488 
 dr_opt[49][1] = 0.0111865 
 dr_opt[49][2] = 0.0590706 
 dr_opt[50][0] = -0.0507442 
 dr_opt[50][1] = 0.0346132 
 dr_opt[50][2] = 0.0475062 
 dr_opt[51][0] = -0.0828271 
 dr_opt[51][1] = 0.0589989 
 dr_opt[51][2] = 0.0534563 
 dr_opt[52][0] = 0.054462 
 dr_opt[52][1] = -0.0321379 
 dr_opt[52][2] = -0.0245726 
 dr_opt[53][0] = 0.0559239 
 dr_opt[53][1] = -0.00374185 
 dr_opt[53][2] = -0.0162704 
 dr_opt[54][0] = 0.0245278 
 dr_opt[54][1] = 0.0220431 
 dr_opt[54][2] = -0.029006 
 dr_opt[55][0] = 0.0259899 
 dr_opt[55][1] = 0.0504386 
 dr_opt[55][2] = -0.0207038 
 dr_opt[56][0] = 0 
 dr_opt[56][1] = 0 
 dr_opt[56][2] = 0 
 dr_opt[57][0] = 0 
 dr_opt[57][1] = 0 
 dr_opt[57][2] = 0 
 dr_opt[58][0] = 0 
 dr_opt[58][1] = 0 
 dr_opt[58][2] = 0 
 dr_opt[59][0] = 0 
 dr_opt[59][1] = 0 
 dr_opt[59][2] = 0 
 dr_opt[60][0] = 0 
 dr_opt[60][1] = 0 
 dr_opt[60][2] = 0 
 dr_opt[61][0] = 0 
 dr_opt[61][1] = 0 
 dr_opt[61][2] = 0 
 dr_opt[62][0] = 0 
 dr_opt[62][1] = 0 
 dr_opt[62][2] = 0 
 dr_opt[63][0] = 0 
 dr_opt[63][1] = 0 
 dr_opt[63][2] = 0 
 dr_opt[64][0] = -0.0182793 
 dr_opt[64][1] = 0.137206 
 dr_opt[64][2] = -0.041982 
 dr_opt[65][0] = 0.0510227 
 dr_opt[65][1] = 0.0529384 
 dr_opt[65][2] = -0.0682687 
 dr_opt[66][0] = 0.0777622 
 dr_opt[66][1] = -0.0286894 
 dr_opt[66][2] = -0.032878 
 dr_opt[67][0] = 0.147065 
 dr_opt[67][1] = -0.112959 
 dr_opt[67][2] = -0.0591647 
 dr_opt[68][0] = 0 
 dr_opt[68][1] = 0 
 dr_opt[68][2] = 0 
 dr_opt[69][0] = 0 
 dr_opt[69][1] = 0 
 dr_opt[69][2] = 0 
 dr_opt[70][0] = 0 
 dr_opt[70][1] = 0 
 dr_opt[70][2] = 0 
 dr_opt[71][0] = 0 
 dr_opt[71][1] = 0 
 dr_opt[71][2] = 0 
 dr_opt[72][0] = 0 
 dr_opt[72][1] = 0 
 dr_opt[72][2] = 0 
 dr_opt[73][0] = 0 
 dr_opt[73][1] = 0 
 dr_opt[73][2] = 0 
 dr_opt[74][0] = 0 
 dr_opt[74][1] = 0 
 dr_opt[74][2] = 0 
 dr_opt[75][0] = 0 
 dr_opt[75][1] = 0 
 dr_opt[75][2] = 0 
 dr_opt[76][0] = 0.108728 
 dr_opt[76][1] = -0.0830244 
 dr_opt[76][2] = -0.0271937 
 dr_opt[77][0] = 0.0910995 
 dr_opt[77][1] = -0.0463158 
 dr_opt[77][2] = -0.0166498 
 dr_opt[78][0] = 0.0758278 
 dr_opt[78][1] = -0.0111865 
 dr_opt[78][2] = -0.0322569 
 dr_opt[79][0] = 0.0581994 
 dr_opt[79][1] = 0.0255213 
 dr_opt[79][2] = -0.0217129 
 dr_opt[80][0] = 0 
 dr_opt[80][1] = 0 
 dr_opt[80][2] = 0 
 dr_opt[81][0] = 0 
 dr_opt[81][1] = 0 
 dr_opt[81][2] = 0 
 dr_opt[82][0] = 0 
 dr_opt[82][1] = 0 
 dr_opt[82][2] = 0 
 dr_opt[83][0] = 0 
 dr_opt[83][1] = 0 
 dr_opt[83][2] = 0 
 dr_opt[84][0] = 0.0145639 
 dr_opt[84][1] = 0.0373334 
 dr_opt[84][2] = -0.0646442 
 dr_opt[85][0] = 0.0482643 
 dr_opt[85][1] = 0.000777123 
 dr_opt[85][2] = -0.076086 
 dr_opt[86][0] = 0.0115681 
 dr_opt[86][1] = -0.0374223 
 dr_opt[86][2] = -0.0591138 
 dr_opt[87][0] = 0.0452684 
 dr_opt[87][1] = -0.0739778 
 dr_opt[87][2] = -0.0705556 
 dr_opt[88][0] = -0.0163628 
 dr_opt[88][1] = 0.0818884 
 dr_opt[88][2] = -0.0132269 
 dr_opt[89][0] = 0.015487 
 dr_opt[89][1] = 0.021837 
 dr_opt[89][2] = -0.0312471 
 dr_opt[90][0] = 0.0792567 
 dr_opt[90][1] = -0.0332918 
 dr_opt[90][2] = -0.00744877 
 dr_opt[91][0] = 0.111108 
 dr_opt[91][1] = -0.0933444 
 dr_opt[91][2] = -0.0254687 
 dr_opt[92][0] = 0.048823 
 dr_opt[92][1] = 0.141695 
 dr_opt[92][2] = 0.00622348 
 dr_opt[93][0] = 0.00223926 
 dr_opt[93][1] = 0.0838388 
 dr_opt[93][2] = -0.0148249 
 dr_opt[94][0] = -0.0479422 
 dr_opt[94][1] = 0.0276653 
 dr_opt[94][2] = 0.00430165 
 dr_opt[95][0] = -0.0945259 
 dr_opt[95][1] = -0.0301908 
 dr_opt[95][2] = -0.0167464 
 dr_opt[96][0] = -0.197408 
 dr_opt[96][1] = -0.0755603 
 dr_opt[96][2] = -0.0123996 
 dr_opt[97][0] = -0.0857775 
 dr_opt[97][1] = -0.0505535 
 dr_opt[97][2] = -0.0103676 
 dr_opt[98][0] = -0.0152338 
 dr_opt[98][1] = -0.0271258 
 dr_opt[98][2] = -0.0228824 
 dr_opt[99][0] = 0.0963949 
 dr_opt[99][1] = -0.00211948 
 dr_opt[99][2] = -0.0208504 
 dr_opt[100][0] = -0.0250778 
 dr_opt[100][1] = 0.0530705 
 dr_opt[100][2] = 0.0494934 
 dr_opt[101][0] = -0.0128772 
 dr_opt[101][1] = 0.0113322 
 dr_opt[101][2] = 0.0371272 
 dr_opt[102][0] = 0.0352643 
 dr_opt[102][1] = -0.0294983 
 dr_opt[102][2] = 0.0550002 
 dr_opt[103][0] = 0.047465 
 dr_opt[103][1] = -0.0712365 
 dr_opt[103][2] = 0.0426339 
 dr_opt[104][0] = 0.0811829 
 dr_opt[104][1] = 0.101858 
 dr_opt[104][2] = 0.00142516 
 dr_opt[105][0] = 0.0532056 
 dr_opt[105][1] = 0.000513124 
 dr_opt[105][2] = -0.0298558 
 dr_opt[106][0] = -0.0254539 
 dr_opt[106][1] = -0.0984634 
 dr_opt[106][2] = 0.0130915 
 dr_opt[107][0] = -0.0534313 
 dr_opt[107][1] = -0.199808 
 dr_opt[107][2] = -0.0181894 
 dr_opt[108][0] = 0.0558706 
 dr_opt[108][1] = 0.0758 
 dr_opt[108][2] = 0.0460402 
 dr_opt[109][0] = 0.0525995 
 dr_opt[109][1] = 0.05396 
 dr_opt[109][2] = 0.0386188 
 dr_opt[110][0] = 0.0460016 
 dr_opt[110][1] = 0.032369 
 dr_opt[110][2] = 0.0469447 
 dr_opt[111][0] = 0.0427306 
 dr_opt[111][1] = 0.0105295 
 dr_opt[111][2] = 0.0395234 
 dr_opt[112][0] = 0 
 dr_opt[112][1] = 0 
 dr_opt[112][2] = 0 
 dr_opt[113][0] = 0 
 dr_opt[113][1] = 0 
 dr_opt[113][2] = 0 
 dr_opt[114][0] = 0 
 dr_opt[114][1] = 0 
 dr_opt[114][2] = 0 
 dr_opt[115][0] = 0 
 dr_opt[115][1] = 0 
 dr_opt[115][2] = 0 
 dr_opt[116][0] = -0.092821 
 dr_opt[116][1] = -0.0973569 
 dr_opt[116][2] = -0.00729821 
 dr_opt[117][0] = -0.0793887 
 dr_opt[117][1] = -0.0487108 
 dr_opt[117][2] = 0.00643675 
 dr_opt[118][0] = -0.0342571 
 dr_opt[118][1] = -0.00276228 
 dr_opt[118][2] = -0.0158322 
 dr_opt[119][0] = -0.0208248 
 dr_opt[119][1] = 0.0458839 
 dr_opt[119][2] = -0.00209727 
 dr_opt[120][0] = 0 
 dr_opt[120][1] = 0 
 dr_opt[120][2] = 0 
 dr_opt[121][0] = 0 
 dr_opt[121][1] = 0 
 dr_opt[121][2] = 0 
 dr_opt[122][0] = 0 
 dr_opt[122][1] = 0 
 dr_opt[122][2] = 0 
 dr_opt[123][0] = 0 
 dr_opt[123][1] = 0 
 dr_opt[123][2] = 0 
 dr_opt[124][0] = 0 
 dr_opt[124][1] = 0 
 dr_opt[124][2] = 0 
 dr_opt[125][0] = 0 
 dr_opt[125][1] = 0 
 dr_opt[125][2] = 0 
 dr_opt[126][0] = 0 
 dr_opt[126][1] = 0 
 dr_opt[126][2] = 0 
 dr_opt[127][0] = 0 
 dr_opt[127][1] = 0 
 dr_opt[127][2] = 0 
 dr_opt[128][0] = -0.0429733 
 dr_opt[128][1] = 0.0450384 
 dr_opt[128][2] = -0.0447927 
 dr_opt[129][0] = -0.0253302 
 dr_opt[129][1] = -0.00585561 
 dr_opt[129][2] = -0.0610982 
 dr_opt[130][0] = -0.0423799 
 dr_opt[130][1] = -0.0556847 
 dr_opt[130][2] = -0.0400422 
 dr_opt[131][0] = -0.0247368 
 dr_opt[131][1] = -0.106579 
 dr_opt[131][2] = -0.0563477 
 dr_opt[132][0] = 0 
 dr_opt[132][1] = 0 
 dr_opt[132][2] = 0 
 dr_opt[133][0] = 0 
 dr_opt[133][1] = 0 
 dr_opt[133][2] = 0 
 dr_opt[134][0] = 0 
 dr_opt[134][1] = 0 
 dr_opt[134][2] = 0 
 dr_opt[135][0] = 0 
 dr_opt[135][1] = 0 
 dr_opt[135][2] = 0 
 dr_opt[136][0] = 0 
 dr_opt[136][1] = 0 
 dr_opt[136][2] = 0 
 dr_opt[137][0] = 0 
 dr_opt[137][1] = 0 
 dr_opt[137][2] = 0 
 dr_opt[138][0] = 0 
 dr_opt[138][1] = 0 
 dr_opt[138][2] = 0 
 dr_opt[139][0] = 0 
 dr_opt[139][1] = 0 
 dr_opt[139][2] = 0 
 dr_opt[140][0] = -0.112353 
 dr_opt[140][1] = -0.11182 
 dr_opt[140][2] = -0.0557127 
 dr_opt[141][0] = -0.0946567 
 dr_opt[141][1] = -0.0713519 
 dr_opt[141][2] = -0.0462035 
 dr_opt[142][0] = -0.0676638 
 dr_opt[142][1] = -0.0338409 
 dr_opt[142][2] = -0.0649814 
 dr_opt[143][0] = -0.0499676 
 dr_opt[143][1] = 0.00662758 
 dr_opt[143][2] = -0.0554721 
 dr_opt[144][0] = 0.0970069 
 dr_opt[144][1] = -0.0274389 
 dr_opt[144][2] = 0.0319548 
 dr_opt[145][0] = 0.0400703 
 dr_opt[145][1] = 0.0178565 
 dr_opt[145][2] = 0.0439625 
 dr_opt[146][0] = 0.0260731 
 dr_opt[146][1] = 0.0600973 
 dr_opt[146][2] = 0.0248681 
 dr_opt[147][0] = -0.0308623 
 dr_opt[147][1] = 0.105392 
 dr_opt[147][2] = 0.0368755 
 dr_opt[148][0] = 0 
 dr_opt[148][1] = 0 
 dr_opt[148][2] = 0 
 dr_opt[149][0] = 0 
 dr_opt[149][1] = 0 
 dr_opt[149][2] = 0 
 dr_opt[150][0] = 0 
 dr_opt[150][1] = 0 
 dr_opt[150][2] = 0 
 dr_opt[151][0] = 0 
 dr_opt[151][1] = 0 
 dr_opt[151][2] = 0 
 dr_opt[152][0] = 0.0796693 
 dr_opt[152][1] = -0.0178496 
 dr_opt[152][2] = -0.0178627 
 dr_opt[153][0] = 0.0438752 
 dr_opt[153][1] = 0.0217661 
 dr_opt[153][2] = -0.00798622 
 dr_opt[154][0] = 0.0331146 
 dr_opt[154][1] = 0.057834 
 dr_opt[154][2] = -0.0237439 
 dr_opt[155][0] = -0.00267899 
 dr_opt[155][1] = 0.0974488 
 dr_opt[155][2] = -0.0138675 
 dr_opt[156][0] = 0 
 dr_opt[156][1] = 0 
 dr_opt[156][2] = 0 
 dr_opt[157][0] = 0 
 dr_opt[157][1] = 0 
 dr_opt[157][2] = 0 
 dr_opt[158][0] = 0 
 dr_opt[158][1] = 0 
 dr_opt[158][2] = 0 
 dr_opt[159][0] = 0 
 dr_opt[159][1] = 0 
 dr_opt[159][2] = 0 
 n_atoms 160 dr2 0.00523541 opt_time 0.27328 opt_time_old 0.25864
   dr_max_old = 0.055, efficiency_old = 0.262969 / cpu s
   dr_max = 0.0605, efficiency = 0.35761 / cpu s
   dr_max = 0.06655
   du_max = 0.0166375

Adjusting maximum size of molecule moves
 dr_opt[0][0] = 0.0730579 
 dr_opt[0][1] = 0.16758 
 dr_opt[0][2] = -0.0596759 
 dr_opt[1][0] = 0.0784613 
 dr_opt[1][1] = 0.0786483 
 dr_opt[1][2] = -0.088822 
 dr_opt[2][0] = 0.104102 
 dr_opt[2][1] = -0.00816823 
 dr_opt[2][2] = -0.0542462 
 dr_opt[3][0] = 0.109505 
 dr_opt[3][1] = -0.0971016 
 dr_opt[3][2] = -0.0833924 
 dr_opt[4][0] = 0 
 dr_opt[4][1] = 0 
 dr_opt[4][2] = 0 
 dr_opt[5][0] = 0 
 dr_opt[5][1] = 0 
 dr_opt[5][2] = 0 
 dr_opt[6][0] = 0 
 dr_opt[6][1] = 0 
 dr_opt[6][2] = 0 
 dr_opt[7][0] = 0 
 dr_opt[7][1] = 0 
 dr_opt[7][2] = 0 
 dr_opt[8][0] = -0.138776 
 dr_opt[8][1] = -0.00678269 
 dr_opt[8][2] = -0.00277892 
 dr_opt[9][0] = -0.0778595 
 dr_opt[9][1] = 0.0373662 
 dr_opt[9][2] = 0.00927063 
 dr_opt[10][0] = -0.0536738 
 dr_opt[10][1] = 0.0776548 
 dr_opt[10][2] = -0.00889525 
 dr_opt[11][0] = 0.00724208 
 dr_opt[11][1] = 0.121803 
 dr_opt[11][2] = 0.00315452 
 dr_opt[12][0] = 0 
 dr_opt[12][1] = 0 
 dr_opt[12][2] = 0 
 dr_opt[13][0] = 0 
 dr_opt[13][1] = 0 
 dr_opt[13][2] = 0 
 dr_opt[14][0] = 0 
 dr_opt[14][1] = 0 
 dr_opt[14][2] = 0 
 dr_opt[15][0] = 0 
 dr_opt[15][1] = 0 
 dr_opt[15][2] = 0 
 dr_opt[16][0] = 0.093463 
 dr_opt[16][1] = 0.0609189 
 dr_opt[16][2] = -0.0494612 
 dr_opt[17][0] = 0.0448564 
 dr_opt[17][1] = 0.0639867 
 dr_opt[17][2] = -0.0477133 
 dr_opt[18][0] = -0.0216609 
 dr_opt[18][1] = 0.0676587 
 dr_opt[18][2] = -0.0462543 
 dr_opt[19][0] = -0.0702689 
 dr_opt[19][1] = 0.0707266 
 dr_opt[19][2] = -0.0445064 
 dr_opt[20][0] = -0.117593 
 dr_opt[20][1] = 0.156033 
 dr_opt[20][2] = 0.0755113 
 dr_opt[21][0] = -0.0786298 
 dr_opt[21][1] = 0.0993592 
 dr_opt[21][2] = 0.0580362 
 dr_opt[22][0] = -0.0489313 
 dr_opt[22][1] = 0.0446234 
 dr_opt[22][2] = 0.082736 
 dr_opt[23][0] = -0.00996814 
 dr_opt[23][1] = -0.0120498 
 dr_opt[23][2] = 0.0652612 
 dr_opt[24][0] = 0.170062 
 dr_opt[24][1] = 0.0884482 
 dr_opt[24][2] = 0.00982324 
 dr_opt[25][0] = 0.113194 
 dr_opt[25][1] = 0.0962514 
 dr_opt[25][2] = 0.0108169 
 dr_opt[26][0] = 0.0863595 
 dr_opt[26][1] = 0.104841 
 dr_opt[26][2] = 0.00614175 
 dr_opt[27][0] = 0.0294922 
 dr_opt[27][1] = 0.112644 
 dr_opt[27][2] = 0.00713532 
 dr_opt[28][0] = 0.145938 
 dr_opt[28][1] = -0.0702592 
 dr_opt[28][2] = 0.0521708 
 dr_opt[29][0] = 0.0323148 
 dr_opt[29][1] = -0.0913306 
 dr_opt[29][2] = 0.0494301 
 dr_opt[30][0] = -0.00858666 
 dr_opt[30][1] = -0.110375 
 dr_opt[30][2] = 0.0588006 
 dr_opt[31][0] = -0.12221 
 dr_opt[31][1] = -0.131446 
 dr_opt[31][2] = 0.0560599 
 dr_opt[32][0] = 0 
 dr_opt[32][1] = 0 
 dr_opt[32][2] = 0 
 dr_opt[33][0] = 0 
 dr_opt[33][1] = 0 
 dr_opt[33][2] = 0 
 dr_opt[34][0] = 0 
 dr_opt[34][1] = 0 
 dr_opt[34][2] = 0 
 dr_opt[35][0] = 0 
 dr_opt[35][1] = 0 
 dr_opt[35][2] = 0 
 dr_opt[36][0] = 0.0272513 
 dr_opt[36][1] = 0.189292 
 dr_opt[36][2] = 0.0626703 
 dr_opt[37][0] = -0.0261744 
 dr_opt[37][1] = 0.0564564 
 dr_opt[37][2] = 0.0181148 
 dr_opt[38][0] = -0.04744 
 dr_opt[38][1] = -0.0732594 
 dr_opt[38][2] = 0.0698409 
 dr_opt[39][0] = -0.100867 
 dr_opt[39][1] = -0.206098 
 dr_opt[39][2] = 0.0252846 
 dr_opt[40][0] = 0 
 dr_opt[40][1] = 0 
 dr_opt[40][2] = 0 
 dr_opt[41][0] = 0 
 dr_opt[41][1] = 0 
 dr_opt[41][2] = 0 
 dr_opt[42][0] = 0 
 dr_opt[42][1] = 0 
 dr_opt[42][2] = 0 
 dr_opt[43][0] = 0 
 dr_opt[43][1] = 0 
 dr_opt[43][2] = 0 
 dr_opt[44][0] = -0.00877144 
 dr_opt[44][1] = 0.0347216 
 dr_opt[44][2] = -0.027814 
 dr_opt[45][0] = -0.030683 
 dr_opt[45][1] = 0.0467636 
 dr_opt[45][2] = -0.0240802 
 dr_opt[46][0] = -0.0334391 
 dr_opt[46][1] = 0.0580708 
 dr_opt[46][2] = -0.0295371 
 dr_opt[47][0] = -0.0553506 
 dr_opt[47][1] = 0.0701128 
 dr_opt[47][2] = -0.0258033 
 dr_opt[48][0] = 0 
 dr_opt[48][1] = 0 
 dr_opt[48][2] = 0 
 dr_opt[49][0] = 0 
 dr_opt[49][1] = 0 
 dr_opt[49][2] = 0 
 dr_opt[50][0] = 0 
 dr_opt[50][1] = 0 
 dr_opt[50][2] = 0 
 dr_opt[51][0] = 0 
 dr_opt[51][1] = 0 
 dr_opt[51][2] = 0 
 dr_opt[52][0] = 0 
 dr_opt[52][1] = 0 
 dr_opt[52][2] = 0 
 dr_opt[53][0] = 0 
 dr_opt[53][1] = 0 
 dr_opt[53][2] = 0 
 dr_opt[54][0] = 0 
 dr_opt[54][1] = 0 
 dr_opt[54][2] = 0 
 dr_opt[55][0] = 0 
 dr_opt[55][1] = 0 
 dr_opt[55][2] = 0 
 dr_opt[56][0] = 0.0656314 
 dr_opt[56][1] = 0.08637 
 dr_opt[56][2] = 0.0257298 
 dr_opt[57][0] = 0.0297284 
 dr_opt[57][1] = 0.0549 
 dr_opt[57][2] = 0.0153677 
 dr_opt[58][0] = 0.0163978 
 dr_opt[58][1] = 0.0234034 
 dr_opt[58][2] = 0.0285101 
 dr_opt[59][0] = -0.0195053 
 dr_opt[59][1] = -0.00806664 
 dr_opt[59][2] = 0.018148 
 dr_opt[60][0] = 0 
 dr_opt[60][1] = 0 
 dr_opt[60][2] = 0 
 dr_opt[61][0] = 0 
 dr_opt[61][1] = 0 
 dr_opt[61][2] = 0 
 dr_opt[62][0] = 0 
 dr_opt[62][1] = 0 
 dr_opt[62][2] = 0 
 dr_opt[63][0] = 0 
 dr_opt[63][1] = 0 
 dr_opt[63][2] = 0 
 dr_opt[64][0] = 0 
 dr_opt[64][1] = 0 
 dr_opt[64][2] = 0 
 dr_opt[65][0] = 0 
 dr_opt[65][1] = 0 
 dr_opt[65][2] = 0 
 dr_opt[66][0] = 0 
 dr_opt[66][1] = 0 
 dr_opt[66][2] = 0 
 dr_opt[67][0] = 0 
 dr_opt[67][1] = 0 
 dr_opt[67][2] = 0 
 dr_opt[68][0] = 0 
 dr_opt[68][1] = 0 
 dr_opt[68][2] = 0 
 dr_opt[69][0] = 0 
 dr_opt[69][1] = 0 
 dr_opt[69][2] = 0 
 dr_opt[70][0] = 0 
 dr_opt[70][1] = 0 
 dr_opt[70][2] = 0 
 dr_opt[71][0] = 0 
 dr_opt[71][1] = 0 
 dr_opt[71][2] = 0 
 dr_opt[72][0] = 0.0100918 
 dr_opt[72][1] = 0.0113283 
 dr_opt[72][2] = -0.0674162 
 dr_opt[73][0] = -0.00562113 
 dr_opt[73][1] = 0.0176635 
 dr_opt[73][2] = -0.0661908 
 dr_opt[74][0] = 0.0014601 
 dr_opt[74][1] = 0.0231272 
 dr_opt[74][2] = -0.0687532 
 dr_opt[75][0] = -0.0142529 
 dr_opt[75][1] = 0.0294624 
 dr_opt[75][2] = -0.0675277 
 dr_opt[76][0] = 0 
 dr_opt[76][1] = 0 
 dr_opt[76][2] = 0 
 dr_opt[77][0] = 0 
 dr_opt[77][1] = 0 
 dr_opt[77][2] = 0 
 dr_opt[78][0] = 0 
 dr_opt[78][1] = 0 
 dr_opt[78][2] = 0 
 dr_opt[79][0] = 0 
 dr_opt[79][1] = 0 
 dr_opt[79][2] = 0 
 dr_opt[80][0] = -0.0452281 
 dr_opt[80][1] = 0.0350229 
 dr_opt[80][2] = 0.0267721 
 dr_opt[81][0] = -0.0224704 
 dr_opt[81][1] = -0.00722055 
 dr_opt[81][2] = 0.0147685 
 dr_opt[82][0] = -0.0381248 
 dr_opt[82][1] = -0.0481581 
 dr_opt[82][2] = 0.0329122 
 dr_opt[83][0] = -0.0153673 
 dr_opt[83][1] = -0.0904015 
 dr_opt[83][2] = 0.0209087 
 dr_opt[84][0] = 0 
 dr_opt[84][1] = 0 
 dr_opt[84][2] = 0 
 dr_opt[85][0] = 0 
 dr_opt[85][1] = 0 
 dr_opt[85][2] = 0 
 dr_opt[86][0] = 0 
 dr_opt[86][1] = 0 
 dr_opt[86][2] = 0 
 dr_opt[87][0] = 0 
 dr_opt[87][1] = 0 
 dr_opt[87][2] = 0 
 dr_opt[88][0] = 0 
 dr_opt[88][1] = 0 
 dr_opt[88][2] = 0 
 dr_opt[89][0] = 0 
 dr_opt[89][1] = 0 
 dr_opt[89][2] = 0 
 dr_opt[90][0] = 0 
 dr_opt[90][1] = 0 
 dr_opt[90][2] = 0 
 dr_opt[91][0] = 0 
 dr_opt[91][1] = 0 
 dr_opt[91][2] = 0 
 dr_opt[92][0] = -0.0406039 
 dr_opt[92][1] = 0.057591 
 dr_opt[92][2] = -0.0111582 
 dr_opt[93][0] = -0.0305092 
 dr_opt[93][1] = 0.0555481 
 dr_opt[93][2] = -0.0111554 
 dr_opt[94][0] = -0.0628726 
 dr_opt[94][1] = 0.0514636 
 dr_opt[94][2] = -0.0129079 
 dr_opt[95][0] = -0.0527783 
 dr_opt[95][1] = 0.0494207 
 dr_opt[95][2] = -0.0129051 
 dr_opt[96][0] = 0.0301942 
 dr_opt[96][1] = 0.0144849 
 dr_opt[96][2] = 0.0454869 
 dr_opt[97][0] = -0.0288894 
 dr_opt[97][1] = -0.0334856 
 dr_opt[97][2] = 0.0342006 
 dr_opt[98][0] = -0.0608657 
 dr_opt[98][1] = -0.0793824 
 dr_opt[98][2] = 0.0547853 
 dr_opt[99][0] = -0.119948 
 dr_opt[99][1] = -0.127352 
 dr_opt[99][2] = 0.0434992 
 dr_opt[100][0] = 0.0281551 
 dr_opt[100][1] = 0.0873415 
 dr_opt[100][2] = -0.00345896 
 dr_opt[101][0] = 0.0345002 
 dr_opt[101][1] = 0.0708388 
 dr_opt[101][2] = -0.00861842 
 dr_opt[102][0] = 0.00623303 
 dr_opt[102][1] = 0.0555135 
 dr_opt[102][2] = -0.00244431 
 dr_opt[103][0] = 0.0125781 
 dr_opt[103][1] = 0.0390109 
 dr_opt[103][2] = -0.00760378 
 dr_opt[104][0] = -0.0207536 
 dr_opt[104][1] = 0.120447 
 dr_opt[104][2] = 0.0447459 
 dr_opt[105][0] = 0.0374908 
 dr_opt[105][1] = 0.054682 
 dr_opt[105][2] = 0.0178346 
 dr_opt[106][0] = 0.126018 
 dr_opt[106][1] = -0.0106871 
 dr_opt[106][2] = 0.038583 
 dr_opt[107][0] = 0.184263 
 dr_opt[107][1] = -0.0764522 
 dr_opt[107][2] = 0.0116717 
 dr_opt[108][0] = 0 
 dr_opt[108][1] = 0 
 dr_opt[108][2] = 0 
 dr_opt[109][0] = 0 
 dr_opt[109][1] = 0 
 dr_opt[109][2] = 0 
 dr_opt[110][0] = 0 
 dr_opt[110][1] = 0 
 dr_opt[110][2] = 0 
 dr_opt[111][0] = 0 
 dr_opt[111][1] = 0 
 dr_opt[111][2] = 0 
 dr_opt[112][0] = 0 
 dr_opt[112][1] = 0 
 dr_opt[112][2] = 0 
 dr_opt[113][0] = 0 
 dr_opt[113][1] = 0 
 dr_opt[113][2] = 0 
 dr_opt[114][0] = 0 
 dr_opt[114][1] = 0 
 dr_opt[114][2] = 0 
 dr_opt[115][0] = 0 
 dr_opt[115][1] = 0 
 dr_opt[115][2] = 0 
 dr_opt[116][0] = 0 
 dr_opt[116][1] = 0 
 dr_opt[116][2] = 0 
 dr_opt[117][0] = 0 
 dr_opt[117][1] = 0 
 dr_opt[117][2] = 0 
 dr_opt[118][0] = 0 
 dr_opt[118][1] = 0 
 dr_opt[118][2] = 0 
 dr_opt[119][0] = 0 
 dr_opt[119][1] = 0 
 dr_opt[119][2] = 0 
 dr_opt[120][0] = -0.0721343 
 dr_opt[120][1] = 0.0360742 
 dr_opt[120][2] = -0.0437284 
 dr_opt[121][0] = -0.0357517 
 dr_opt[121][1] = 0.0521767 
 dr_opt[121][2] = -0.0389793 
 dr_opt[122][0] = 0.0296418 
 dr_opt[122][1] = 0.0680751 
 dr_opt[122][2] = -0.0443747 
 dr_opt[123][0] = 0.0660255 
 dr_opt[123][1] = 0.084178 
 dr_opt[123][2] = -0.0396257 
 dr_opt[124][0] = 0.0331345 
 dr_opt[124][1] = -0.0476764 
 dr_opt[124][2] = 0.0190956 
 dr_opt[125][0] = 0.00240052 
 dr_opt[125][1] = -0.00078899 
 dr_opt[125][2] = 0.03178 
 dr_opt[126][0] = -0.0538077 
 dr_opt[126][1] = 0.0422935 
 dr_opt[126][2] = 0.0124077 
 dr_opt[127][0] = -0.0845415 
 dr_opt[127][1] = 0.0891809 
 dr_opt[127][2] = 0.0250923 
 dr_opt[128][0] = 0.0742177 
 dr_opt[128][1] = 0.0697225 
 dr_opt[128][2] = -0.00816196 
 dr_opt[129][0] = 0.065868 
 dr_opt[129][1] = 0.0212544 
 dr_opt[129][2] = -0.0244153 
 dr_opt[130][0] = 0.0616266 
 dr_opt[130][1] = -0.0263749 
 dr_opt[130][2] = -0.00591781 
 dr_opt[131][0] = 0.0532769 
 dr_opt[131][1] = -0.0748431 
 dr_opt[131][2] = -0.0221712 
 dr_opt[132][0] = -0.118946 
 dr_opt[132][1] = 0.0206921 
 dr_opt[132][2] = 0.0736448 
 dr_opt[133][0] = -0.0146662 
 dr_opt[133][1] = 0.0280028 
 dr_opt[133][2] = 0.0718251 
 dr_opt[134][0] = 0.0678237 
 dr_opt[134][1] = 0.0353443 
 dr_opt[134][2] = 0.064537 
 dr_opt[135][0] = 0.172105 
 dr_opt[135][1] = 0.0426552 
 dr_opt[135][2] = 0.0627172 
 dr_opt[136][0] = 0 
 dr_opt[136][1] = 0 
 dr_opt[136][2] = 0 
 dr_opt[137][0] = 0 
 dr_opt[137][1] = 0 
 dr_opt[137][2] = 0 
 dr_opt[138][0] = 0 
 dr_opt[138][1] = 0 
 dr_opt[138][2] = 0 
 dr_opt[139][0] = 0 
 dr_opt[139][1] = 0 
 dr_opt[139][2] = 0 
 dr_opt[140][0] = 0.0800667 
 dr_opt[140][1] = 0.132346 
 dr_opt[140][2] = -0.0502258 
 dr_opt[141][0] = 0.0346464 
 dr_opt[141][1] = 0.0786159 
 dr_opt[141][2] = -0.0629271 
 dr_opt[142][0] = -0.0270921 
 dr_opt[142][1] = 0.0285387 
 dr_opt[142][2] = -0.0384426 
 dr_opt[143][0] = -0.0725125 
 dr_opt[143][1] = -0.0251916 
 dr_opt[143][2] = -0.0511441 
 dr_opt[144][0] = 0 
 dr_opt[144][1] = 0 
 dr_opt[144][2] = 0 
 dr_opt[145][0] = 0 
 dr_opt[145][1] = 0 
 dr_opt[145][2] = 0 
 dr_opt[146][0] = 0 
 dr_opt[146][1] = 0 
 dr_opt[146][2] = 0 
 dr_opt[147][0] = 0 
 dr_opt[147][1] = 0 
 dr_opt[147][2] = 0 
 dr_opt[148][0] = 0 
 dr_opt[148][1] = 0 
 dr_opt[148][2] = 0 
 dr_opt[149][0] = 0 
 dr_opt[149][1] = 0 
 dr_opt[149][2] = 0 
 dr_opt[150][0] = 0 
 dr_opt[150][1] = 0 
 dr_opt[150][2] = 0 
 dr_opt[151][0] = 0 
 dr_opt[151][1] = 0 
 dr_opt[151][2] = 0 
 dr_opt[152][0] = 0 
 dr_opt[152][1] = 0 
 dr_opt[152][2] = 0 
 dr_opt[153][0] = 0 
 dr_opt[153][1] = 0 
 dr_opt[153][2] = 0 
 dr_opt[154][0] = 0 
 dr_opt[154][1] = 0 
 dr_opt[154][2] = 0 
 dr_opt[155][0] = 0 
 dr_opt[155][1] = 0 
 dr_opt[155][2] = 0 
 dr_opt[156][0] = 0 
 dr_opt[156][1] = 0 
 dr_opt[156][2] = 0 
 dr_opt[157][0] = 0 
 dr_opt[157][1] = 0 
 dr_opt[157][2] = 0 
 dr_opt[158][0] = 0 
 dr_opt[158][1] = 0 
 dr_opt[158][2] = 0 
 dr_opt[159][0] = 0 
 dr_opt[159][1] = 0 
 dr_opt[159][2] = 0 
 n_atoms 160 dr2 0.00640277 opt_time 0.289872 opt_time_old 0.27328
   dr_max_old = 0.0605, efficiency_old = 0.35761 / cpu s
   dr_max = 0.06655, efficiency = 0.385895 / cpu s
   dr_max = 0.073205
   du_max = 0.0183013

Adjusting maximum size of molecule moves
 dr_opt[0][0] = 0 
 dr_opt[0][1] = 0 
 dr_opt[0][2] = 0 
 dr_opt[1][0] = 0 
 dr_opt[1][1] = 0 
 dr_opt[1][2] = 0 
 dr_opt[2][0] = 0 
 dr_opt[2][1] = 0 
 dr_opt[2][2] = 0 
 dr_opt[3][0] = 0 
 dr_opt[3][1] = 0 
 dr_opt[3][2] = 0 
 dr_opt[4][0] = 0 
 dr_opt[4][1] = 0 
 dr_opt[4][2] = 0 
 dr_opt[5][0] = 0 
 dr_opt[5][1] = 0 
 dr_opt[5][2] = 0 
 dr_opt[6][0] = 0 
 dr_opt[6][1] = 0 
 dr_opt[6][2] = 0 
 dr_opt[7][0] = 0 
 dr_opt[7][1] = 0 
 dr_opt[7][2] = 0 
 dr_opt[8][0] = 0 
 dr_opt[8][1] = 0 
 dr_opt[8][2] = 0 
 dr_opt[9][0] = 0 
 dr_opt[9][1] = 0 
 dr_opt[9][2] = 0 
 dr_opt[10][0] = 0 
 dr_opt[10][1] = 0 
 dr_opt[10][2] = 0 
 dr_opt[11][0] = 0 
 dr_opt[11][1] = 0 
 dr_opt[11][2] = 0 
 dr_opt[12][0] = 0 
 dr_opt[12][1] = 0 
 dr_opt[12][2] = 0 
 dr_opt[13][0] = 0 
 dr_opt[13][1] = 0 
 dr_opt[13][2] = 0 
 dr_opt[14][0] = 0 
 dr_opt[14][1] = 0 
 dr_opt[14][2] = 0 
 dr_opt[15][0] = 0 
 dr_opt[15][1] = 0 
 dr_opt[15][2] = 0 
 dr_opt[16][0] = 0.0693635 
 dr_opt[16][1] = -0.10285 
 dr_opt[16][2] = -0.023269 
 dr_opt[17][0] = 0.0549783 
 dr_opt[17][1] = -0.0460774 
 dr_opt[17][2] = -0.0102231 
 dr_opt[18][0] = 0.0899291 
 dr_opt[18][1] = 0.00338249 
 dr_opt[18][2] = -0.0369307 
 dr_opt[19][0] = 0.0755442 
 dr_opt[19][1] = 0.0601566 
 dr_opt[19][2] = -0.0238851 
 dr_opt[20][0] = 0.0442782 
 dr_opt[20][1] = 0.144877 
 dr_opt[20][2] = 0.0584643 
 dr_opt[21][0] = 0.0362882 
 dr_opt[21][1] = 0.117744 
 dr_opt[21][2] = 0.0500034 
 dr_opt[22][0] = 0.00445481 
 dr_opt[22][1] = 0.0893954 
 dr_opt[22][2] = 0.060498 
 dr_opt[23][0] = -0.00353537 
 dr_opt[23][1] = 0.0622632 
 dr_opt[23][2] = 0.0520372 
 dr_opt[24][0] = 0 
 dr_opt[24][1] = 0 
 dr_opt[24][2] = 0 
 dr_opt[25][0] = 0 
 dr_opt[25][1] = 0 
 dr_opt[25][2] = 0 
 dr_opt[26][0] = 0 
 dr_opt[26][1] = 0 
 dr_opt[26][2] = 0 
 dr_opt[27][0] = 0 
 dr_opt[27][1] = 0 
 dr_opt[27][2] = 0 
 dr_opt[28][0] = 0 
 dr_opt[28][1] = 0 
 dr_opt[28][2] = 0 
 dr_opt[29][0] = 0 
 dr_opt[29][1] = 0 
 dr_opt[29][2] = 0 
 dr_opt[30][0] = 0 
 dr_opt[30][1] = 0 
 dr_opt[30][2] = 0 
 dr_opt[31][0] = 0 
 dr_opt[31][1] = 0 
 dr_opt[31][2] = 0 
 dr_opt[32][0] = 0.0663955 
 dr_opt[32][1] = -0.0525731 
 dr_opt[32][2] = -0.00900932 
 dr_opt[33][0] = -0.00992185 
 dr_opt[33][1] = -0.0424895 
 dr_opt[33][2] = -0.00771619 
 dr_opt[34][0] = -0.0249141 
 dr_opt[34][1] = -0.0348506 
 dr_opt[34][2] = -0.0109694 
 dr_opt[35][0] = -0.101233 
 dr_opt[35][1] = -0.0247668 
 dr_opt[35][2] = -0.00967628 
 dr_opt[36][0] = -0.0451512 
 dr_opt[36][1] = -0.109744 
 dr_opt[36][2] = -0.0664418 
 dr_opt[37][0] = -0.00451007 
 dr_opt[37][1] = -0.0419783 
 dr_opt[37][2] = -0.0420003 
 dr_opt[38][0] = 0.00144748 
 dr_opt[38][1] = 0.0250178 
 dr_opt[38][2] = -0.0674807 
 dr_opt[39][0] = 0.0420894 
 dr_opt[39][1] = 0.0927849 
 dr_opt[39][2] = -0.0430388 
 dr_opt[40][0] = 0 
 dr_opt[40][1] = 0 
 dr_opt[40][2] = 0 
 dr_opt[41][0] = 0 
 dr_opt[41][1] = 0 
 dr_opt[41][2] = 0 
 dr_opt[42][0] = 0 
 dr_opt[42][1] = 0 
 dr_opt[42][2] = 0 
 dr_opt[43][0] = 0 
 dr_opt[43][1] = 0 
 dr_opt[43][2] = 0 
 dr_opt[44][0] = 0.0235201 
 dr_opt[44][1] = -0.0090618 
 dr_opt[44][2] = -0.0663935 
 dr_opt[45][0] = 0.0317125 
 dr_opt[45][1] = 0.00592026 
 dr_opt[45][2] = -0.0630332 
 dr_opt[46][0] = 0.0171373 
 dr_opt[46][1] = 0.0194842 
 dr_opt[46][2] = -0.0694574 
 dr_opt[47][0] = 0.0253298 
 dr_opt[47][1] = 0.0344662 
 dr_opt[47][2] = -0.0660971 
 dr_opt[48][0] = 0 
 dr_opt[48][1] = 0 
 dr_opt[48][2] = 0 
 dr_opt[49][0] = 0 
 dr_opt[49][1] = 0 
 dr_opt[49][2] = 0 
 dr_opt[50][0] = 0 
 dr_opt[50][1] = 0 
 dr_opt[50][2] = 0 
 dr_opt[51][0] = 0 
 dr_opt[51][1] = 0 
 dr_opt[51][2] = 0 
 dr_opt[52][0] = 0 
 dr_opt[52][1] = 0 
 dr_opt[52][2] = 0 
 dr_opt[53][0] = 0 
 dr_opt[53][1] = 0 
 dr_opt[53][2] = 0 
 dr_opt[54][0] = 0 
 dr_opt[54][1] = 0 
 dr_opt[54][2] = 0 
 dr_opt[55][0] = 0 
 dr_opt[55][1] = 0 
 dr_opt[55][2] = 0 
 dr_opt[56][0] = -0.132258 
 dr_opt[56][1] = -0.0795528 
 dr_opt[56][2] = -0.0335074 
 dr_opt[57][0] = -0.0390856 
 dr_opt[57][1] = -0.052376 
 dr_opt[57][2] = -0.0254735 
 dr_opt[58][0] = 0.104165 
 dr_opt[58][1] = -0.0296051 
 dr_opt[58][2] = -0.0430325 
 dr_opt[59][0] = 0.197338 
 dr_opt[59][1] = -0.00242823 
 dr_opt[59][2] = -0.0349986 
 dr_opt[60][0] = 0 
 dr_opt[60][1] = 0 
 dr_opt[60][2] = 0 
 dr_opt[61][0] = 0 
 dr_opt[61][1] = 0 
 dr_opt[61][2] = 0 
 dr_opt[62][0] = 0 
 dr_opt[62][1] = 0 
 dr_opt[62][2] = 0 
 dr_opt[63][0] = 0 
 dr_opt[63][1] = 0 
 dr_opt[63][2] = 0 
 dr_opt[64][0] = 0.0885921 
 dr_opt[64][1] = -0.0083368 
 dr_opt[64][2] = -0.023225 
 dr_opt[65][0] = 0.0271689 
 dr_opt[65][1] = -0.0115682 
 dr_opt[65][2] = -0.0230131 
 dr_opt[66][0] = -0.0302731 
 dr_opt[66][1] = -0.0146231 
 dr_opt[66][2] = -0.0222148 
 dr_opt[67][0] = -0.0916976 
 dr_opt[67][1] = -0.0178546 
 dr_opt[67][2] = -0.0220028 
 dr_opt[68][0] = 0.0112991 
 dr_opt[68][1] = -0.0286763 
 dr_opt[68][2] = -0.0235823 
 dr_opt[69][0] = -0.0180969 
 dr_opt[69][1] = 0.0031332 
 dr_opt[69][2] = -0.0150524 
 dr_opt[70][0] = -0.0786411 
 dr_opt[70][1] = 0.0328992 
 dr_opt[70][2] = -0.0300835 
 dr_opt[71][0] = -0.108038 
 dr_opt[71][1] = 0.0647093 
 dr_opt[71][2] = -0.0215536 
 dr_opt[72][0] = 0 
 dr_opt[72][1] = 0 
 dr_opt[72][2] = 0 
 dr_opt[73][0] = 0 
 dr_opt[73][1] = 0 
 dr_opt[73][2] = 0 
 dr_opt[74][0] = 0 
 dr_opt[74][1] = 0 
 dr_opt[74][2] = 0 
 dr_opt[75][0] = 0 
 dr_opt[75][1] = 0 
 dr_opt[75][2] = 0 
 dr_opt[76][0] = 0.0299787 
 dr_opt[76][1] = 0.0236918 
 dr_opt[76][2] = 0.0273348 
 dr_opt[77][0] = 0.0156531 
 dr_opt[77][1] = 0.0605624 
 dr_opt[77][2] = 0.0371143 
 dr_opt[78][0] = -0.0515791 
 dr_opt[78][1] = 0.0940341 
 dr_opt[78][2] = 0.0187222 
 dr_opt[79][0] = -0.065904 
 dr_opt[79][1] = 0.130904 
 dr_opt[79][2] = 0.0285017 
 dr_opt[80][0] = 0.100154 
 dr_opt[80][1] = 0.209076 
 dr_opt[80][2] = 0.0162092 
 dr_opt[81][0] = 0.0746818 
 dr_opt[81][1] = 0.120667 
 dr_opt[81][2] = -0.0120739 
 dr_opt[82][0] = 0.111408 
 dr_opt[82][1] = 0.0356561 
 dr_opt[82][2] = 0.0230124 
 dr_opt[83][0] = 0.085936 
 dr_opt[83][1] = -0.0527532 
 dr_opt[83][2] = -0.00527028 
 dr_opt[84][0] = 0.0448453 
 dr_opt[84][1] = -0.0564223 
 dr_opt[84][2] = 0.0202168 
 dr_opt[85][0] = 0.0532982 
 dr_opt[85][1] = -0.0592792 
 dr_opt[85][2] = 0.0190046 
 dr_opt[86][0] = 0.0527738 
 dr_opt[86][1] = -0.0627058 
 dr_opt[86][2] = 0.0204876 
 dr_opt[87][0] = 0.0612266 
 dr_opt[87][1] = -0.0655627 
 dr_opt[87][2] = 0.0192755 
 dr_opt[88][0] = 0.0477646 
 dr_opt[88][1] = 0.0207652 
 dr_opt[88][2] = -0.0484737 
 dr_opt[89][0] = 0.00448317 
 dr_opt[89][1] = 0.0123415 
 dr_opt[89][2] = -0.0485325 
 dr_opt[90][0] = -0.0155816 
 dr_opt[90][1] = 0.00474627 
 dr_opt[90][2] = -0.0443576 
 dr_opt[91][0] = -0.0588635 
 dr_opt[91][1] = -0.00367765 
 dr_opt[91][2] = -0.0444163 
 dr_opt[92][0] = -0.0524063 
 dr_opt[92][1] = 0.0646648 
 dr_opt[92][2] = -0.0540282 
 dr_opt[93][0] = -0.0493157 
 dr_opt[93][1] = -0.0451235 
 dr_opt[93][2] = -0.0942404 
 dr_opt[94][0] = 0.0102788 
 dr_opt[94][1] = -0.152546 
 dr_opt[94][2] = -0.0497201 
 dr_opt[95][0] = 0.0133698 
 dr_opt[95][1] = -0.262334 
 dr_opt[95][2] = -0.0899316 
 dr_opt[96][0] = 0.0552859 
 dr_opt[96][1] = 0.0488382 
 dr_opt[96][2] = 0.0218561 
 dr_opt[97][0] = 0.0385814 
 dr_opt[97][1] = 0.0463921 
 dr_opt[97][2] = 0.0218025 
 dr_opt[98][0] = -0.0175677 
 dr_opt[98][1] = 0.0428219 
 dr_opt[98][2] = 0.0245458 
 dr_opt[99][0] = -0.0342718 
 dr_opt[99][1] = 0.0403759 
 dr_opt[99][2] = 0.0244922 
 dr_opt[100][0] = 0 
 dr_opt[100][1] = 0 
 dr_opt[100][2] = 0 
 dr_opt[101][0] = 0 
 dr_opt[101][1] = 0 
 dr_opt[101][2] = 0 
 dr_opt[102][0] = 0 
 dr_opt[102][1] = 0 
 dr_opt[102][2] = 0 
 dr_opt[103][0] = 0 
 dr_opt[103][1] = 0 
 dr_opt[103][2] = 0 
 dr_opt[104][0] = 0.0626705 
 dr_opt[104][1] = -0.125344 
 dr_opt[104][2] = 0.0274892 
 dr_opt[105][0] = 0.0373039 
 dr_opt[105][1] = -0.0628025 
 dr_opt[105][2] = 0.0519933 
 dr_opt[106][0] = -0.0293083 
 dr_opt[106][1] = -0.00099803 
 dr_opt[106][2] = 0.0322914 
 dr_opt[107][0] = -0.054675 
 dr_opt[107][1] = 0.0615438 
 dr_opt[107][2] = 0.0567955 
 dr_opt[108][0] = -0.0521758 
 dr_opt[108][1] = 0.0157946 
 dr_opt[108][2] = -0.0539593 
 dr_opt[109][0] = -0.00530726 
 dr_opt[109][1] = 0.0294992 
 dr_opt[109][2] = -0.050277 
 dr_opt[110][0] = 0.0232682 
 dr_opt[110][1] = 0.0425487 
 dr_opt[110][2] = -0.0553508 
 dr_opt[111][0] = 0.0701359 
 dr_opt[111][1] = 0.0562531 
 dr_opt[111][2] = -0.0516686 
 dr_opt[112][0] = -0.0859782 
 dr_opt[112][1] = -0.0530938 
 dr_opt[112][2] = -0.00201699 
 dr_opt[113][0] = -0.0429372 
 dr_opt[113][1] = -0.05116 
 dr_opt[113][2] = -0.00261602 
 dr_opt[114][0] = 0.0111656 
 dr_opt[114][1] = -0.0497137 
 dr_opt[114][2] = -0.00572922 
 dr_opt[115][0] = 0.0542067 
 dr_opt[115][1] = -0.0477799 
 dr_opt[115][2] = -0.00632825 
 dr_opt[116][0] = 0 
 dr_opt[116][1] = 0 
 dr_opt[116][2] = 0 
 dr_opt[117][0] = 0 
 dr_opt[117][1] = 0 
 dr_opt[117][2] = 0 
 dr_opt[118][0] = 0 
 dr_opt[118][1] = 0 
 dr_opt[118][2] = 0 
 dr_opt[119][0] = 0 
 dr_opt[119][1] = 0 
 dr_opt[119][2] = 0 
 dr_opt[120][0] = 0.15843 
 dr_opt[120][1] = 0.0097943 
 dr_opt[120][2] = 0.0613245 
 dr_opt[121][0] = 0.0586872 
 dr_opt[121][1] = -0.00398825 
 dr_opt[121][2] = 0.0547916 
 dr_opt[122][0] = -0.00835964 
 dr_opt[122][1] = -0.016807 
 dr_opt[122][2] = 0.0586794 
 dr_opt[123][0] = -0.108104 
 dr_opt[123][1] = -0.0305898 
 dr_opt[123][2] = 0.0521465 
 dr_opt[124][0] = 0.0179154 
 dr_opt[124][1] = -0.0192672 
 dr_opt[124][2] = 0.0388311 
 dr_opt[125][0] = 0.041881 
 dr_opt[125][1] = -0.0413063 
 dr_opt[125][2] = 0.0326879 
 dr_opt[126][0] = 0.0848859 
 dr_opt[126][1] = -0.0613516 
 dr_opt[126][2] = 0.0414474 
 dr_opt[127][0] = 0.108851 
 dr_opt[127][1] = -0.0833906 
 dr_opt[127][2] = 0.0353041 
 dr_opt[128][0] = 0 
 dr_opt[128][1] = 0 
 dr_opt[128][2] = 0 
 dr_opt[129][0] = 0 
 dr_opt[129][1] = 0 
 dr_opt[129][2] = 0 
 dr_opt[130][0] = 0 
 dr_opt[130][1] = 0 
 dr_opt[130][2] = 0 
 dr_opt[131][0] = 0 
 dr_opt[131][1] = 0 
 dr_opt[131][2] = 0 
 dr_opt[132][0] = 0 
 dr_opt[132][1] = 0 
 dr_opt[132][2] = 0 
 dr_opt[133][0] = 0 
 dr_opt[133][1] = 0 
 dr_opt[133][2] = 0 
 dr_opt[134][0] = 0 
 dr_opt[134][1] = 0 
 dr_opt[134][2] = 0 
 dr_opt[135][0] = 0 
 dr_opt[135][1] = 0 
 dr_opt[135][2] = 0 
 dr_opt[136][0] = 0.0103505 
 dr_opt[136][1] = 0.0761583 
 dr_opt[136][2] = -0.00402 
 dr_opt[137][0] = 0.0469922 
 dr_opt[137][1] = 0.0144055 
 dr_opt[137][2] = -0.0247382 
 dr_opt[138][0] = 0.0596061 
 dr_opt[138][1] = -0.045701 
 dr_opt[138][2] = -0.000462817 
 dr_opt[139][0] = 0.0962478 
 dr_opt[139][1] = -0.107454 
 dr_opt[139][2] = -0.021181 
 dr_opt[140][0] = 0.0030271 
 dr_opt[140][1] = 0.0172197 
 dr_opt[140][2] = -0.0143424 
 dr_opt[141][0] = -0.0147378 
 dr_opt[141][1] = 0.0468316 
 dr_opt[141][2] = -0.00687951 
 dr_opt[142][0] = 0.00134671 
 dr_opt[142][1] = 0.0748014 
 dr_opt[142][2] = -0.0201514 
 dr_opt[143][0] = -0.0164182 
 dr_opt[143][1] = 0.104413 
 dr_opt[143][2] = -0.0126885 
 dr_opt[144][0] = 0 
 dr_opt[144][1] = 0 
 dr_opt[144][2] = 0 
 dr_opt[145][0] = 0 
 dr_opt[145][1] = 0 
 dr_opt[145][2] = 0 
 dr_opt[146][0] = 0 
 dr_opt[146][1] = 0 
 dr_opt[146][2] = 0 
 dr_opt[147][0] = 0 
 dr_opt[147][1] = 0 
 dr_opt[147][2] = 0 
 dr_opt[148][0] = 0 
 dr_opt[148][1] = 0 
 dr_opt[148][2] = 0 
 dr_opt[149][0] = 0 
 dr_opt[149][1] = 0 
 dr_opt[149][2] = 0 
 dr_opt[150][0] = 0 
 dr_opt[150][1] = 0 
 dr_opt[150][2] = 0 
 dr_opt[151][0] = 0 
 dr_opt[151][1] = 0 
 dr_opt[151][2] = 0 
 dr_opt[152][0] = 0.0300446 
 dr_opt[152][1] = 0.0618444 
 dr_opt[152][2] = -0.0139247 
 dr_opt[153][0] = 0.00305988 
 dr_opt[153][1] = 0.0313452 
 dr_opt[153][2] = -0.0243573 
 dr_opt[154][0] = -0.00777569 
 dr_opt[154][1] = 0.00094244 
 dr_opt[154][2] = -0.0109061 
 dr_opt[155][0] = -0.03476 
 dr_opt[155][1] = -0.0295561 
 dr_opt[155][2] = -0.0213387 
 dr_opt[156][0] = 0.0186772 
 dr_opt[156][1] = 0.033171 
 dr_opt[156][2] = -0.00386172 
 dr_opt[157][0] = -0.0228115 
 dr_opt[157][1] = 0.016067 
 dr_opt[157][2] = -0.00905641 
 dr_opt[158][0] = -0.0566978 
 dr_opt[158][1] = 0.000780864 
 dr_opt[158][2] = -0.00245899 
 dr_opt[159][0] = -0.0981866 
 dr_opt[159][1] = -0.0163232 
 dr_opt[159][2] = -0.00765368 
 n_atoms 160 dr2 0.00566362 opt_time 0.305488 opt_time_old 0.289872
   dr_max_old = 0.06655, efficiency_old = 0.385895 / cpu s
   dr_max = 0.073205, efficiency = 0.362681 / cpu s
   dr_max = 0.06655
   du_max = 0.0166375

Adjusting maximum size of molecule moves
 dr_opt[0][0] = 0 
 dr_opt[0][1] = 0 
 dr_opt[0][2] = 0 
 dr_opt[1][0] = 0 
 dr_opt[1][1] = 0 
 dr_opt[1][2] = 0 
 dr_opt[2][0] = 0 
 dr_opt[2][1] = 0 
 dr_opt[2][2] = 0 
 dr_opt[3][0] = 0 
 dr_opt[3][1] = 0 
 dr_opt[3][2] = 0 
 dr_opt[4][0] = 0 
 dr_opt[4][1] = 0 
 dr_opt[4][2] = 0 
 dr_opt[5][0] = 0 
 dr_opt[5][1] = 0 
 dr_opt[5][2] = 0 
 dr_opt[6][0] = 0 
 dr_opt[6][1] = 0 
 dr_opt[6][2] = 0 
 dr_opt[7][0] = 0 
 dr_opt[7][1] = 0 
 dr_opt[7][2] = 0 
 dr_opt[8][0] = 0 
 dr_opt[8][1] = 0 
 dr_opt[8][2] = 0 
 dr_opt[9][0] = 0 
 dr_opt[9][1] = 0 
 dr_opt[9][2] = 0 
 dr_opt[10][0] = 0 
 dr_opt[10][1] = 0 
 dr_opt[10][2] = 0 
 dr_opt[11][0] = 0 
 dr_opt[11][1] = 0 
 dr_opt[11][2] = 0 
 dr_opt[12][0] = 0 
 dr_opt[12][1] = 0 
 dr_opt[12][2] = 0 
 dr_opt[13][0] = 0 
 dr_opt[13][1] = 0 
 dr_opt[13][2] = 0 
 dr_opt[14][0] = 0 
 dr_opt[14][1] = 0 
 dr_opt[14][2] = 0 
 dr_opt[15][0] = 0 
 dr_opt[15][1] = 0 
 dr_opt[15][2] = 0 
 dr_opt[16][0] = 0 
 dr_opt[16][1] = 0 
 dr_opt[16][2] = 0 
 dr_opt[17][0] = 0 
 dr_opt[17][1] = 0 
 dr_opt[17][2] = 0 
 dr_opt[18][0] = 0 
 dr_opt[18][1] = 0 
 dr_opt[18][2] = 0 
 dr_opt[19][0] = 0 
 dr_opt[19][1] = 0 
 dr_opt[19][2] = 0 
 dr_opt[20][0] = 0 
 dr_opt[20][1] = 0 
 dr_opt[20][2] = 0 
 dr_opt[21][0] = 0 
 dr_opt[21][1] = 0 
 dr_opt[21][2] = 0 
 dr_opt[22][0] = 0 
 dr_opt[22][1] = 0 
 dr_opt[22][2] = 0 
 dr_opt[23][0] = 0 
 dr_opt[23][1] = 0 
 dr_opt[23][2] = 0 
 dr_opt[24][0] = 0 
 dr_opt[24][1] = 0 
 dr_opt[24][2] = 0 
 dr_opt[25][0] = 0 
 dr_opt[25][1] = 0 
 dr_opt[25][2] = 0 
 dr_opt[26][0] = 0 
 dr_opt[26][1] = 0 
 dr_opt[26][2] = 0 
 dr_opt[27][0] = 0 
 dr_opt[27][1] = 0 
 dr_opt[27][2] = 0 
 dr_opt[28][0] = 0 
 dr_opt[28][1] = 0 
 dr_opt[28][2] = 0 
 dr_opt[29][0] = 0 
 dr_opt[29][1] = 0 
 dr_opt[29][2] = 0 
 dr_opt[30][0] = 0 
 dr_opt[30][1] = 0 
 dr_opt[30][2] = 0 
 dr_opt[31][0] = 0 
 dr_opt[31][1] = 0 
 dr_opt[31][2] = 0 
 dr_opt[32][0] = 0 
 dr_opt[32][1] = 0 
 dr_opt[32][2] = 0 
 dr_opt[33][0] = 0 
 dr_opt[33][1] = 0 
 dr_opt[33][2] = 0 
 dr_opt[34][0] = 0 
 dr_opt[34][1] = 0 
 dr_opt[34][2] = 0 
 dr_opt[35][0] = 0 
 dr_opt[35][1] = 0 
 dr_opt[35][2] = 0 
 dr_opt[36][0] = 0.0500946 
 dr_opt[36][1] = 0.0908449 
 dr_opt[36][2] = -0.0145297 
 dr_opt[37][0] = -0.00144025 
 dr_opt[37][1] = 0.0510582 
 dr_opt[37][2] = -0.0293811 
 dr_opt[38][0] = -0.0467805 
 dr_opt[38][1] = 0.0120112 
 dr_opt[38][2] = -0.0156947 
 dr_opt[39][0] = -0.0983165 
 dr_opt[39][1] = -0.0277763 
 dr_opt[39][2] = -0.0305464 
 dr_opt[40][0] = 0 
 dr_opt[40][1] = 0 
 dr_opt[40][2] = 0 
 dr_opt[41][0] = 0 
 dr_opt[41][1] = 0 
 dr_opt[41][2] = 0 
 dr_opt[42][0] = 0 
 dr_opt[42][1] = 0 
 dr_opt[42][2] = 0 
 dr_opt[43][0] = 0 
 dr_opt[43][1] = 0 
 dr_opt[43][2] = 0 
 dr_opt[44][0] = 0 
 dr_opt[44][1] = 0 
 dr_opt[44][2] = 0 
 dr_opt[45][0] = 0 
 dr_opt[45][1] = 0 
 dr_opt[45][2] = 0 
 dr_opt[46][0] = 0 
 dr_opt[46][1] = 0 
 dr_opt[46][2] = 0 
 dr_opt[47][0] = 0 
 dr_opt[47][1] = 0 
 dr_opt[47][2] = 0 
 dr_opt[48][0] = -0.0622855 
 dr_opt[48][1] = 0.0392342 
 dr_opt[48][2] = 0.0201751 
 dr_opt[49][0] = -0.0519659 
 dr_opt[49][1] = 0.0347511 
 dr_opt[49][2] = 0.0192495 
 dr_opt[50][0] = -0.0632192 
 dr_opt[50][1] = 0.0303523 
 dr_opt[50][2] = 0.020959 
 dr_opt[51][0] = -0.0528996 
 dr_opt[51][1] = 0.0258692 
 dr_opt[51][2] = 0.0200334 
 dr_opt[52][0] = 0 
 dr_opt[52][1] = 0 
 dr_opt[52][2] = 0 
 dr_opt[53][0] = 0 
 dr_opt[53][1] = 0 
 dr_opt[53][2] = 0 
 dr_opt[54][0] = 0 
 dr_opt[54][1] = 0 
 dr_opt[54][2] = 0 
 dr_opt[55][0] = 0 
 dr_opt[55][1] = 0 
 dr_opt[55][2] = 0 
 dr_opt[56][0] = 0.0189599 
 dr_opt[56][1] = -0.00602501 
 dr_opt[56][2] = -0.0484737 
 dr_opt[57][0] = 0.02551 
 dr_opt[57][1] = -0.045246 
 dr_opt[57][2] = -0.0614791 
 dr_opt[58][0] = -0.00033064 
 dr_opt[58][1] = -0.080935 
 dr_opt[58][2] = -0.0448 
 dr_opt[59][0] = 0.00621941 
 dr_opt[59][1] = -0.120156 
 dr_opt[59][2] = -0.0578054 
 dr_opt[60][0] = -0.0170519 
 dr_opt[60][1] = 0.0629474 
 dr_opt[60][2] = -0.0332541 
 dr_opt[61][0] = 0.0447248 
 dr_opt[61][1] = 0.0294005 
 dr_opt[61][2] = -0.0439254 
 dr_opt[62][0] = 0.0823024 
 dr_opt[62][1] = -0.00272825 
 dr_opt[62][2] = -0.0300554 
 dr_opt[63][0] = 0.144078 
 dr_opt[63][1] = -0.0362744 
 dr_opt[63][2] = -0.0407265 
 dr_opt[64][0] = -0.0539517 
 dr_opt[64][1] = -0.058297 
 dr_opt[64][2] = -0.0187082 
 dr_opt[65][0] = -0.0486366 
 dr_opt[65][1] = -0.0255235 
 dr_opt[65][2] = -0.00846767 
 dr_opt[66][0] = -0.0642398 
 dr_opt[66][1] = 0.00524005 
 dr_opt[66][2] = -0.0216803 
 dr_opt[67][0] = -0.0589248 
 dr_opt[67][1] = 0.0380142 
 dr_opt[67][2] = -0.0114397 
 dr_opt[68][0] = 0 
 dr_opt[68][1] = 0 
 dr_opt[68][2] = 0 
 dr_opt[69][0] = 0 
 dr_opt[69][1] = 0 
 dr_opt[69][2] = 0 
 dr_opt[70][0] = 0 
 dr_opt[70][1] = 0 
 dr_opt[70][2] = 0 
 dr_opt[71][0] = 0 
 dr_opt[71][1] = 0 
 dr_opt[71][2] = 0 
 dr_opt[72][0] = 0.0259325 
 dr_opt[72][1] = 0.0337391 
 dr_opt[72][2] = -0.0564481 
 dr_opt[73][0] = 0.0318717 
 dr_opt[73][1] = 0.0211167 
 dr_opt[73][2] = -0.0595181 
 dr_opt[74][0] = 0.0373432 
 dr_opt[74][1] = 0.00936749 
 dr_opt[74][2] = -0.0538447 
 dr_opt[75][0] = 0.0432824 
 dr_opt[75][1] = -0.00325493 
 dr_opt[75][2] = -0.0569147 
 dr_opt[76][0] = 0.126246 
 dr_opt[76][1] = 0.0198712 
 dr_opt[76][2] = -0.0227215 
 dr_opt[77][0] = 0.0826838 
 dr_opt[77][1] = 0.0241813 
 dr_opt[77][2] = -0.0234607 
 dr_opt[78][0] = 0.019936 
 dr_opt[78][1] = 0.0270362 
 dr_opt[78][2] = -0.0299659 
 dr_opt[79][0] = -0.0236254 
 dr_opt[79][1] = 0.0313463 
 dr_opt[79][2] = -0.030705 
 dr_opt[80][0] = -0.0323296 
 dr_opt[80][1] = 0.0614687 
 dr_opt[80][2] = 0.00574054 
 dr_opt[81][0] = -0.0322286 
 dr_opt[81][1] = 0.0223847 
 dr_opt[81][2] = -0.00824195 
 dr_opt[82][0] = -0.0547621 
 dr_opt[82][1] = -0.0165524 
 dr_opt[82][2] = 0.00604619 
 dr_opt[83][0] = -0.0546613 
 dr_opt[83][1] = -0.0556364 
 dr_opt[83][2] = -0.00793608 
 dr_opt[84][0] = 0.0246015 
 dr_opt[84][1] = 0.0826256 
 dr_opt[84][2] = 0.0517608 
 dr_opt[85][0] = -0.0261261 
 dr_opt[85][1] = 0.0609646 
 dr_opt[85][2] = 0.0469295 
 dr_opt[86][0] = -0.0877514 
 dr_opt[86][1] = 0.0390155 
 dr_opt[86][2] = 0.0543624 
 dr_opt[87][0] = -0.138478 
 dr_opt[87][1] = 0.017355 
 dr_opt[87][2] = 0.0495312 
 dr_opt[88][0] = 0.0775541 
 dr_opt[88][1] = -0.100629 
 dr_opt[88][2] = -0.014668 
 dr_opt[89][0] = 0.0591999 
 dr_opt[89][1] = -0.0727753 
 dr_opt[89][2] = -0.0060758 
 dr_opt[90][0] = 0.0682671 
 dr_opt[90][1] = -0.0463171 
 dr_opt[90][2] = -0.0183166 
 dr_opt[91][0] = 0.0499129 
 dr_opt[91][1] = -0.0184626 
 dr_opt[91][2] = -0.00972457 
 dr_opt[92][0] = 0.244556 
 dr_opt[92][1] = 0.0915417 
 dr_opt[92][2] = -0.0289371 
 dr_opt[93][0] = 0.136441 
 dr_opt[93][1] = 0.0145233 
 dr_opt[93][2] = -0.0721764 
 dr_opt[94][0] = 0.0373207 
 dr_opt[94][1] = -0.0653118 
 dr_opt[94][2] = -0.0580631 
 dr_opt[95][0] = -0.0707944 
 dr_opt[95][1] = -0.14233 
 dr_opt[95][2] = -0.101302 
 dr_opt[96][0] = -0.0720672 
 dr_opt[96][1] = 0.0074202 
 dr_opt[96][2] = -0.0555104 
 dr_opt[97][0] = -0.0484933 
 dr_opt[97][1] = 0.0276272 
 dr_opt[97][2] = -0.0500625 
 dr_opt[98][0] = 0.00177064 
 dr_opt[98][1] = 0.0482613 
 dr_opt[98][2] = -0.0595168 
 dr_opt[99][0] = 0.025344 
 dr_opt[99][1] = 0.0684679 
 dr_opt[99][2] = -0.054069 
 dr_opt[100][0] = 0.0331028 
 dr_opt[100][1] = -0.00572997 
 dr_opt[100][2] = 0.0330104 
 dr_opt[101][0] = 0.0289333 
 dr_opt[101][1] = 0.0240774 
 dr_opt[101][2] = 0.0423528 
 dr_opt[102][0] = 0.0311643 
 dr_opt[102][1] = 0.0529032 
 dr_opt[102][2] = 0.0304546 
 dr_opt[103][0] = 0.0269948 
 dr_opt[103][1] = 0.0827105 
 dr_opt[103][2] = 0.039797 
 dr_opt[104][0] = 0 
 dr_opt[104][1] = 0 
 dr_opt[104][2] = 0 
 dr_opt[105][0] = 0 
 dr_opt[105][1] = 0 
 dr_opt[105][2] = 0 
 dr_opt[106][0] = 0 
 dr_opt[106][1] = 0 
 dr_opt[106][2] = 0 
 dr_opt[107][0] = 0 
 dr_opt[107][1] = 0 
 dr_opt[107][2] = 0 
 dr_opt[108][0] = -0.012505 
 dr_opt[108][1] = 0.0833796 
 dr_opt[108][2] = 0.0404856 
 dr_opt[109][0] = -0.0199248 
 dr_opt[109][1] = 0.0392339 
 dr_opt[109][2] = 0.0251436 
 dr_opt[110][0] = -0.0666653 
 dr_opt[110][1] = -0.00653872 
 dr_opt[110][2] = 0.0421435 
 dr_opt[111][0] = -0.0740847 
 dr_opt[111][1] = -0.0506835 
 dr_opt[111][2] = 0.0268015 
 dr_opt[112][0] = 0.0853446 
 dr_opt[112][1] = 0.0368199 
 dr_opt[112][2] = 0.0497986 
 dr_opt[113][0] = 0.0352178 
 dr_opt[113][1] = 0.0301579 
 dr_opt[113][2] = 0.0492333 
 dr_opt[114][0] = 0.0121347 
 dr_opt[114][1] = 0.0229671 
 dr_opt[114][2] = 0.0538459 
 dr_opt[115][0] = -0.0379922 
 dr_opt[115][1] = 0.0163051 
 dr_opt[115][2] = 0.0532806 
 dr_opt[116][0] = 0.1861 
 dr_opt[116][1] = -0.173053 
 dr_opt[116][2] = -0.00609776 
 dr_opt[117][0] = 0.13673 
 dr_opt[117][1] = -0.112736 
 dr_opt[117][2] = 0.0109977 
 dr_opt[118][0] = 0.0534653 
 dr_opt[118][1] = -0.0559357 
 dr_opt[118][2] = -0.0129295 
 dr_opt[119][0] = 0.00409502 
 dr_opt[119][1] = 0.00438058 
 dr_opt[119][2] = 0.00416599 
 dr_opt[120][0] = 0 
 dr_opt[120][1] = 0 
 dr_opt[120][2] = 0 
 dr_opt[121][0] = 0 
 dr_opt[121][1] = 0 
 dr_opt[121][2] = 0 
 dr_opt[122][0] = 0 
 dr_opt[122][1] = 0 
 dr_opt[122][2] = 0 
 dr_opt[123][0] = 0 
 dr_opt[123][1] = 0 
 dr_opt[123][2] = 0 
 dr_opt[124][0] = -0.0961938 
 dr_opt[124][1] = 0.0617142 
 dr_opt[124][2] = -0.0193967 
 dr_opt[125][0] = -0.0925507 
 dr_opt[125][1] = 0.0688439 
 dr_opt[125][2] = -0.0178334 
 dr_opt[126][0] = -0.0969268 
 dr_opt[126][1] = 0.0753748 
 dr_opt[126][2] = -0.0209001 
 dr_opt[127][0] = -0.0932837 
 dr_opt[127][1] = 0.0825046 
 dr_opt[127][2] = -0.0193367 
 dr_opt[128][0] = -0.0224366 
 dr_opt[128][1] = 0.00357371 
 dr_opt[128][2] = -0.0309704 
 dr_opt[129][0] = -0.0460898 
 dr_opt[129][1] = 0.0111611 
 dr_opt[129][2] = -0.0278166 
 dr_opt[130][0] = -0.0751633 
 dr_opt[130][1] = 0.0185185 
 dr_opt[130][2] = -0.0306511 
 dr_opt[131][0] = -0.0988165 
 dr_opt[131][1] = 0.0261059 
 dr_opt[131][2] = -0.0274973 
 dr_opt[132][0] = 0.0150038 
 dr_opt[132][1] = 0.0325014 
 dr_opt[132][2] = -0.0353367 
 dr_opt[133][0] = 0.0370977 
 dr_opt[133][1] = 0.0316495 
 dr_opt[133][2] = -0.0371975 
 dr_opt[134][0] = 0.0552218 
 dr_opt[134][1] = 0.0308548 
 dr_opt[134][2] = -0.0382811 
 dr_opt[135][0] = 0.077316 
 dr_opt[135][1] = 0.0300029 
 dr_opt[135][2] = -0.0401419 
 dr_opt[136][0] = 0.133729 
 dr_opt[136][1] = -0.0579735 
 dr_opt[136][2] = -0.0250879 
 dr_opt[137][0] = 0.0927659 
 dr_opt[137][1] = -0.0132424 
 dr_opt[137][2] = -0.00954687 
 dr_opt[138][0] = 0.0186625 
 dr_opt[138][1] = 0.0295661 
 dr_opt[138][2] = -0.0263521 
 dr_opt[139][0] = -0.0223 
 dr_opt[139][1] = 0.0742971 
 dr_opt[139][2] = -0.0108111 
 dr_opt[140][0] = 0.0161044 
 dr_opt[140][1] = -0.0882438 
 dr_opt[140][2] = 0.0171028 
 dr_opt[141][0] = 0.0185837 
 dr_opt[141][1] = -0.0293081 
 dr_opt[141][2] = 0.0306687 
 dr_opt[142][0] = 0.0245517 
 dr_opt[142][1] = 0.0245491 
 dr_opt[142][2] = 0.00320615 
 dr_opt[143][0] = 0.027031 
 dr_opt[143][1] = 0.0834849 
 dr_opt[143][2] = 0.0167721 
 dr_opt[144][0] = 0.129615 
 dr_opt[144][1] = -0.0431229 
 dr_opt[144][2] = -0.0284123 
 dr_opt[145][0] = 0.0659112 
 dr_opt[145][1] = -0.0132024 
 dr_opt[145][2] = -0.0234066 
 dr_opt[146][0] = 0.0436203 
 dr_opt[146][1] = 0.0130883 
 dr_opt[146][2] = -0.0361269 
 dr_opt[147][0] = -0.0200821 
 dr_opt[147][1] = 0.0430082 
 dr_opt[147][2] = -0.0311212 
 dr_opt[148][0] = 0 
 dr_opt[148][1] = 0 
 dr_opt[148][2] = 0 
 dr_opt[149][0] = 0 
 dr_opt[149][1] = 0 
 dr_opt[149][2] = 0 
 dr_opt[150][0] = 0 
 dr_opt[150][1] = 0 
 dr_opt[150][2] = 0 
 dr_opt[151][0] = 0 
 dr_opt[151][1] = 0 
 dr_opt[151][2] = 0 
 dr_opt[152][0] = 0.0252526 
 dr_opt[152][1] = 0.0424503 
 dr_opt[152][2] = 0.0281761 
 dr_opt[153][0] = 0.0305733 
 dr_opt[153][1] = 0.0260397 
 dr_opt[153][2] = 0.0235932 
 dr_opt[154][0] = 0.0261917 
 dr_opt[154][1] = 0.0111074 
 dr_opt[154][2] = 0.0299592 
 dr_opt[155][0] = 0.0315122 
 dr_opt[155][1] = -0.00530281 
 dr_opt[155][2] = 0.0253763 
 dr_opt[156][0] = 0.119009 
 dr_opt[156][1] = 0.0202716 
 dr_opt[156][2] = 0.0254181 
 dr_opt[157][0] = 0.0456874 
 dr_opt[157][1] = 0.0103767 
 dr_opt[157][2] = 0.0181262 
 dr_opt[158][0] = 0.0112727 
 dr_opt[158][1] = 0.00142026 
 dr_opt[158][2] = 0.0205138 
 dr_opt[159][0] = -0.0620495 
 dr_opt[159][1] = -0.00847463 
 dr_opt[159][2] = 0.0132219 
 n_atoms 160 dr2 0.00534233 opt_time 0.32208 opt_time_old 0.305488
   dr_max_old = 0.073205, efficiency_old = 0.362681 / cpu s
   dr_max = 0.06655, efficiency = 0.321982 / cpu s
   dr_max = 0.073205
   du_max = 0.0183013

Adjusting maximum size of molecule moves
 dr_opt[0][0] = -0.0376472 
 dr_opt[0][1] = 0.0547887 
 dr_opt[0][2] = 0.044137 
 dr_opt[1][0] = -0.0597776 
 dr_opt[1][1] = -0.0127849 
 dr_opt[1][2] = 0.0190787 
 dr_opt[2][0] = -0.075718 
 dr_opt[2][1] = -0.0808279 
 dr_opt[2][2] = 0.0434371 
 dr_opt[3][0] = -0.0978489 
 dr_opt[3][1] = -0.148403 
 dr_opt[3][2] = 0.0183788 
 dr_opt[4][0] = 0 
 dr_opt[4][1] = 0 
 dr_opt[4][2] = 0 
 dr_opt[5][0] = 0 
 dr_opt[5][1] = 0 
 dr_opt[5][2] = 0 
 dr_opt[6][0] = 0 
 dr_opt[6][1] = 0 
 dr_opt[6][2] = 0 
 dr_opt[7][0] = 0 
 dr_opt[7][1] = 0 
 dr_opt[7][2] = 0 
 dr_opt[8][0] = 0.163099 
 dr_opt[8][1] = 0.00867749 
 dr_opt[8][2] = 0.0231815 
 dr_opt[9][0] = 0.130449 
 dr_opt[9][1] = 0.0425053 
 dr_opt[9][2] = 0.0315219 
 dr_opt[10][0] = 0.135997 
 dr_opt[10][1] = 0.0748611 
 dr_opt[10][2] = 0.0156862 
 dr_opt[11][0] = 0.103347 
 dr_opt[11][1] = 0.108688 
 dr_opt[11][2] = 0.0240268 
 dr_opt[12][0] = 0 
 dr_opt[12][1] = 0 
 dr_opt[12][2] = 0 
 dr_opt[13][0] = 0 
 dr_opt[13][1] = 0 
 dr_opt[13][2] = 0 
 dr_opt[14][0] = 0 
 dr_opt[14][1] = 0 
 dr_opt[14][2] = 0 
 dr_opt[15][0] = 0 
 dr_opt[15][1] = 0 
 dr_opt[15][2] = 0 
 dr_opt[16][0] = 0.172883 
 dr_opt[16][1] = -0.0191113 
 dr_opt[16][2] = 0.0492263 
 dr_opt[17][0] = 0.097482 
 dr_opt[17][1] = -0.0200567 
 dr_opt[17][2] = 0.0476133 
 dr_opt[18][0] = -0.0491348 
 dr_opt[18][1] = -0.0179517 
 dr_opt[18][2] = 0.0478636 
 dr_opt[19][0] = -0.124538 
 dr_opt[19][1] = -0.0188971 
 dr_opt[19][2] = 0.0462506 
 dr_opt[20][0] = 0 
 dr_opt[20][1] = 0 
 dr_opt[20][2] = 0 
 dr_opt[21][0] = 0 
 dr_opt[21][1] = 0 
 dr_opt[21][2] = 0 
 dr_opt[22][0] = 0 
 dr_opt[22][1] = 0 
 dr_opt[22][2] = 0 
 dr_opt[23][0] = 0 
 dr_opt[23][1] = 0 
 dr_opt[23][2] = 0 
 dr_opt[24][0] = 0 
 dr_opt[24][1] = 0 
 dr_opt[24][2] = 0 
 dr_opt[25][0] = 0 
 dr_opt[25][1] = 0 
 dr_opt[25][2] = 0 
 dr_opt[26][0] = 0 
 dr_opt[26][1] = 0 
 dr_opt[26][2] = 0 
 dr_opt[27][0] = 0 
 dr_opt[27][1] = 0 
 dr_opt[27][2] = 0 
 dr_opt[28][0] = -0.047223 
 dr_opt[28][1] = -0.053651 
 dr_opt[28][2] = 0.0271181 
 dr_opt[29][0] = 0.0126784 
 dr_opt[29][1] = -0.0285647 
 dr_opt[29][2] = 0.0332691 
 dr_opt[30][0] = 0.109439 
 dr_opt[30][1] = -0.00595279 
 dr_opt[30][2] = 0.019761 
 dr_opt[31][0] = 0.16934 
 dr_opt[31][1] = 0.0191335 
 dr_opt[31][2] = 0.025912 
 dr_opt[32][0] = -0.0030081 
 dr_opt[32][1] = -0.117395 
 dr_opt[32][2] = -0.0433519 
 dr_opt[33][0] = 0.0523376 
 dr_opt[33][1] = -0.0760245 
 dr_opt[33][2] = -0.0300572 
 dr_opt[34][0] = 0.0142464 
 dr_opt[34][1] = -0.0347372 
 dr_opt[34][2] = -0.0489818 
 dr_opt[35][0] = 0.0695925 
 dr_opt[35][1] = 0.00663453 
 dr_opt[35][2] = -0.0356871 
 dr_opt[36][0] = 0 
 dr_opt[36][1] = 0 
 dr_opt[36][2] = 0 
 dr_opt[37][0] = 0 
 dr_opt[37][1] = 0 
 dr_opt[37][2] = 0 
 dr_opt[38][0] = 0 
 dr_opt[38][1] = 0 
 dr_opt[38][2] = 0 
 dr_opt[39][0] = 0 
 dr_opt[39][1] = 0 
 dr_opt[39][2] = 0 
 dr_opt[40][0] = -0.0945283 
 dr_opt[40][1] = -0.0449172 
 dr_opt[40][2] = 0.0189601 
 dr_opt[41][0] = -0.046805 
 dr_opt[41][1] = -0.0420688 
 dr_opt[41][2] = 0.0193107 
 dr_opt[42][0] = -0.0219182 
 dr_opt[42][1] = -0.0398216 
 dr_opt[42][2] = 0.0184362 
 dr_opt[43][0] = 0.025805 
 dr_opt[43][1] = -0.0369732 
 dr_opt[43][2] = 0.0187868 
 dr_opt[44][0] = 0 
 dr_opt[44][1] = 0 
 dr_opt[44][2] = 0 
 dr_opt[45][0] = 0 
 dr_opt[45][1] = 0 
 dr_opt[45][2] = 0 
 dr_opt[46][0] = 0 
 dr_opt[46][1] = 0 
 dr_opt[46][2] = 0 
 dr_opt[47][0] = 0 
 dr_opt[47][1] = 0 
 dr_opt[47][2] = 0 
 dr_opt[48][0] = -0.121868 
 dr_opt[48][1] = 0.0421876 
 dr_opt[48][2] = 0.0049872 
 dr_opt[49][0] = -0.0572723 
 dr_opt[49][1] = -0.0156572 
 dr_opt[49][2] = -0.0109236 
 dr_opt[50][0] = -0.0348325 
 dr_opt[50][1] = -0.0716538 
 dr_opt[50][2] = 0.0149734 
 dr_opt[51][0] = 0.0297632 
 dr_opt[51][1] = -0.129498 
 dr_opt[51][2] = -0.000937438 
 dr_opt[52][0] = -0.00065807 
 dr_opt[52][1] = 0.0916494 
 dr_opt[52][2] = 0.0609331 
 dr_opt[53][0] = -0.0380316 
 dr_opt[53][1] = 0.0450248 
 dr_opt[53][2] = 0.0461407 
 dr_opt[54][0] = -0.0726006 
 dr_opt[54][1] = 0.000527564 
 dr_opt[54][2] = 0.0632956 
 dr_opt[55][0] = -0.109973 
 dr_opt[55][1] = -0.046096 
 dr_opt[55][2] = 0.0485033 
 dr_opt[56][0] = 0.10787 
 dr_opt[56][1] = -0.0112538 
 dr_opt[56][2] = 0.0279583 
 dr_opt[57][0] = 0.0739788 
 dr_opt[57][1] = 0.0409133 
 dr_opt[57][2] = 0.04567 
 dr_opt[58][0] = 0.00963387 
 dr_opt[58][1] = 0.0932648 
 dr_opt[58][2] = 0.0285843 
 dr_opt[59][0] = -0.0242572 
 dr_opt[59][1] = 0.145432 
 dr_opt[59][2] = 0.046296 
 dr_opt[60][0] = 0.0511954 
 dr_opt[60][1] = -0.0385209 
 dr_opt[60][2] = -0.0189768 
 dr_opt[61][0] = 0.051858 
 dr_opt[61][1] = 0.00533537 
 dr_opt[61][2] = -0.00643422 
 dr_opt[62][0] = 0.0656772 
 dr_opt[62][1] = 0.0471696 
 dr_opt[62][2] = -0.0254032 
 dr_opt[63][0] = 0.0663398 
 dr_opt[63][1] = 0.091025 
 dr_opt[63][2] = -0.0128608 
 dr_opt[64][0] = 0 
 dr_opt[64][1] = 0 
 dr_opt[64][2] = 0 
 dr_opt[65][0] = 0 
 dr_opt[65][1] = 0 
 dr_opt[65][2] = 0 
 dr_opt[66][0] = 0 
 dr_opt[66][1] = 0 
 dr_opt[66][2] = 0 
 dr_opt[67][0] = 0 
 dr_opt[67][1] = 0 
 dr_opt[67][2] = 0 
 dr_opt[68][0] = 0 
 dr_opt[68][1] = 0 
 dr_opt[68][2] = 0 
 dr_opt[69][0] = 0 
 dr_opt[69][1] = 0 
 dr_opt[69][2] = 0 
 dr_opt[70][0] = 0 
 dr_opt[70][1] = 0 
 dr_opt[70][2] = 0 
 dr_opt[71][0] = 0 
 dr_opt[71][1] = 0 
 dr_opt[71][2] = 0 
 dr_opt[72][0] = 0 
 dr_opt[72][1] = 0 
 dr_opt[72][2] = 0 
 dr_opt[73][0] = 0 
 dr_opt[73][1] = 0 
 dr_opt[73][2] = 0 
 dr_opt[74][0] = 0 
 dr_opt[74][1] = 0 
 dr_opt[74][2] = 0 
 dr_opt[75][0] = 0 
 dr_opt[75][1] = 0 
 dr_opt[75][2] = 0 
 dr_opt[76][0] = 0 
 dr_opt[76][1] = 0 
 dr_opt[76][2] = 0 
 dr_opt[77][0] = 0 
 dr_opt[77][1] = 0 
 dr_opt[77][2] = 0 
 dr_opt[78][0] = 0 
 dr_opt[78][1] = 0 
 dr_opt[78][2] = 0 
 dr_opt[79][0] = 0 
 dr_opt[79][1] = 0 
 dr_opt[79][2] = 0 
 dr_opt[80][0] = 0.0644865 
 dr_opt[80][1] = 0.177712 
 dr_opt[80][2] = -0.0192335 
 dr_opt[81][0] = -0.0111675 
 dr_opt[81][1] = 0.124516 
 dr_opt[81][2] = -0.0417053 
 dr_opt[82][0] = -0.0279781 
 dr_opt[82][1] = 0.0697527 
 dr_opt[82][2] = -0.0232318 
 dr_opt[83][0] = -0.103632 
 dr_opt[83][1] = 0.0165567 
 dr_opt[83][2] = -0.0457032 
 dr_opt[84][0] = 0.0418511 
 dr_opt[84][1] = -0.0626435 
 dr_opt[84][2] = -0.0138749 
 dr_opt[85][0] = -0.000387337 
 dr_opt[85][1] = -0.0608205 
 dr_opt[85][2] = -0.0129425 
 dr_opt[86][0] = -0.0787667 
 dr_opt[86][1] = -0.0631395 
 dr_opt[86][2] = -0.0174169 
 dr_opt[87][0] = -0.121004 
 dr_opt[87][1] = -0.0613165 
 dr_opt[87][2] = -0.0164845 
 dr_opt[88][0] = 0 
 dr_opt[88][1] = 0 
 dr_opt[88][2] = 0 
 dr_opt[89][0] = 0 
 dr_opt[89][1] = 0 
 dr_opt[89][2] = 0 
 dr_opt[90][0] = 0 
 dr_opt[90][1] = 0 
 dr_opt[90][2] = 0 
 dr_opt[91][0] = 0 
 dr_opt[91][1] = 0 
 dr_opt[91][2] = 0 
 dr_opt[92][0] = 0 
 dr_opt[92][1] = 0 
 dr_opt[92][2] = 0 
 dr_opt[93][0] = 0 
 dr_opt[93][1] = 0 
 dr_opt[93][2] = 0 
 dr_opt[94][0] = 0 
 dr_opt[94][1] = 0 
 dr_opt[94][2] = 0 
 dr_opt[95][0] = 0 
 dr_opt[95][1] = 0 
 dr_opt[95][2] = 0 
 dr_opt[96][0] = -0.0821587 
 dr_opt[96][1] = 0.0362404 
 dr_opt[96][2] = 0.0699682 
 dr_opt[97][0] = -0.0457544 
 dr_opt[97][1] = 0.0133516 
 dr_opt[97][2] = 0.0602453 
 dr_opt[98][0] = -0.036551 
 dr_opt[98][1] = -0.00988058 
 dr_opt[98][2] = 0.0692854 
 dr_opt[99][0] = -0.00014743 
 dr_opt[99][1] = -0.0327689 
 dr_opt[99][2] = 0.0595626 
 dr_opt[100][0] = 0.1098 
 dr_opt[100][1] = 0.128789 
 dr_opt[100][2] = 0.0722357 
 dr_opt[101][0] = 0.0483927 
 dr_opt[101][1] = 0.0868512 
 dr_opt[101][2] = 0.0566687 
 dr_opt[102][0] = 0.0338592 
 dr_opt[102][1] = 0.044758 
 dr_opt[102][2] = 0.0737012 
 dr_opt[103][0] = -0.0275481 
 dr_opt[103][1] = 0.00282068 
 dr_opt[103][2] = 0.0581343 
 dr_opt[104][0] = -0.00619936 
 dr_opt[104][1] = 0.125516 
 dr_opt[104][2] = -0.00754168 
 dr_opt[105][0] = -0.0502713 
 dr_opt[105][1] = 0.136468 
 dr_opt[105][2] = -0.0021544 
 dr_opt[106][0] = -0.104269 
 dr_opt[106][1] = 0.146872 
 dr_opt[106][2] = -0.00583121 
 dr_opt[107][0] = -0.148341 
 dr_opt[107][1] = 0.157824 
 dr_opt[107][2] = -0.000443925 
 dr_opt[108][0] = 0 
 dr_opt[108][1] = 0 
 dr_opt[108][2] = 0 
 dr_opt[109][0] = 0 
 dr_opt[109][1] = 0 
 dr_opt[109][2] = 0 
 dr_opt[110][0] = 0 
 dr_opt[110][1] = 0 
 dr_opt[110][2] = 0 
 dr_opt[111][0] = 0 
 dr_opt[111][1] = 0 
 dr_opt[111][2] = 0 
 dr_opt[112][0] = -0.0361258 
 dr_opt[112][1] = -0.0287786 
 dr_opt[112][2] = 0.0576495 
 dr_opt[113][0] = -0.0393413 
 dr_opt[113][1] = -0.0488682 
 dr_opt[113][2] = 0.0522114 
 dr_opt[114][0] = -0.0135785 
 dr_opt[114][1] = -0.0694833 
 dr_opt[114][2] = 0.0603105 
 dr_opt[115][0] = -0.016794 
 dr_opt[115][1] = -0.0895729 
 dr_opt[115][2] = 0.0548724 
 dr_opt[116][0] = -0.0560141 
 dr_opt[116][1] = -0.165638 
 dr_opt[116][2] = -0.0496658 
 dr_opt[117][0] = -0.073634 
 dr_opt[117][1] = -0.0950312 
 dr_opt[117][2] = -0.0335496 
 dr_opt[118][0] = -0.046176 
 dr_opt[118][1] = -0.0313759 
 dr_opt[118][2] = -0.0669177 
 dr_opt[119][0] = -0.0637959 
 dr_opt[119][1] = 0.0392312 
 dr_opt[119][2] = -0.0508015 
 dr_opt[120][0] = -0.0176501 
 dr_opt[120][1] = -0.075926 
 dr_opt[120][2] = 0.0700966 
 dr_opt[121][0] = -0.0201862 
 dr_opt[121][1] = -0.0917465 
 dr_opt[121][2] = 0.065601 
 dr_opt[122][0] = -0.0770106 
 dr_opt[122][1] = -0.107416 
 dr_opt[122][2] = 0.0690709 
 dr_opt[123][0] = -0.0795473 
 dr_opt[123][1] = -0.123237 
 dr_opt[123][2] = 0.0645752 
 dr_opt[124][0] = 0 
 dr_opt[124][1] = 0 
 dr_opt[124][2] = 0 
 dr_opt[125][0] = 0 
 dr_opt[125][1] = 0 
 dr_opt[125][2] = 0 
 dr_opt[126][0] = 0 
 dr_opt[126][1] = 0 
 dr_opt[126][2] = 0 
 dr_opt[127][0] = 0 
 dr_opt[127][1] = 0 
 dr_opt[127][2] = 0 
 dr_opt[128][0] = 0.0250909 
 dr_opt[128][1] = -0.0096321 
 dr_opt[128][2] = 0.0280509 
 dr_opt[129][0] = 0.0667608 
 dr_opt[129][1] = -0.0217884 
 dr_opt[129][2] = 0.0227044 
 dr_opt[130][0] = 0.0584386 
 dr_opt[130][1] = -0.0364439 
 dr_opt[130][2] = 0.0280703 
 dr_opt[131][0] = 0.100109 
 dr_opt[131][1] = -0.0486002 
 dr_opt[131][2] = 0.0227238 
 dr_opt[132][0] = 0.112403 
 dr_opt[132][1] = -0.0123585 
 dr_opt[132][2] = 0.0138734 
 dr_opt[133][0] = 0.0697548 
 dr_opt[133][1] = -0.00100545 
 dr_opt[133][2] = 0.0201894 
 dr_opt[134][0] = 0.00444968 
 dr_opt[134][1] = 0.00987022 
 dr_opt[134][2] = 0.0198285 
 dr_opt[135][0] = -0.0381999 
 dr_opt[135][1] = 0.0212235 
 dr_opt[135][2] = 0.0261446 
 dr_opt[136][0] = 0.0587148 
 dr_opt[136][1] = -0.126087 
 dr_opt[136][2] = 0.010655 
 dr_opt[137][0] = -0.000228941 
 dr_opt[137][1] = -0.0667641 
 dr_opt[137][2] = 0.0280522 
 dr_opt[138][0] = -0.0295072 
 dr_opt[138][1] = -0.00932309 
 dr_opt[138][2] = 0.00241139 
 dr_opt[139][0] = -0.0884509 
 dr_opt[139][1] = 0.0499992 
 dr_opt[139][2] = 0.0198086 
 dr_opt[140][0] = 0 
 dr_opt[140][1] = 0 
 dr_opt[140][2] = 0 
 dr_opt[141][0] = 0 
 dr_opt[141][1] = 0 
 dr_opt[141][2] = 0 
 dr_opt[142][0] = 0 
 dr_opt[142][1] = 0 
 dr_opt[142][2] = 0 
 dr_opt[143][0] = 0 
 dr_opt[143][1] = 0 
 dr_opt[143][2] = 0 
 dr_opt[144][0] = 0 
 dr_opt[144][1] = 0 
 dr_opt[144][2] = 0 
 dr_opt[145][0] = 0 
 dr_opt[145][1] = 0 
 dr_opt[145][2] = 0 
 dr_opt[146][0] = 0 
 dr_opt[146][1] = 0 
 dr_opt[146][2] = 0 
 dr_opt[147][0] = 0 
 dr_opt[147][1] = 0 
 dr_opt[147][2] = 0 
 dr_opt[148][0] = 0.0156585 
 dr_opt[148][1] = -0.0012018 
 dr_opt[148][2] = -0.0515118 
 dr_opt[149][0] = -0.0155717 
 dr_opt[149][1] = -0.00301847 
 dr_opt[149][2] = -0.0522784 
 dr_opt[150][0] = -0.0581916 
 dr_opt[150][1] = -0.00480345 
 dr_opt[150][2] = -0.0519732 
 dr_opt[151][0] = -0.089421 
 dr_opt[151][1] = -0.00662007 
 dr_opt[151][2] = -0.0527398 
 dr_opt[152][0] = -0.0592971 
 dr_opt[152][1] = 0.0511979 
 dr_opt[152][2] = -0.0389598 
 dr_opt[153][0] = -0.0720264 
 dr_opt[153][1] = 0.0252104 
 dr_opt[153][2] = -0.0479871 
 dr_opt[154][0] = -0.0372163 
 dr_opt[154][1] = -0.00500158 
 dr_opt[154][2] = -0.0357767 
 dr_opt[155][0] = -0.0499457 
 dr_opt[155][1] = -0.0309885 
 dr_opt[155][2] = -0.044804 
 dr_opt[156][0] = 0 
 dr_opt[156][1] = 0 
 dr_opt[156][2] = 0 
 dr_opt[157][0] = 0 
 dr_opt[157][1] = 0 
 dr_opt[157][2] = 0 
 dr_opt[158][0] = 0 
 dr_opt[158][1] = 0 
 dr_opt[158][2] = 0 
 dr_opt[159][0] = 0 
 dr_opt[159][1] = 0 
 dr_opt[159][2] = 0 
 n_atoms 160 dr2 0.0069433 opt_time 0.335744 opt_time_old 0.32208
   dr_max_old = 0.06655, efficiency_old = 0.321982 / cpu s
   dr_max = 0.073205, efficiency = 0.508146 / cpu s
   dr_max = 0.0805255
   du_max = 0.0201314

Block averages for block 0, MC cycles 1 - 10
   h[0][0] = 6.55118
   h[1][1] = 6.55118
   h[2][2] = 24.4
   volume = 1047.2
   rho_star = 0.2
   layer_spacing = 6.1
         i_species = 0
   q = -0.498533 0.00019249 -0.00338184
       0.00019249 -0.498121 -0.0098918
       -0.00338184 -0.0098918 0.996654
   cos_theta = 0.999976
   theta = 0.4007 degrees
   phi = -108.876 degrees
   lambda[0] = 0.996728
   lambda[1] = -0.498118
   lambda[2] = -0.498609
   mol_accept = 0.8

Adjusting maximum size of molecule moves
 dr_opt[0][0] = 0 
 dr_opt[0][1] = 0 
 dr_opt[0][2] = 0 
 dr_opt[1][0] = 0 
 dr_opt[1][1] = 0 
 dr_opt[1][2] = 0 
 dr_opt[2][0] = 0 
 dr_opt[2][1] = 0 
 dr_opt[2][2] = 0 
 dr_opt[3][0] = 0 
 dr_opt[3][1] = 0 
 dr_opt[3][2] = 0 
 dr_opt[4][0] = 0 
 dr_opt[4][1] = 0 
 dr_opt[4][2] = 0 
 dr_opt[5][0] = 0 
 dr_opt[5][1] = 0 
 dr_opt[5][2] = 0 
 dr_opt[6][0] = 0 
 dr_opt[6][1] = 0 
 dr_opt[6][2] = 0 
 dr_opt[7][0] = 0 
 dr_opt[7][1] = 0 
 dr_opt[7][2] = 0 
 dr_opt[8][0] = 0.0595712 
 dr_opt[8][1] = 0.0816335 
 dr_opt[8][2] = -0.0506962 
 dr_opt[9][0] = 0.0314853 
 dr_opt[9][1] = 0.013891 
 dr_opt[9][2] = -0.0682646 
 dr_opt[10][0] = 0.0348122 
 dr_opt[10][1] = -0.0488503 
 dr_opt[10][2] = -0.0379232 
 dr_opt[11][0] = 0.00672639 
 dr_opt[11][1] = -0.116591 
 dr_opt[11][2] = -0.055492 
 dr_opt[12][0] = -0.154959 
 dr_opt[12][1] = -0.0191217 
 dr_opt[12][2] = -0.0145578 
 dr_opt[13][0] = -0.0475468 
 dr_opt[13][1] = -0.0339277 
 dr_opt[13][2] = -0.0201058 
 dr_opt[14][0] = 0.0729045 
 dr_opt[14][1] = -0.048269 
 dr_opt[14][2] = -0.0177961 
 dr_opt[15][0] = 0.180319 
 dr_opt[15][1] = -0.0630752 
 dr_opt[15][2] = -0.0233441 
 dr_opt[16][0] = -0.0357133 
 dr_opt[16][1] = -0.0870334 
 dr_opt[16][2] = -0.0763251 
 dr_opt[17][0] = -0.0268596 
 dr_opt[17][1] = -0.0641737 
 dr_opt[17][2] = -0.0712548 
 dr_opt[18][0] = 0.00102292 
 dr_opt[18][1] = -0.0439021 
 dr_opt[18][2] = -0.0814725 
 dr_opt[19][0] = 0.00987708 
 dr_opt[19][1] = -0.021042 
 dr_opt[19][2] = -0.0764023 
 dr_opt[20][0] = 0 
 dr_opt[20][1] = 0 
 dr_opt[20][2] = 0 
 dr_opt[21][0] = 0 
 dr_opt[21][1] = 0 
 dr_opt[21][2] = 0 
 dr_opt[22][0] = 0 
 dr_opt[22][1] = 0 
 dr_opt[22][2] = 0 
 dr_opt[23][0] = 0 
 dr_opt[23][1] = 0 
 dr_opt[23][2] = 0 
 dr_opt[24][0] = 0 
 dr_opt[24][1] = 0 
 dr_opt[24][2] = 0 
 dr_opt[25][0] = 0 
 dr_opt[25][1] = 0 
 dr_opt[25][2] = 0 
 dr_opt[26][0] = 0 
 dr_opt[26][1] = 0 
 dr_opt[26][2] = 0 
 dr_opt[27][0] = 0 
 dr_opt[27][1] = 0 
 dr_opt[27][2] = 0 
 dr_opt[28][0] = -0.0917703 
 dr_opt[28][1] = -0.0670101 
 dr_opt[28][2] = -0.0588546 
 dr_opt[29][0] = -0.00918639 
 dr_opt[29][1] = -0.0546158 
 dr_opt[29][2] = -0.0597137 
 dr_opt[30][0] = 0.0785903 
 dr_opt[30][1] = -0.0434979 
 dr_opt[30][2] = -0.0723376 
 dr_opt[31][0] = 0.161174 
 dr_opt[31][1] = -0.0311035 
 dr_opt[31][2] = -0.0731967 
 dr_opt[32][0] = 0.227767 
 dr_opt[32][1] = 0.0448589 
 dr_opt[32][2] = -0.0903159 
 dr_opt[33][0] = 0.0778664 
 dr_opt[33][1] = 0.0272841 
 dr_opt[33][2] = -0.103062 
 dr_opt[34][0] = -0.0363105 
 dr_opt[34][1] = 0.0107252 
 dr_opt[34][2] = -0.101614 
 dr_opt[35][0] = -0.186214 
 dr_opt[35][1] = -0.00684999 
 dr_opt[35][2] = -0.11436 
 dr_opt[36][0] = 0 
 dr_opt[36][1] = 0 
 dr_opt[36][2] = 0 
 dr_opt[37][0] = 0 
 dr_opt[37][1] = 0 
 dr_opt[37][2] = 0 
 dr_opt[38][0] = 0 
 dr_opt[38][1] = 0 
 dr_opt[38][2] = 0 
 dr_opt[39][0] = 0 
 dr_opt[39][1] = 0 
 dr_opt[39][2] = 0 
 dr_opt[40][0] = 0 
 dr_opt[40][1] = 0 
 dr_opt[40][2] = 0 
 dr_opt[41][0] = 0 
 dr_opt[41][1] = 0 
 dr_opt[41][2] = 0 
 dr_opt[42][0] = 0 
 dr_opt[42][1] = 0 
 dr_opt[42][2] = 0 
 dr_opt[43][0] = 0 
 dr_opt[43][1] = 0 
 dr_opt[43][2] = 0 
 dr_opt[44][0] = 0 
 dr_opt[44][1] = 0 
 dr_opt[44][2] = 0 
 dr_opt[45][0] = 0 
 dr_opt[45][1] = 0 
 dr_opt[45][2] = 0 
 dr_opt[46][0] = 0 
 dr_opt[46][1] = 0 
 dr_opt[46][2] = 0 
 dr_opt[47][0] = 0 
 dr_opt[47][1] = 0 
 dr_opt[47][2] = 0 
 dr_opt[48][0] = 0.00980077 
 dr_opt[48][1] = -0.0225511 
 dr_opt[48][2] = 0.0455492 
 dr_opt[49][0] = -0.0238192 
 dr_opt[49][1] = 0.0246797 
 dr_opt[49][2] = 0.0590582 
 dr_opt[50][0] = -0.0487862 
 dr_opt[50][1] = 0.06979 
 dr_opt[50][2] = 0.0381427 
 dr_opt[51][0] = -0.0824061 
 dr_opt[51][1] = 0.117021 
 dr_opt[51][2] = 0.0516517 
 dr_opt[52][0] = 0 
 dr_opt[52][1] = 0 
 dr_opt[52][2] = 0 
 dr_opt[53][0] = 0 
 dr_opt[53][1] = 0 
 dr_opt[53][2] = 0 
 dr_opt[54][0] = 0 
 dr_opt[54][1] = 0 
 dr_opt[54][2] = 0 
 dr_opt[55][0] = 0 
 dr_opt[55][1] = 0 
 dr_opt[55][2] = 0 
 dr_opt[56][0] = 0 
 dr_opt[56][1] = 0 
 dr_opt[56][2] = 0 
 dr_opt[57][0] = 0 
 dr_opt[57][1] = 0 
 dr_opt[57][2] = 0 
 dr_opt[58][0] = 0 
 dr_opt[58][1] = 0 
 dr_opt[58][2] = 0 
 dr_opt[59][0] = 0 
 dr_opt[59][1] = 0 
 dr_opt[59][2] = 0 
 dr_opt[60][0] = 0 
 dr_opt[60][1] = 0 
 dr_opt[60][2] = 0 
 dr_opt[61][0] = 0 
 dr_opt[61][1] = 0 
 dr_opt[61][2] = 0 
 dr_opt[62][0] = 0 
 dr_opt[62][1] = 0 
 dr_opt[62][2] = 0 
 dr_opt[63][0] = 0 
 dr_opt[63][1] = 0 
 dr_opt[63][2] = 0 
 dr_opt[64][0] = 0 
 dr_opt[64][1] = 0 
 dr_opt[64][2] = 0 
 dr_opt[65][0] = 0 
 dr_opt[65][1] = 0 
 dr_opt[65][2] = 0 
 dr_opt[66][0] = 0 
 dr_opt[66][1] = 0 
 dr_opt[66][2] = 0 
 dr_opt[67][0] = 0 
 dr_opt[67][1] = 0 
 dr_opt[67][2] = 0 
 dr_opt[68][0] = -0.110606 
 dr_opt[68][1] = 0.0133231 
 dr_opt[68][2] = -0.0236849 
 dr_opt[69][0] = -0.0354048 
 dr_opt[69][1] = -0.026732 
 dr_opt[69][2] = -0.0346904 
 dr_opt[70][0] = 0.0432318 
 dr_opt[70][1] = -0.0646613 
 dr_opt[70][2] = -0.0159877 
 dr_opt[71][0] = 0.118435 
 dr_opt[71][1] = -0.104717 
 dr_opt[71][2] = -0.0269931 
 dr_opt[72][0] = -0.021996 
 dr_opt[72][1] = -0.122986 
 dr_opt[72][2] = 0.0483289 
 dr_opt[73][0] = -0.0118161 
 dr_opt[73][1] = -0.0678445 
 dr_opt[73][2] = 0.0620318 
 dr_opt[74][0] = 0.0145414 
 dr_opt[74][1] = -0.0175012 
 dr_opt[74][2] = 0.0371439 
 dr_opt[75][0] = 0.0247212 
 dr_opt[75][1] = 0.0376402 
 dr_opt[75][2] = 0.0508469 
 dr_opt[76][0] = 0 
 dr_opt[76][1] = 0 
 dr_opt[76][2] = 0 
 dr_opt[77][0] = 0 
 dr_opt[77][1] = 0 
 dr_opt[77][2] = 0 
 dr_opt[78][0] = 0 
 dr_opt[78][1] = 0 
 dr_opt[78][2] = 0 
 dr_opt[79][0] = 0 
 dr_opt[79][1] = 0 
 dr_opt[79][2] = 0 
 dr_opt[80][0] = 0.0675198 
 dr_opt[80][1] = 0.031842 
 dr_opt[80][2] = -0.0483709 
 dr_opt[81][0] = 0.066802 
 dr_opt[81][1] = 0.0493352 
 dr_opt[81][2] = -0.0414551 
 dr_opt[82][0] = 0.0316769 
 dr_opt[82][1] = 0.0679974 
 dr_opt[82][2] = -0.0486847 
 dr_opt[83][0] = 0.0309588 
 dr_opt[83][1] = 0.0854907 
 dr_opt[83][2] = -0.041769 
 dr_opt[84][0] = 0.0700468 
 dr_opt[84][1] = 0.000628891 
 dr_opt[84][2] = -0.0658403 
 dr_opt[85][0] = 0.0430944 
 dr_opt[85][1] = 0.0567309 
 dr_opt[85][2] = -0.0498348 
 dr_opt[86][0] = -0.000537595 
 dr_opt[86][1] = 0.107672 
 dr_opt[86][2] = -0.0766174 
 dr_opt[87][0] = -0.0274893 
 dr_opt[87][1] = 0.163773 
 dr_opt[87][2] = -0.0606119 
 dr_opt[88][0] = -0.0170056 
 dr_opt[88][1] = -0.00135208 
 dr_opt[88][2] = 0.00683862 
 dr_opt[89][0] = 0.0152333 
 dr_opt[89][1] = -0.0507113 
 dr_opt[89][2] = -0.00879734 
 dr_opt[90][0] = 0.0225065 
 dr_opt[90][1] = -0.0977189 
 dr_opt[90][2] = 0.0117373 
 dr_opt[91][0] = 0.0547458 
 dr_opt[91][1] = -0.147079 
 dr_opt[91][2] = -0.00389844 
 dr_opt[92][0] = 0 
 dr_opt[92][1] = 0 
 dr_opt[92][2] = 0 
 dr_opt[93][0] = 0 
 dr_opt[93][1] = 0 
 dr_opt[93][2] = 0 
 dr_opt[94][0] = 0 
 dr_opt[94][1] = 0 
 dr_opt[94][2] = 0 
 dr_opt[95][0] = 0 
 dr_opt[95][1] = 0 
 dr_opt[95][2] = 0 
 dr_opt[96][0] = 0 
 dr_opt[96][1] = 0 
 dr_opt[96][2] = 0 
 dr_opt[97][0] = 0 
 dr_opt[97][1] = 0 
 dr_opt[97][2] = 0 
 dr_opt[98][0] = 0 
 dr_opt[98][1] = 0 
 dr_opt[98][2] = 0 
 dr_opt[99][0] = 0 
 dr_opt[99][1] = 0 
 dr_opt[99][2] = 0 
 dr_opt[100][0] = 0.11078 
 dr_opt[100][1] = -0.0589012 
 dr_opt[100][2] = 0.0619123 
 dr_opt[101][0] = 0.0412023 
 dr_opt[101][1] = -0.00124316 
 dr_opt[101][2] = 0.0752683 
 dr_opt[102][0] = -0.0376173 
 dr_opt[102][1] = 0.0551712 
 dr_opt[102][2] = 0.0488069 
 dr_opt[103][0] = -0.107195 
 dr_opt[103][1] = 0.112829 
 dr_opt[103][2] = 0.0621629 
 dr_opt[104][0] = -0.0999252 
 dr_opt[104][1] = -0.158876 
 dr_opt[104][2] = 0.0644675 
 dr_opt[105][0] = -0.0493509 
 dr_opt[105][1] = -0.0889696 
 dr_opt[105][2] = 0.0851933 
 dr_opt[106][0] = 0.0220935 
 dr_opt[106][1] = -0.0200044 
 dr_opt[106][2] = 0.056535 
 dr_opt[107][0] = 0.0726678 
 dr_opt[107][1] = 0.0499021 
 dr_opt[107][2] = 0.0772609 
 dr_opt[108][0] = 0 
 dr_opt[108][1] = 0 
 dr_opt[108][2] = 0 
 dr_opt[109][0] = 0 
 dr_opt[109][1] = 0 
 dr_opt[109][2] = 0 
 dr_opt[110][0] = 0 
 dr_opt[110][1] = 0 
 dr_opt[110][2] = 0 
 dr_opt[111][0] = 0 
 dr_opt[111][1] = 0 
 dr_opt[111][2] = 0 
 dr_opt[112][0] = 0.0237124 
 dr_opt[112][1] = 0.0402432 
 dr_opt[112][2] = -0.0407408 
 dr_opt[113][0] = 0.0352639 
 dr_opt[113][1] = 0.00645171 
 dr_opt[113][2] = -0.0505959 
 dr_opt[114][0] = 0.0102316 
 dr_opt[114][1] = -0.0236037 
 dr_opt[114][2] = -0.0359118 
 dr_opt[115][0] = 0.0217831 
 dr_opt[115][1] = -0.0573953 
 dr_opt[115][2] = -0.0457669 
 dr_opt[116][0] = 0.0344927 
 dr_opt[116][1] = -0.0679259 
 dr_opt[116][2] = 0.0557411 
 dr_opt[117][0] = -0.0205556 
 dr_opt[117][1] = -0.0452194 
 dr_opt[117][2] = 0.059781 
 dr_opt[118][0] = -0.0737281 
 dr_opt[118][1] = -0.0247682 
 dr_opt[118][2] = 0.0493461 
 dr_opt[119][0] = -0.128777 
 dr_opt[119][1] = -0.00206169 
 dr_opt[119][2] = 0.0533859 
 dr_opt[120][0] = -0.121045 
 dr_opt[120][1] = 0.0559549 
 dr_opt[120][2] = 0.041133 
 dr_opt[121][0] = -0.082306 
 dr_opt[121][1] = 0.02569 
 dr_opt[121][2] = 0.0341948 
 dr_opt[122][0] = -0.0751716 
 dr_opt[122][1] = -0.00437802 
 dr_opt[122][2] = 0.048123 
 dr_opt[123][0] = -0.0364316 
 dr_opt[123][1] = -0.0346435 
 dr_opt[123][2] = 0.0411849 
 dr_opt[124][0] = 0 
 dr_opt[124][1] = 0 
 dr_opt[124][2] = 0 
 dr_opt[125][0] = 0 
 dr_opt[125][1] = 0 
 dr_opt[125][2] = 0 
 dr_opt[126][0] = 0 
 dr_opt[126][1] = 0 
 dr_opt[126][2] = 0 
 dr_opt[127][0] = 0 
 dr_opt[127][1] = 0 
 dr_opt[127][2] = 0 
 dr_opt[128][0] = 0.100982 
 dr_opt[128][1] = 0.234462 
 dr_opt[128][2] = 0.0145325 
 dr_opt[129][0] = 0.0124257 
 dr_opt[129][1] = 0.201574 
 dr_opt[129][2] = 0.00358177 
 dr_opt[130][0] = -0.0975383 
 dr_opt[130][1] = 0.166971 
 dr_opt[130][2] = 0.011173 
 dr_opt[131][0] = -0.186095 
 dr_opt[131][1] = 0.134083 
 dr_opt[131][2] = 0.000222208 
 dr_opt[132][0] = 0 
 dr_opt[132][1] = 0 
 dr_opt[132][2] = 0 
 dr_opt[133][0] = 0 
 dr_opt[133][1] = 0 
 dr_opt[133][2] = 0 
 dr_opt[134][0] = 0 
 dr_opt[134][1] = 0 
 dr_opt[134][2] = 0 
 dr_opt[135][0] = 0 
 dr_opt[135][1] = 0 
 dr_opt[135][2] = 0 
 dr_opt[136][0] = 0 
 dr_opt[136][1] = 0 
 dr_opt[136][2] = 0 
 dr_opt[137][0] = 0 
 dr_opt[137][1] = 0 
 dr_opt[137][2] = 0 
 dr_opt[138][0] = 0 
 dr_opt[138][1] = 0 
 dr_opt[138][2] = 0 
 dr_opt[139][0] = 0 
 dr_opt[139][1] = 0 
 dr_opt[139][2] = 0 
 dr_opt[140][0] = 0 
 dr_opt[140][1] = 0 
 dr_opt[140][2] = 0 
 dr_opt[141][0] = 0 
 dr_opt[141][1] = 0 
 dr_opt[141][2] = 0 
 dr_opt[142][0] = 0 
 dr_opt[142][1] = 0 
 dr_opt[142][2] = 0 
 dr_opt[143][0] = 0 
 dr_opt[143][1] = 0 
 dr_opt[143][2] = 0 
 dr_opt[144][0] = 0.0451791 
 dr_opt[144][1] = 0.137514 
 dr_opt[144][2] = 0.0397768 
 dr_opt[145][0] = 0.0760949 
 dr_opt[145][1] = 0.094249 
 dr_opt[145][2] = 0.029975 
 dr_opt[146][0] = 0.0601092 
 dr_opt[146][1] = 0.0556055 
 dr_opt[146][2] = 0.0478241 
 dr_opt[147][0] = 0.0910244 
 dr_opt[147][1] = 0.0123419 
 dr_opt[147][2] = 0.0380225 
 dr_opt[148][0] = 0 
 dr_opt[148][1] = 0 
 dr_opt[148][2] = 0 
 dr_opt[149][0] = 0 
 dr_opt[149][1] = 0 
 dr_opt[149][2] = 0 
 dr_opt[150][0] = 0 
 dr_opt[150][1] = 0 
 dr_opt[150][2] = 0 
 dr_opt[151][0] = 0 
 dr_opt[151][1] = 0 
 dr_opt[151][2] = 0 
 dr_opt[152][0] = 0 
 dr_opt[152][1] = 0 
 dr_opt[152][2] = 0 
 dr_opt[153][0] = 0 
 dr_opt[153][1] = 0 
 dr_opt[153][2] = 0 
 dr_opt[154][0] = 0 
 dr_opt[154][1] = 0 
 dr_opt[154][2] = 0 
 dr_opt[155][0] = 0 
 dr_opt[155][1] = 0 
 dr_opt[155][2] = 0 
 dr_opt[156][0] = 0 
 dr_opt[156][1] = 0 
 dr_opt[156][2] = 0 
 dr_opt[157][0] = 0 
 dr_opt[157][1] = 0 
 dr_opt[157][2] = 0 
 dr_opt[158][0] = 0 
 dr_opt[158][1] = 0 
 dr_opt[158][2] = 0 
 dr_opt[159][0] = 0 
 dr_opt[159][1] = 0 
 dr_opt[159][2] = 0 
 n_atoms 160 dr2 0.00692584 opt_time 0.350384 opt_time_old 0.335744
   dr_max_old = 0.073205, efficiency_old = 0.508146 / cpu s
   dr_max = 0.0805255, efficiency = 0.473077 / cpu s
   dr_max = 0.073205
   du_max = 0.0183013

Adjusting maximum size of molecule moves
 dr_opt[0][0] = 0 
 dr_opt[0][1] = 0 
 dr_opt[0][2] = 0 
 dr_opt[1][0] = 0 
 dr_opt[1][1] = 0 
 dr_opt[1][2] = 0 
 dr_opt[2][0] = 0 
 dr_opt[2][1] = 0 
 dr_opt[2][2] = 0 
 dr_opt[3][0] = 0 
 dr_opt[3][1] = 0 
 dr_opt[3][2] = 0 
 dr_opt[4][0] = 0 
 dr_opt[4][1] = 0 
 dr_opt[4][2] = 0 
 dr_opt[5][0] = 0 
 dr_opt[5][1] = 0 
 dr_opt[5][2] = 0 
 dr_opt[6][0] = 0 
 dr_opt[6][1] = 0 
 dr_opt[6][2] = 0 
 dr_opt[7][0] = 0 
 dr_opt[7][1] = 0 
 dr_opt[7][2] = 0 
 dr_opt[8][0] = 0.045716 
 dr_opt[8][1] = -0.067139 
 dr_opt[8][2] = 0.0488653 
 dr_opt[9][0] = 0.0487958 
 dr_opt[9][1] = -0.0241128 
 dr_opt[9][2] = 0.0601377 
 dr_opt[10][0] = 0.0371763 
 dr_opt[10][1] = 0.0160369 
 dr_opt[10][2] = 0.0408301 
 dr_opt[11][0] = 0.0402563 
 dr_opt[11][1] = 0.0590622 
 dr_opt[11][2] = 0.0521027 
 dr_opt[12][0] = 0.0664624 
 dr_opt[12][1] = -0.118096 
 dr_opt[12][2] = 0.0114777 
 dr_opt[13][0] = 0.0114997 
 dr_opt[13][1] = -0.0811101 
 dr_opt[13][2] = 0.0222366 
 dr_opt[14][0] = -0.0290253 
 dr_opt[14][1] = -0.0473973 
 dr_opt[14][2] = 0.00811233 
 dr_opt[15][0] = -0.083989 
 dr_opt[15][1] = -0.0104107 
 dr_opt[15][2] = 0.0188713 
 dr_opt[16][0] = 0.0311784 
 dr_opt[16][1] = 0.133663 
 dr_opt[16][2] = -0.0297091 
 dr_opt[17][0] = 0.0287142 
 dr_opt[17][1] = -0.00542521 
 dr_opt[17][2] = -0.0630922 
 dr_opt[18][0] = 0.0579642 
 dr_opt[18][1] = -0.134591 
 dr_opt[18][2] = 0.00158738 
 dr_opt[19][0] = 0.0555004 
 dr_opt[19][1] = -0.273682 
 dr_opt[19][2] = -0.031795 
 dr_opt[20][0] = 0.103612 
 dr_opt[20][1] = 0.0491308 
 dr_opt[20][2] = -0.0206938 
 dr_opt[21][0] = 0.0640221 
 dr_opt[21][1] = 0.0550191 
 dr_opt[21][2] = -0.0182128 
 dr_opt[22][0] = -0.0104471 
 dr_opt[22][1] = 0.0570193 
 dr_opt[22][2] = -0.0235867 
 dr_opt[23][0] = -0.0500373 
 dr_opt[23][1] = 0.0629075 
 dr_opt[23][2] = -0.0211057 
 dr_opt[24][0] = 0 
 dr_opt[24][1] = 0 
 dr_opt[24][2] = 0 
 dr_opt[25][0] = 0 
 dr_opt[25][1] = 0 
 dr_opt[25][2] = 0 
 dr_opt[26][0] = 0 
 dr_opt[26][1] = 0 
 dr_opt[26][2] = 0 
 dr_opt[27][0] = 0 
 dr_opt[27][1] = 0 
 dr_opt[27][2] = 0 
 dr_opt[28][0] = -0.102733 
 dr_opt[28][1] = -0.0295495 
 dr_opt[28][2] = -0.0166529 
 dr_opt[29][0] = -0.0327058 
 dr_opt[29][1] = -0.00739341 
 dr_opt[29][2] = -0.0172313 
 dr_opt[30][0] = 0.000229193 
 dr_opt[30][1] = 0.0144458 
 dr_opt[30][2] = -0.0316413 
 dr_opt[31][0] = 0.0702562 
 dr_opt[31][1] = 0.0366019 
 dr_opt[31][2] = -0.0322197 
 dr_opt[32][0] = -0.0336758 
 dr_opt[32][1] = 0.0742089 
 dr_opt[32][2] = -0.0747136 
 dr_opt[33][0] = 0.000626788 
 dr_opt[33][1] = 0.0681531 
 dr_opt[33][2] = -0.0735997 
 dr_opt[34][0] = 0.0673502 
 dr_opt[34][1] = 0.0616433 
 dr_opt[34][2] = -0.0662418 
 dr_opt[35][0] = 0.101654 
 dr_opt[35][1] = 0.0555874 
 dr_opt[35][2] = -0.0651278 
 dr_opt[36][0] = 0.0464607 
 dr_opt[36][1] = 0.040169 
 dr_opt[36][2] = 0.0745893 
 dr_opt[37][0] = 0.0174674 
 dr_opt[37][1] = 0.00219942 
 dr_opt[37][2] = 0.0594572 
 dr_opt[38][0] = 0.00432658 
 dr_opt[38][1] = -0.0356608 
 dr_opt[38][2] = 0.0727234 
 dr_opt[39][0] = -0.0246674 
 dr_opt[39][1] = -0.0736312 
 dr_opt[39][2] = 0.057591 
 dr_opt[40][0] = 0 
 dr_opt[40][1] = 0 
 dr_opt[40][2] = 0 
 dr_opt[41][0] = 0 
 dr_opt[41][1] = 0 
 dr_opt[41][2] = 0 
 dr_opt[42][0] = 0 
 dr_opt[42][1] = 0 
 dr_opt[42][2] = 0 
 dr_opt[43][0] = 0 
 dr_opt[43][1] = 0 
 dr_opt[43][2] = 0 
 dr_opt[44][0] = 0.0408319 
 dr_opt[44][1] = -0.0682101 
 dr_opt[44][2] = 0.0711374 
 dr_opt[45][0] = -0.0193665 
 dr_opt[45][1] = -0.0617499 
 dr_opt[45][2] = 0.073676 
 dr_opt[46][0] = -0.0719619 
 dr_opt[46][1] = -0.0557774 
 dr_opt[46][2] = 0.0708598 
 dr_opt[47][0] = -0.13216 
 dr_opt[47][1] = -0.0493173 
 dr_opt[47][2] = 0.0733983 
 dr_opt[48][0] = 0 
 dr_opt[48][1] = 0 
 dr_opt[48][2] = 0 
 dr_opt[49][0] = 0 
 dr_opt[49][1] = 0 
 dr_opt[49][2] = 0 
 dr_opt[50][0] = 0 
 dr_opt[50][1] = 0 
 dr_opt[50][2] = 0 
 dr_opt[51][0] = 0 
 dr_opt[51][1] = 0 
 dr_opt[51][2] = 0 
 dr_opt[52][0] = 0 
 dr_opt[52][1] = 0 
 dr_opt[52][2] = 0 
 dr_opt[53][0] = 0 
 dr_opt[53][1] = 0 
 dr_opt[53][2] = 0 
 dr_opt[54][0] = 0 
 dr_opt[54][1] = 0 
 dr_opt[54][2] = 0 
 dr_opt[55][0] = 0 
 dr_opt[55][1] = 0 
 dr_opt[55][2] = 0 
 dr_opt[56][0] = 0.145088 
 dr_opt[56][1] = 0.0595799 
 dr_opt[56][2] = -0.0670721 
 dr_opt[57][0] = 0.0936644 
 dr_opt[57][1] = 0.0118193 
 dr_opt[57][2] = -0.0821644 
 dr_opt[58][0] = 0.0188856 
 dr_opt[58][1] = -0.0338008 
 dr_opt[58][2] = -0.0614595 
 dr_opt[59][0] = -0.0325381 
 dr_opt[59][1] = -0.0815615 
 dr_opt[59][2] = -0.0765518 
 dr_opt[60][0] = 0.038735 
 dr_opt[60][1] = -0.098192 
 dr_opt[60][2] = 0.0856393 
 dr_opt[61][0] = -0.0650359 
 dr_opt[61][1] = -0.00571824 
 dr_opt[61][2] = 0.109154 
 dr_opt[62][0] = -0.111865 
 dr_opt[62][1] = 0.0792891 
 dr_opt[62][2] = 0.0683093 
 dr_opt[63][0] = -0.215634 
 dr_opt[63][1] = 0.171761 
 dr_opt[63][2] = 0.0918236 
 dr_opt[64][0] = 0.079703 
 dr_opt[64][1] = 0.00284127 
 dr_opt[64][2] = -0.0648679 
 dr_opt[65][0] = 0.0342423 
 dr_opt[65][1] = 0.0103265 
 dr_opt[65][2] = -0.0628298 
 dr_opt[66][0] = -0.012883 
 dr_opt[66][1] = 0.0173179 
 dr_opt[66][2] = -0.0679299 
 dr_opt[67][0] = -0.0583446 
 dr_opt[67][1] = 0.0248033 
 dr_opt[67][2] = -0.0658917 
 dr_opt[68][0] = 0.034356 
 dr_opt[68][1] = 0.00843522 
 dr_opt[68][2] = 0.0175727 
 dr_opt[69][0] = 0.00892924 
 dr_opt[69][1] = -0.0393133 
 dr_opt[69][2] = 0.00277981 
 dr_opt[70][0] = -0.0516874 
 dr_opt[70][1] = -0.0867074 
 dr_opt[70][2] = 0.0213811 
 dr_opt[71][0] = -0.0771151 
 dr_opt[71][1] = -0.134457 
 dr_opt[71][2] = 0.00658829 
 dr_opt[72][0] = 0 
 dr_opt[72][1] = 0 
 dr_opt[72][2] = 0 
 dr_opt[73][0] = 0 
 dr_opt[73][1] = 0 
 dr_opt[73][2] = 0 
 dr_opt[74][0] = 0 
 dr_opt[74][1] = 0 
 dr_opt[74][2] = 0 
 dr_opt[75][0] = 0 
 dr_opt[75][1] = 0 
 dr_opt[75][2] = 0 
 dr_opt[76][0] = 0.0328696 
 dr_opt[76][1] = -0.00467592 
 dr_opt[76][2] = -0.0552816 
 dr_opt[77][0] = 0.0453627 
 dr_opt[77][1] = -0.0285014 
 dr_opt[77][2] = -0.0610835 
 dr_opt[78][0] = 0.0854894 
 dr_opt[78][1] = -0.0494079 
 dr_opt[78][2] = -0.0478252 
 dr_opt[79][0] = 0.0979821 
 dr_opt[79][1] = -0.0732329 
 dr_opt[79][2] = -0.0536271 
 dr_opt[80][0] = -0.0711968 
 dr_opt[80][1] = 0.127754 
 dr_opt[80][2] = 0.0501299 
 dr_opt[81][0] = 0.0397269 
 dr_opt[81][1] = 0.0827174 
 dr_opt[81][2] = 0.0337058 
 dr_opt[82][0] = 0.119411 
 dr_opt[82][1] = 0.0364149 
 dr_opt[82][2] = 0.0501096 
 dr_opt[83][0] = 0.230334 
 dr_opt[83][1] = -0.00862187 
 dr_opt[83][2] = 0.0336857 
 dr_opt[84][0] = 0 
 dr_opt[84][1] = 0 
 dr_opt[84][2] = 0 
 dr_opt[85][0] = 0 
 dr_opt[85][1] = 0 
 dr_opt[85][2] = 0 
 dr_opt[86][0] = 0 
 dr_opt[86][1] = 0 
 dr_opt[86][2] = 0 
 dr_opt[87][0] = 0 
 dr_opt[87][1] = 0 
 dr_opt[87][2] = 0 
 dr_opt[88][0] = 0.0554072 
 dr_opt[88][1] = -0.0293563 
 dr_opt[88][2] = 0.0182189 
 dr_opt[89][0] = 0.0359966 
 dr_opt[89][1] = -0.0256009 
 dr_opt[89][2] = 0.0202437 
 dr_opt[90][0] = -0.0253781 
 dr_opt[90][1] = -0.0231204 
 dr_opt[90][2] = 0.0208126 
 dr_opt[91][0] = -0.0447897 
 dr_opt[91][1] = -0.0193649 
 dr_opt[91][2] = 0.0228374 
 dr_opt[92][0] = -0.0597455 
 dr_opt[92][1] = 0.0739989 
 dr_opt[92][2] = -0.0174442 
 dr_opt[93][0] = -0.0684804 
 dr_opt[93][1] = 0.0629024 
 dr_opt[93][2] = -0.0236509 
 dr_opt[94][0] = -0.0349094 
 dr_opt[94][1] = 0.0506914 
 dr_opt[94][2] = -0.016157 
 dr_opt[95][0] = -0.043644 
 dr_opt[95][1] = 0.0395949 
 dr_opt[95][2] = -0.0223635 
 dr_opt[96][0] = 0.143375 
 dr_opt[96][1] = 0.00444901 
 dr_opt[96][2] = -0.0600723 
 dr_opt[97][0] = 0.0837759 
 dr_opt[97][1] = -0.0412465 
 dr_opt[97][2] = -0.0724641 
 dr_opt[98][0] = 0.0582353 
 dr_opt[98][1] = -0.0853588 
 dr_opt[98][2] = -0.0547088 
 dr_opt[99][0] = -0.00136215 
 dr_opt[99][1] = -0.131053 
 dr_opt[99][2] = -0.0671004 
 dr_opt[100][0] = 0 
 dr_opt[100][1] = 0 
 dr_opt[100][2] = 0 
 dr_opt[101][0] = 0 
 dr_opt[101][1] = 0 
 dr_opt[101][2] = 0 
 dr_opt[102][0] = 0 
 dr_opt[102][1] = 0 
 dr_opt[102][2] = 0 
 dr_opt[103][0] = 0 
 dr_opt[103][1] = 0 
 dr_opt[103][2] = 0 
 dr_opt[104][0] = 0 
 dr_opt[104][1] = 0 
 dr_opt[104][2] = 0 
 dr_opt[105][0] = 0 
 dr_opt[105][1] = 0 
 dr_opt[105][2] = 0 
 dr_opt[106][0] = 0 
 dr_opt[106][1] = 0 
 dr_opt[106][2] = 0 
 dr_opt[107][0] = 0 
 dr_opt[107][1] = 0 
 dr_opt[107][2] = 0 
 dr_opt[108][0] = 0.114519 
 dr_opt[108][1] = 0.0342649 
 dr_opt[108][2] = 0.0652569 
 dr_opt[109][0] = 0.0706265 
 dr_opt[109][1] = 0.0123121 
 dr_opt[109][2] = 0.0579081 
 dr_opt[110][0] = 0.0340286 
 dr_opt[110][1] = -0.00931652 
 dr_opt[110][2] = 0.0646553 
 dr_opt[111][0] = -0.00986288 
 dr_opt[111][1] = -0.0312689 
 dr_opt[111][2] = 0.0573066 
 dr_opt[112][0] = -0.220509 
 dr_opt[112][1] = -0.140032 
 dr_opt[112][2] = -0.0910069 
 dr_opt[113][0] = -0.147989 
 dr_opt[113][1] = -0.0521267 
 dr_opt[113][2] = -0.0695264 
 dr_opt[114][0] = -0.0473217 
 dr_opt[114][1] = 0.0286198 
 dr_opt[114][2] = -0.114354 
 dr_opt[115][0] = 0.0251981 
 dr_opt[115][1] = 0.116525 
 dr_opt[115][2] = -0.0928736 
 dr_opt[116][0] = 0 
 dr_opt[116][1] = 0 
 dr_opt[116][2] = 0 
 dr_opt[117][0] = 0 
 dr_opt[117][1] = 0 
 dr_opt[117][2] = 0 
 dr_opt[118][0] = 0 
 dr_opt[118][1] = 0 
 dr_opt[118][2] = 0 
 dr_opt[119][0] = 0 
 dr_opt[119][1] = 0 
 dr_opt[119][2] = 0 
 dr_opt[120][0] = 0 
 dr_opt[120][1] = 0 
 dr_opt[120][2] = 0 
 dr_opt[121][0] = 0 
 dr_opt[121][1] = 0 
 dr_opt[121][2] = 0 
 dr_opt[122][0] = 0 
 dr_opt[122][1] = 0 
 dr_opt[122][2] = 0 
 dr_opt[123][0] = 0 
 dr_opt[123][1] = 0 
 dr_opt[123][2] = 0 
 dr_opt[124][0] = 0.173557 
 dr_opt[124][1] = 0.0155822 
 dr_opt[124][2] = 0.0377526 
 dr_opt[125][0] = 0.10828 
 dr_opt[125][1] = -0.00980752 
 dr_opt[125][2] = 0.0333625 
 dr_opt[126][0] = 0.0336874 
 dr_opt[126][1] = -0.0334853 
 dr_opt[126][2] = 0.0463765 
 dr_opt[127][0] = -0.0315886 
 dr_opt[127][1] = -0.058875 
 dr_opt[127][2] = 0.0419864 
 dr_opt[128][0] = 0.167755 
 dr_opt[128][1] = -0.111713 
 dr_opt[128][2] = 0.0162995 
 dr_opt[129][0] = 0.0938291 
 dr_opt[129][1] = -0.0440458 
 dr_opt[129][2] = 0.0382013 
 dr_opt[130][0] = 0.0441771 
 dr_opt[130][1] = 0.0249876 
 dr_opt[130][2] = 0.00833464 
 dr_opt[131][0] = -0.0297485 
 dr_opt[131][1] = 0.0926552 
 dr_opt[131][2] = 0.0302364 
 dr_opt[132][0] = -0.0783423 
 dr_opt[132][1] = -0.0777168 
 dr_opt[132][2] = 0.0425703 
 dr_opt[133][0] = -0.0640123 
 dr_opt[133][1] = -0.0491134 
 dr_opt[133][2] = 0.0501194 
 dr_opt[134][0] = 0.00650747 
 dr_opt[134][1] = -0.0224529 
 dr_opt[134][2] = 0.033669 
 dr_opt[135][0] = 0.0208387 
 dr_opt[135][1] = 0.00615107 
 dr_opt[135][2] = 0.041218 
 dr_opt[136][0] = 0 
 dr_opt[136][1] = 0 
 dr_opt[136][2] = 0 
 dr_opt[137][0] = 0 
 dr_opt[137][1] = 0 
 dr_opt[137][2] = 0 
 dr_opt[138][0] = 0 
 dr_opt[138][1] = 0 
 dr_opt[138][2] = 0 
 dr_opt[139][0] = 0 
 dr_opt[139][1] = 0 
 dr_opt[139][2] = 0 
 dr_opt[140][0] = 0 
 dr_opt[140][1] = 0 
 dr_opt[140][2] = 0 
 dr_opt[141][0] = 0 
 dr_opt[141][1] = 0 
 dr_opt[141][2] = 0 
 dr_opt[142][0] = 0 
 dr_opt[142][1] = 0 
 dr_opt[142][2] = 0 
 dr_opt[143][0] = 0 
 dr_opt[143][1] = 0 
 dr_opt[143][2] = 0 
 dr_opt[144][0] = 0 
 dr_opt[144][1] = 0 
 dr_opt[144][2] = 0 
 dr_opt[145][0] = 0 
 dr_opt[145][1] = 0 
 dr_opt[145][2] = 0 
 dr_opt[146][0] = 0 
 dr_opt[146][1] = 0 
 dr_opt[146][2] = 0 
 dr_opt[147][0] = 0 
 dr_opt[147][1] = 0 
 dr_opt[147][2] = 0 
 dr_opt[148][0] = -0.0665576 
 dr_opt[148][1] = -0.0256805 
 dr_opt[148][2] = 0.00327528 
 dr_opt[149][0] = -0.00366035 
 dr_opt[149][1] = 0.00591814 
 dr_opt[149][2] = 0.0119327 
 dr_opt[150][0] = 0.0450533 
 dr_opt[150][1] = 0.0355484 
 dr_opt[150][2] = -0.0011849 
 dr_opt[151][0] = 0.107949 
 dr_opt[151][1] = 0.0671465 
 dr_opt[151][2] = 0.00747253 
 dr_opt[152][0] = 0 
 dr_opt[152][1] = 0 
 dr_opt[152][2] = 0 
 dr_opt[153][0] = 0 
 dr_opt[153][1] = 0 
 dr_opt[153][2] = 0 
 dr_opt[154][0] = 0 
 dr_opt[154][1] = 0 
 dr_opt[154][2] = 0 
 dr_opt[155][0] = 0 
 dr_opt[155][1] = 0 
 dr_opt[155][2] = 0 
 dr_opt[156][0] = 0.126386 
 dr_opt[156][1] = -0.0784837 
 dr_opt[156][2] = -0.0625306 
 dr_opt[157][0] = 0.115274 
 dr_opt[157][1] = -0.027444 
 dr_opt[157][2] = -0.0533507 
 dr_opt[158][0] = 0.0607038 
 dr_opt[158][1] = 0.0179595 
 dr_opt[158][2] = -0.083604 
 dr_opt[159][0] = 0.0495913 
 dr_opt[159][1] = 0.0689993 
 dr_opt[159][2] = -0.074424 
 n_atoms 160 dr2 0.00834722 opt_time 0.366 opt_time_old 0.350384
   dr_max_old = 0.0805255, efficiency_old = 0.473077 / cpu s
   dr_max = 0.073205, efficiency = 0.53453 / cpu s
   dr_max = 0.06655
   du_max = 0.0166375

Adjusting maximum size of molecule moves
 dr_opt[0][0] = -0.00134964 
 dr_opt[0][1] = -0.00232566 
 dr_opt[0][2] = 0.062032 
 dr_opt[1][0] = -0.000747754 
 dr_opt[1][1] = -0.00670657 
 dr_opt[1][2] = 0.0602978 
 dr_opt[2][0] = -0.0421393 
 dr_opt[2][1] = -0.0113428 
 dr_opt[2][2] = 0.0618212 
 dr_opt[3][0] = -0.0415377 
 dr_opt[3][1] = -0.0157238 
 dr_opt[3][2] = 0.060087 
 dr_opt[4][0] = 0 
 dr_opt[4][1] = 0 
 dr_opt[4][2] = 0 
 dr_opt[5][0] = 0 
 dr_opt[5][1] = 0 
 dr_opt[5][2] = 0 
 dr_opt[6][0] = 0 
 dr_opt[6][1] = 0 
 dr_opt[6][2] = 0 
 dr_opt[7][0] = 0 
 dr_opt[7][1] = 0 
 dr_opt[7][2] = 0 
 dr_opt[8][0] = 0 
 dr_opt[8][1] = 0 
 dr_opt[8][2] = 0 
 dr_opt[9][0] = 0 
 dr_opt[9][1] = 0 
 dr_opt[9][2] = 0 
 dr_opt[10][0] = 0 
 dr_opt[10][1] = 0 
 dr_opt[10][2] = 0 
 dr_opt[11][0] = 0 
 dr_opt[11][1] = 0 
 dr_opt[11][2] = 0 
 dr_opt[12][0] = 0.080244 
 dr_opt[12][1] = 0.0407903 
 dr_opt[12][2] = -0.0950324 
 dr_opt[13][0] = 0.105239 
 dr_opt[13][1] = 0.02879 
 dr_opt[13][2] = -0.0984646 
 dr_opt[14][0] = 0.0950087 
 dr_opt[14][1] = 0.0188543 
 dr_opt[14][2] = -0.0930142 
 dr_opt[15][0] = 0.120004 
 dr_opt[15][1] = 0.00685382 
 dr_opt[15][2] = -0.0964464 
 dr_opt[16][0] = 0 
 dr_opt[16][1] = 0 
 dr_opt[16][2] = 0 
 dr_opt[17][0] = 0 
 dr_opt[17][1] = 0 
 dr_opt[17][2] = 0 
 dr_opt[18][0] = 0 
 dr_opt[18][1] = 0 
 dr_opt[18][2] = 0 
 dr_opt[19][0] = 0 
 dr_opt[19][1] = 0 
 dr_opt[19][2] = 0 
 dr_opt[20][0] = -0.0509305 
 dr_opt[20][1] = -0.122127 
 dr_opt[20][2] = 0.0567377 
 dr_opt[21][0] = -0.0574048 
 dr_opt[21][1] = -0.0730413 
 dr_opt[21][2] = 0.0719623 
 dr_opt[22][0] = -0.0433349 
 dr_opt[22][1] = -0.0234711 
 dr_opt[22][2] = 0.0524385 
 dr_opt[23][0] = -0.0498091 
 dr_opt[23][1] = 0.0256148 
 dr_opt[23][2] = 0.0676629 
 dr_opt[24][0] = 0 
 dr_opt[24][1] = 0 
 dr_opt[24][2] = 0 
 dr_opt[25][0] = 0 
 dr_opt[25][1] = 0 
 dr_opt[25][2] = 0 
 dr_opt[26][0] = 0 
 dr_opt[26][1] = 0 
 dr_opt[26][2] = 0 
 dr_opt[27][0] = 0 
 dr_opt[27][1] = 0 
 dr_opt[27][2] = 0 
 dr_opt[28][0] = 0 
 dr_opt[28][1] = 0 
 dr_opt[28][2] = 0 
 dr_opt[29][0] = 0 
 dr_opt[29][1] = 0 
 dr_opt[29][2] = 0 
 dr_opt[30][0] = 0 
 dr_opt[30][1] = 0 
 dr_opt[30][2] = 0 
 dr_opt[31][0] = 0 
 dr_opt[31][1] = 0 
 dr_opt[31][2] = 0 
 dr_opt[32][0] = 0.0641141 
 dr_opt[32][1] = 0.0721401 
 dr_opt[32][2] = -0.0503283 
 dr_opt[33][0] = 0.0679556 
 dr_opt[33][1] = 0.0164588 
 dr_opt[33][2] = -0.066872 
 dr_opt[34][0] = 0.0517628 
 dr_opt[34][1] = -0.0364912 
 dr_opt[34][2] = -0.0449783 
 dr_opt[35][0] = 0.0556041 
 dr_opt[35][1] = -0.0921737 
 dr_opt[35][2] = -0.0615221 
 dr_opt[36][0] = -0.0211838 
 dr_opt[36][1] = 0.0337278 
 dr_opt[36][2] = 0.00563966 
 dr_opt[37][0] = 0.00425762 
 dr_opt[37][1] = -0.0124427 
 dr_opt[37][2] = -0.0109229 
 dr_opt[38][0] = 0.0577431 
 dr_opt[38][1] = -0.0597224 
 dr_opt[38][2] = 0.00736369 
 dr_opt[39][0] = 0.0831851 
 dr_opt[39][1] = -0.105894 
 dr_opt[39][2] = -0.00919923 
 dr_opt[40][0] = 0.0240796 
 dr_opt[40][1] = 0.0792359 
 dr_opt[40][2] = -0.00491792 
 dr_opt[41][0] = 0.00710461 
 dr_opt[41][1] = 0.0484842 
 dr_opt[41][2] = -0.0130758 
 dr_opt[42][0] = -0.000140179 
 dr_opt[42][1] = 0.01972 
 dr_opt[42][2] = 0.000103775 
 dr_opt[43][0] = -0.0171152 
 dr_opt[43][1] = -0.0110317 
 dr_opt[43][2] = -0.00805395 
 dr_opt[44][0] = -0.0650809 
 dr_opt[44][1] = -0.144402 
 dr_opt[44][2] = -0.0125904 
 dr_opt[45][0] = -0.0168282 
 dr_opt[45][1] = -0.08169 
 dr_opt[45][2] = 0.000312878 
 dr_opt[46][0] = 0.0524982 
 dr_opt[46][1] = -0.0247467 
 dr_opt[46][2] = -0.0302939 
 dr_opt[47][0] = 0.100751 
 dr_opt[47][1] = 0.0379655 
 dr_opt[47][2] = -0.0173906 
 dr_opt[48][0] = 0 
 dr_opt[48][1] = 0 
 dr_opt[48][2] = 0 
 dr_opt[49][0] = 0 
 dr_opt[49][1] = 0 
 dr_opt[49][2] = 0 
 dr_opt[50][0] = 0 
 dr_opt[50][1] = 0 
 dr_opt[50][2] = 0 
 dr_opt[51][0] = 0 
 dr_opt[51][1] = 0 
 dr_opt[51][2] = 0 
 dr_opt[52][0] = 0 
 dr_opt[52][1] = 0 
 dr_opt[52][2] = 0 
 dr_opt[53][0] = 0 
 dr_opt[53][1] = 0 
 dr_opt[53][2] = 0 
 dr_opt[54][0] = 0 
 dr_opt[54][1] = 0 
 dr_opt[54][2] = 0 
 dr_opt[55][0] = 0 
 dr_opt[55][1] = 0 
 dr_opt[55][2] = 0 
 dr_opt[56][0] = 0 
 dr_opt[56][1] = 0 
 dr_opt[56][2] = 0 
 dr_opt[57][0] = 0 
 dr_opt[57][1] = 0 
 dr_opt[57][2] = 0 
 dr_opt[58][0] = 0 
 dr_opt[58][1] = 0 
 dr_opt[58][2] = 0 
 dr_opt[59][0] = 0 
 dr_opt[59][1] = 0 
 dr_opt[59][2] = 0 
 dr_opt[60][0] = -0.115977 
 dr_opt[60][1] = 0.15609 
 dr_opt[60][2] = -0.106352 
 dr_opt[61][0] = -0.059909 
 dr_opt[61][1] = 0.0872422 
 dr_opt[61][2] = -0.122613 
 dr_opt[62][0] = -0.0264467 
 dr_opt[62][1] = 0.0242231 
 dr_opt[62][2] = -0.0917196 
 dr_opt[63][0] = 0.0296206 
 dr_opt[63][1] = -0.0446231 
 dr_opt[63][2] = -0.107981 
 dr_opt[64][0] = 0.0603321 
 dr_opt[64][1] = -0.104091 
 dr_opt[64][2] = 0.0467693 
 dr_opt[65][0] = 0.0473233 
 dr_opt[65][1] = -0.0627632 
 dr_opt[65][2] = 0.058414 
 dr_opt[66][0] = 0.0331929 
 dr_opt[66][1] = -0.0235985 
 dr_opt[66][2] = 0.040181 
 dr_opt[67][0] = 0.0201839 
 dr_opt[67][1] = 0.0177302 
 dr_opt[67][2] = 0.0518257 
 dr_opt[68][0] = -0.0476625 
 dr_opt[68][1] = -0.0223223 
 dr_opt[68][2] = -0.0567055 
 dr_opt[69][0] = -0.0680989 
 dr_opt[69][1] = 0.0245533 
 dr_opt[69][2] = -0.0421477 
 dr_opt[70][0] = -0.0601505 
 dr_opt[70][1] = 0.0709067 
 dr_opt[70][2] = -0.0611718 
 dr_opt[71][0] = -0.080587 
 dr_opt[71][1] = 0.117783 
 dr_opt[71][2] = -0.0466141 
 dr_opt[72][0] = 0 
 dr_opt[72][1] = 0 
 dr_opt[72][2] = 0 
 dr_opt[73][0] = 0 
 dr_opt[73][1] = 0 
 dr_opt[73][2] = 0 
 dr_opt[74][0] = 0 
 dr_opt[74][1] = 0 
 dr_opt[74][2] = 0 
 dr_opt[75][0] = 0 
 dr_opt[75][1] = 0 
 dr_opt[75][2] = 0 
 dr_opt[76][0] = 0.116778 
 dr_opt[76][1] = -0.0766723 
 dr_opt[76][2] = -0.0365292 
 dr_opt[77][0] = 0.0817201 
 dr_opt[77][1] = -0.0232803 
 dr_opt[77][2] = -0.0245234 
 dr_opt[78][0] = 0.0116584 
 dr_opt[78][1] = 0.0244454 
 dr_opt[78][2] = -0.0539518 
 dr_opt[79][0] = -0.0233984 
 dr_opt[79][1] = 0.0778363 
 dr_opt[79][2] = -0.041946 
 dr_opt[80][0] = 0.0640921 
 dr_opt[80][1] = -0.0260247 
 dr_opt[80][2] = -0.0109258 
 dr_opt[81][0] = 0.0276502 
 dr_opt[81][1] = -0.0463958 
 dr_opt[81][2] = -0.0194817 
 dr_opt[82][0] = -0.0225276 
 dr_opt[82][1] = -0.0678074 
 dr_opt[82][2] = -0.0134729 
 dr_opt[83][0] = -0.0589695 
 dr_opt[83][1] = -0.0881784 
 dr_opt[83][2] = -0.0220287 
 dr_opt[84][0] = -0.0600378 
 dr_opt[84][1] = 0.0019135 
 dr_opt[84][2] = 0.0185167 
 dr_opt[85][0] = -0.00679609 
 dr_opt[85][1] = 0.0455857 
 dr_opt[85][2] = 0.0300764 
 dr_opt[86][0] = 0.0269574 
 dr_opt[86][1] = 0.0840116 
 dr_opt[86][2] = 0.0157665 
 dr_opt[87][0] = 0.0801982 
 dr_opt[87][1] = 0.127683 
 dr_opt[87][2] = 0.0273263 
 dr_opt[88][0] = 0 
 dr_opt[88][1] = 0 
 dr_opt[88][2] = 0 
 dr_opt[89][0] = 0 
 dr_opt[89][1] = 0 
 dr_opt[89][2] = 0 
 dr_opt[90][0] = 0 
 dr_opt[90][1] = 0 
 dr_opt[90][2] = 0 
 dr_opt[91][0] = 0 
 dr_opt[91][1] = 0 
 dr_opt[91][2] = 0 
 dr_opt[92][0] = -0.025562 
 dr_opt[92][1] = -0.0959262 
 dr_opt[92][2] = 0.0377978 
 dr_opt[93][0] = 0.00896362 
 dr_opt[93][1] = -0.0559048 
 dr_opt[93][2] = 0.0599089 
 dr_opt[94][0] = 0.0126429 
 dr_opt[94][1] = -0.0133219 
 dr_opt[94][2] = 0.04801 
 dr_opt[95][0] = 0.0471683 
 dr_opt[95][1] = 0.0266994 
 dr_opt[95][2] = 0.0701208 
 dr_opt[96][0] = -0.0156721 
 dr_opt[96][1] = 0.0669142 
 dr_opt[96][2] = 0.0339489 
 dr_opt[97][0] = -0.0471433 
 dr_opt[97][1] = 0.0618415 
 dr_opt[97][2] = 0.0331553 
 dr_opt[98][0] = -0.0530077 
 dr_opt[98][1] = 0.0570628 
 dr_opt[98][2] = 0.03506 
 dr_opt[99][0] = -0.0844783 
 dr_opt[99][1] = 0.0519902 
 dr_opt[99][2] = 0.0342665 
 dr_opt[100][0] = -0.0220468 
 dr_opt[100][1] = 0.0515057 
 dr_opt[100][2] = -0.0677488 
 dr_opt[101][0] = -0.00585927 
 dr_opt[101][1] = 0.0378825 
 dr_opt[101][2] = -0.0705296 
 dr_opt[102][0] = 0.0411233 
 dr_opt[102][1] = 0.0232437 
 dr_opt[102][2] = -0.062012 
 dr_opt[103][0] = 0.0573108 
 dr_opt[103][1] = 0.00962052 
 dr_opt[103][2] = -0.0647927 
 dr_opt[104][0] = 0 
 dr_opt[104][1] = 0 
 dr_opt[104][2] = 0 
 dr_opt[105][0] = 0 
 dr_opt[105][1] = 0 
 dr_opt[105][2] = 0 
 dr_opt[106][0] = 0 
 dr_opt[106][1] = 0 
 dr_opt[106][2] = 0 
 dr_opt[107][0] = 0 
 dr_opt[107][1] = 0 
 dr_opt[107][2] = 0 
 dr_opt[108][0] = 0.182721 
 dr_opt[108][1] = 0.042165 
 dr_opt[108][2] = 0.00113004 
 dr_opt[109][0] = 0.0925557 
 dr_opt[109][1] = 0.00703094 
 dr_opt[109][2] = -0.0141052 
 dr_opt[110][0] = 0.015583 
 dr_opt[110][1] = -0.0279021 
 dr_opt[110][2] = -0.00652286 
 dr_opt[111][0] = -0.0745807 
 dr_opt[111][1] = -0.0630354 
 dr_opt[111][2] = -0.0217579 
 dr_opt[112][0] = -0.0373703 
 dr_opt[112][1] = 0.0147607 
 dr_opt[112][2] = -0.0512286 
 dr_opt[113][0] = -0.0523219 
 dr_opt[113][1] = 0.000323965 
 dr_opt[113][2] = -0.0541401 
 dr_opt[114][0] = -0.0224226 
 dr_opt[114][1] = -0.016805 
 dr_opt[114][2] = -0.04921 
 dr_opt[115][0] = -0.0373742 
 dr_opt[115][1] = -0.0312418 
 dr_opt[115][2] = -0.0521216 
 dr_opt[116][0] = 0.0626737 
 dr_opt[116][1] = 0.0414376 
 dr_opt[116][2] = 0.0600021 
 dr_opt[117][0] = 0.0140101 
 dr_opt[117][1] = 0.037802 
 dr_opt[117][2] = 0.0575387 
 dr_opt[118][0] = 0.00849489 
 dr_opt[118][1] = 0.0328864 
 dr_opt[118][2] = 0.0602316 
 dr_opt[119][0] = -0.0401687 
 dr_opt[119][1] = 0.0292508 
 dr_opt[119][2] = 0.0577681 
 dr_opt[120][0] = 0.0469669 
 dr_opt[120][1] = 0.176756 
 dr_opt[120][2] = -0.0039373 
 dr_opt[121][0] = 0.0463761 
 dr_opt[121][1] = 0.105245 
 dr_opt[121][2] = -0.0266336 
 dr_opt[122][0] = -0.0198606 
 dr_opt[122][1] = 0.0308915 
 dr_opt[122][2] = -0.00226811 
 dr_opt[123][0] = -0.0204521 
 dr_opt[123][1] = -0.0406206 
 dr_opt[123][2] = -0.0249644 
 dr_opt[124][0] = 0 
 dr_opt[124][1] = 0 
 dr_opt[124][2] = 0 
 dr_opt[125][0] = 0 
 dr_opt[125][1] = 0 
 dr_opt[125][2] = 0 
 dr_opt[126][0] = 0 
 dr_opt[126][1] = 0 
 dr_opt[126][2] = 0 
 dr_opt[127][0] = 0 
 dr_opt[127][1] = 0 
 dr_opt[127][2] = 0 
 dr_opt[128][0] = 0 
 dr_opt[128][1] = 0 
 dr_opt[128][2] = 0 
 dr_opt[129][0] = 0 
 dr_opt[129][1] = 0 
 dr_opt[129][2] = 0 
 dr_opt[130][0] = 0 
 dr_opt[130][1] = 0 
 dr_opt[130][2] = 0 
 dr_opt[131][0] = 0 
 dr_opt[131][1] = 0 
 dr_opt[131][2] = 0 
 dr_opt[132][0] = 0 
 dr_opt[132][1] = 0 
 dr_opt[132][2] = 0 
 dr_opt[133][0] = 0 
 dr_opt[133][1] = 0 
 dr_opt[133][2] = 0 
 dr_opt[134][0] = 0 
 dr_opt[134][1] = 0 
 dr_opt[134][2] = 0 
 dr_opt[135][0] = 0 
 dr_opt[135][1] = 0 
 dr_opt[135][2] = 0 
 dr_opt[136][0] = 0.101301 
 dr_opt[136][1] = -0.0358102 
 dr_opt[136][2] = 0.0390778 
 dr_opt[137][0] = 0.0634492 
 dr_opt[137][1] = -0.0169427 
 dr_opt[137][2] = 0.0432007 
 dr_opt[138][0] = 0.0572428 
 dr_opt[138][1] = 0.00100664 
 dr_opt[138][2] = 0.0347454 
 dr_opt[139][0] = 0.0193913 
 dr_opt[139][1] = 0.0198742 
 dr_opt[139][2] = 0.0388683 
 dr_opt[140][0] = 0 
 dr_opt[140][1] = 0 
 dr_opt[140][2] = 0 
 dr_opt[141][0] = 0 
 dr_opt[141][1] = 0 
 dr_opt[141][2] = 0 
 dr_opt[142][0] = 0 
 dr_opt[142][1] = 0 
 dr_opt[142][2] = 0 
 dr_opt[143][0] = 0 
 dr_opt[143][1] = 0 
 dr_opt[143][2] = 0 
 dr_opt[144][0] = -0.227587 
 dr_opt[144][1] = 0.000747767 
 dr_opt[144][2] = 0.011141 
 dr_opt[145][0] = -0.147395 
 dr_opt[145][1] = -0.0528214 
 dr_opt[145][2] = -0.00254575 
 dr_opt[146][0] = -0.058465 
 dr_opt[146][1] = -0.104261 
 dr_opt[146][2] = 0.0202269 
 dr_opt[147][0] = 0.0217252 
 dr_opt[147][1] = -0.157829 
 dr_opt[147][2] = 0.00654044 
 dr_opt[148][0] = 0 
 dr_opt[148][1] = 0 
 dr_opt[148][2] = 0 
 dr_opt[149][0] = 0 
 dr_opt[149][1] = 0 
 dr_opt[149][2] = 0 
 dr_opt[150][0] = 0 
 dr_opt[150][1] = 0 
 dr_opt[150][2] = 0 
 dr_opt[151][0] = 0 
 dr_opt[151][1] = 0 
 dr_opt[151][2] = 0 
 dr_opt[152][0] = 0 
 dr_opt[152][1] = 0 
 dr_opt[152][2] = 0 
 dr_opt[153][0] = 0 
 dr_opt[153][1] = 0 
 dr_opt[153][2] = 0 
 dr_opt[154][0] = 0 
 dr_opt[154][1] = 0 
 dr_opt[154][2] = 0 
 dr_opt[155][0] = 0 
 dr_opt[155][1] = 0 
 dr_opt[155][2] = 0 
 dr_opt[156][0] = 0.118333 
 dr_opt[156][1] = -0.0688874 
 dr_opt[156][2] = -0.03614 
 dr_opt[157][0] = 0.127838 
 dr_opt[157][1] = -0.0639661 
 dr_opt[157][2] = -0.034347 
 dr_opt[158][0] = 0.0885258 
 dr_opt[158][1] = -0.0616213 
 dr_opt[158][2] = -0.0405735 
 dr_opt[159][0] = 0.0980308 
 dr_opt[159][1] = -0.0567 
 dr_opt[159][2] = -0.0387805 
 n_atoms 160 dr2 0.00630698 opt_time 0.382592 opt_time_old 0.366
   dr_max_old = 0.073205, efficiency_old = 0.53453 / cpu s
   dr_max = 0.06655, efficiency = 0.380121 / cpu s
   dr_max = 0.073205
   du_max = 0.0183013

Adjusting maximum size of molecule moves
 dr_opt[0][0] = -0.00462182 
 dr_opt[0][1] = -0.0438099 
 dr_opt[0][2] = 0.0336899 
 dr_opt[1][0] = -0.00255464 
 dr_opt[1][1] = -0.000940183 
 dr_opt[1][2] = 0.0501309 
 dr_opt[2][0] = 0.038676 
 dr_opt[2][1] = 0.0426684 
 dr_opt[2][2] = 0.0351315 
 dr_opt[3][0] = 0.0407435 
 dr_opt[3][1] = 0.085539 
 dr_opt[3][2] = 0.0515725 
 dr_opt[4][0] = 0 
 dr_opt[4][1] = 0 
 dr_opt[4][2] = 0 
 dr_opt[5][0] = 0 
 dr_opt[5][1] = 0 
 dr_opt[5][2] = 0 
 dr_opt[6][0] = 0 
 dr_opt[6][1] = 0 
 dr_opt[6][2] = 0 
 dr_opt[7][0] = 0 
 dr_opt[7][1] = 0 
 dr_opt[7][2] = 0 
 dr_opt[8][0] = 0 
 dr_opt[8][1] = 0 
 dr_opt[8][2] = 0 
 dr_opt[9][0] = 0 
 dr_opt[9][1] = 0 
 dr_opt[9][2] = 0 
 dr_opt[10][0] = 0 
 dr_opt[10][1] = 0 
 dr_opt[10][2] = 0 
 dr_opt[11][0] = 0 
 dr_opt[11][1] = 0 
 dr_opt[11][2] = 0 
 dr_opt[12][0] = -0.113001 
 dr_opt[12][1] = 0.151637 
 dr_opt[12][2] = 0.0590504 
 dr_opt[13][0] = -0.0579239 
 dr_opt[13][1] = 0.0807786 
 dr_opt[13][2] = 0.0381081 
 dr_opt[14][0] = 0.0485408 
 dr_opt[14][1] = 0.0124726 
 dr_opt[14][2] = 0.0627024 
 dr_opt[15][0] = 0.103619 
 dr_opt[15][1] = -0.058387 
 dr_opt[15][2] = 0.0417601 
 dr_opt[16][0] = 0.0252859 
 dr_opt[16][1] = 0.0163936 
 dr_opt[16][2] = -0.0352923 
 dr_opt[17][0] = 0.0300927 
 dr_opt[17][1] = 0.000615377 
 dr_opt[17][2] = -0.0395781 
 dr_opt[18][0] = 0.0308718 
 dr_opt[18][1] = -0.014167 
 dr_opt[18][2] = -0.0329305 
 dr_opt[19][0] = 0.0356786 
 dr_opt[19][1] = -0.0299455 
 dr_opt[19][2] = -0.0372162 
 dr_opt[20][0] = 0 
 dr_opt[20][1] = 0 
 dr_opt[20][2] = 0 
 dr_opt[21][0] = 0 
 dr_opt[21][1] = 0 
 dr_opt[21][2] = 0 
 dr_opt[22][0] = 0 
 dr_opt[22][1] = 0 
 dr_opt[22][2] = 0 
 dr_opt[23][0] = 0 
 dr_opt[23][1] = 0 
 dr_opt[23][2] = 0 
 dr_opt[24][0] = 0 
 dr_opt[24][1] = 0 
 dr_opt[24][2] = 0 
 dr_opt[25][0] = 0 
 dr_opt[25][1] = 0 
 dr_opt[25][2] = 0 
 dr_opt[26][0] = 0 
 dr_opt[26][1] = 0 
 dr_opt[26][2] = 0 
 dr_opt[27][0] = 0 
 dr_opt[27][1] = 0 
 dr_opt[27][2] = 0 
 dr_opt[28][0] = -0.0738408 
 dr_opt[28][1] = -0.109343 
 dr_opt[28][2] = 0.0547319 
 dr_opt[29][0] = -0.0668171 
 dr_opt[29][1] = -0.0540065 
 dr_opt[29][2] = 0.0671353 
 dr_opt[30][0] = -0.013768 
 dr_opt[30][1] = -0.00558818 
 dr_opt[30][2] = 0.0349209 
 dr_opt[31][0] = -0.00674426 
 dr_opt[31][1] = 0.0497488 
 dr_opt[31][2] = 0.0473243 
 dr_opt[32][0] = 0 
 dr_opt[32][1] = 0 
 dr_opt[32][2] = 0 
 dr_opt[33][0] = 0 
 dr_opt[33][1] = 0 
 dr_opt[33][2] = 0 
 dr_opt[34][0] = 0 
 dr_opt[34][1] = 0 
 dr_opt[34][2] = 0 
 dr_opt[35][0] = 0 
 dr_opt[35][1] = 0 
 dr_opt[35][2] = 0 
 dr_opt[36][0] = -0.0397147 
 dr_opt[36][1] = -0.0520186 
 dr_opt[36][2] = -0.04843 
 dr_opt[37][0] = -0.0527236 
 dr_opt[37][1] = -0.0338423 
 dr_opt[37][2] = -0.0418636 
 dr_opt[38][0] = -0.0451568 
 dr_opt[38][1] = -0.0159821 
 dr_opt[38][2] = -0.0476439 
 dr_opt[39][0] = -0.058166 
 dr_opt[39][1] = 0.00219454 
 dr_opt[39][2] = -0.0410773 
 dr_opt[40][0] = 0 
 dr_opt[40][1] = 0 
 dr_opt[40][2] = 0 
 dr_opt[41][0] = 0 
 dr_opt[41][1] = 0 
 dr_opt[41][2] = 0 
 dr_opt[42][0] = 0 
 dr_opt[42][1] = 0 
 dr_opt[42][2] = 0 
 dr_opt[43][0] = 0 
 dr_opt[43][1] = 0 
 dr_opt[43][2] = 0 
 dr_opt[44][0] = 0 
 dr_opt[44][1] = 0 
 dr_opt[44][2] = 0 
 dr_opt[45][0] = 0 
 dr_opt[45][1] = 0 
 dr_opt[45][2] = 0 
 dr_opt[46][0] = 0 
 dr_opt[46][1] = 0 
 dr_opt[46][2] = 0 
 dr_opt[47][0] = 0 
 dr_opt[47][1] = 0 
 dr_opt[47][2] = 0 
 dr_opt[48][0] = 0.055753 
 dr_opt[48][1] = 0.0175701 
 dr_opt[48][2] = -0.0632414 
 dr_opt[49][0] = 0.0195102 
 dr_opt[49][1] = 0.00531809 
 dr_opt[49][2] = -0.0671757 
 dr_opt[50][0] = 0.00917706 
 dr_opt[50][1] = -0.00545627 
 dr_opt[50][2] = -0.0626399 
 dr_opt[51][0] = -0.0270657 
 dr_opt[51][1] = -0.0177082 
 dr_opt[51][2] = -0.0665743 
 dr_opt[52][0] = 0.0785763 
 dr_opt[52][1] = -0.0583955 
 dr_opt[52][2] = 0.0290047 
 dr_opt[53][0] = 0.0265931 
 dr_opt[53][1] = -0.0207561 
 dr_opt[53][2] = 0.0377379 
 dr_opt[54][0] = 0.0147438 
 dr_opt[54][1] = 0.0166286 
 dr_opt[54][2] = 0.0206931 
 dr_opt[55][0] = -0.0372386 
 dr_opt[55][1] = 0.0542672 
 dr_opt[55][2] = 0.0294263 
 dr_opt[56][0] = -0.0930135 
 dr_opt[56][1] = -0.0541473 
 dr_opt[56][2] = 0.0258763 
 dr_opt[57][0] = -0.0331341 
 dr_opt[57][1] = -0.0325535 
 dr_opt[57][2] = 0.0325694 
 dr_opt[58][0] = 0.0350261 
 dr_opt[58][1] = -0.011717 
 dr_opt[58][2] = 0.022457 
 dr_opt[59][0] = 0.0949056 
 dr_opt[59][1] = 0.00987687 
 dr_opt[59][2] = 0.0291501 
 dr_opt[60][0] = 0.0557955 
 dr_opt[60][1] = -0.0911114 
 dr_opt[60][2] = 0.0488398 
 dr_opt[61][0] = 0.0231549 
 dr_opt[61][1] = -0.0475113 
 dr_opt[61][2] = 0.0596542 
 dr_opt[62][0] = 0.0332099 
 dr_opt[62][1] = -0.00845173 
 dr_opt[62][2] = 0.0403752 
 dr_opt[63][0] = 0.000569891 
 dr_opt[63][1] = 0.0351475 
 dr_opt[63][2] = 0.0511894 
 dr_opt[64][0] = 0 
 dr_opt[64][1] = 0 
 dr_opt[64][2] = 0 
 dr_opt[65][0] = 0 
 dr_opt[65][1] = 0 
 dr_opt[65][2] = 0 
 dr_opt[66][0] = 0 
 dr_opt[66][1] = 0 
 dr_opt[66][2] = 0 
 dr_opt[67][0] = 0 
 dr_opt[67][1] = 0 
 dr_opt[67][2] = 0 
 dr_opt[68][0] = 0 
 dr_opt[68][1] = 0 
 dr_opt[68][2] = 0 
 dr_opt[69][0] = 0 
 dr_opt[69][1] = 0 
 dr_opt[69][2] = 0 
 dr_opt[70][0] = 0 
 dr_opt[70][1] = 0 
 dr_opt[70][2] = 0 
 dr_opt[71][0] = 0 
 dr_opt[71][1] = 0 
 dr_opt[71][2] = 0 
 dr_opt[72][0] = -0.1245 
 dr_opt[72][1] = 0.0673253 
 dr_opt[72][2] = -0.0512587 
 dr_opt[73][0] = -0.121679 
 dr_opt[73][1] = -0.0549998 
 dr_opt[73][2] = -0.0833548 
 dr_opt[74][0] = -0.0613171 
 dr_opt[74][1] = -0.173025 
 dr_opt[74][2] = -0.0294109 
 dr_opt[75][0] = -0.0584963 
 dr_opt[75][1] = -0.295351 
 dr_opt[75][2] = -0.0615072 
 dr_opt[76][0] = -0.0767711 
 dr_opt[76][1] = -0.127478 
 dr_opt[76][2] = -0.0297104 
 dr_opt[77][0] = -0.10151 
 dr_opt[77][1] = -0.125316 
 dr_opt[77][2] = -0.0309657 
 dr_opt[78][0] = -0.110911 
 dr_opt[78][1] = -0.122458 
 dr_opt[78][2] = -0.0335034 
 dr_opt[79][0] = -0.13565 
 dr_opt[79][1] = -0.120296 
 dr_opt[79][2] = -0.0347586 
 dr_opt[80][0] = 0.0880802 
 dr_opt[80][1] = -0.063122 
 dr_opt[80][2] = 0.015209 
 dr_opt[81][0] = 0.056074 
 dr_opt[81][1] = -0.0271892 
 dr_opt[81][2] = 0.0298641 
 dr_opt[82][0] = 0.0319157 
 dr_opt[82][1] = 0.0102342 
 dr_opt[82][2] = 0.0175986 
 dr_opt[83][0] = -9.04293e-05 
 dr_opt[83][1] = 0.0461669 
 dr_opt[83][2] = 0.0322534 
 dr_opt[84][0] = 0.0921937 
 dr_opt[84][1] = 0.0524979 
 dr_opt[84][2] = -0.0289995 
 dr_opt[85][0] = 0.0352529 
 dr_opt[85][1] = 0.0433738 
 dr_opt[85][2] = -0.0314884 
 dr_opt[86][0] = 0.0206761 
 dr_opt[86][1] = 0.0401074 
 dr_opt[86][2] = -0.0314207 
 dr_opt[87][0] = -0.0362639 
 dr_opt[87][1] = 0.0309834 
 dr_opt[87][2] = -0.0339096 
 dr_opt[88][0] = 0.088603 
 dr_opt[88][1] = 0.136974 
 dr_opt[88][2] = -0.0566591 
 dr_opt[89][0] = 0.00250478 
 dr_opt[89][1] = 0.0766117 
 dr_opt[89][2] = -0.0742823 
 dr_opt[90][0] = -0.0360509 
 dr_opt[90][1] = 0.0191708 
 dr_opt[90][2] = -0.0507 
 dr_opt[91][0] = -0.12215 
 dr_opt[91][1] = -0.0411929 
 dr_opt[91][2] = -0.0683229 
 dr_opt[92][0] = 0.0148649 
 dr_opt[92][1] = -0.16982 
 dr_opt[92][2] = -0.081647 
 dr_opt[93][0] = 0.0496226 
 dr_opt[93][1] = -0.103047 
 dr_opt[93][2] = -0.0506127 
 dr_opt[94][0] = 0.0944803 
 dr_opt[94][1] = -0.0342965 
 dr_opt[94][2] = -0.0681937 
 dr_opt[95][0] = 0.129238 
 dr_opt[95][1] = 0.0324765 
 dr_opt[95][2] = -0.0371598 
 dr_opt[96][0] = -0.0386194 
 dr_opt[96][1] = -0.0527804 
 dr_opt[96][2] = -0.0407042 
 dr_opt[97][0] = -0.00667915 
 dr_opt[97][1] = -0.0296249 
 dr_opt[97][2] = -0.0335437 
 dr_opt[98][0] = 0.0687761 
 dr_opt[98][1] = -0.00725577 
 dr_opt[98][2] = -0.0451827 
 dr_opt[99][0] = 0.100716 
 dr_opt[99][1] = 0.0158992 
 dr_opt[99][2] = -0.0380223 
 dr_opt[100][0] = 0 
 dr_opt[100][1] = 0 
 dr_opt[100][2] = 0 
 dr_opt[101][0] = 0 
 dr_opt[101][1] = 0 
 dr_opt[101][2] = 0 
 dr_opt[102][0] = 0 
 dr_opt[102][1] = 0 
 dr_opt[102][2] = 0 
 dr_opt[103][0] = 0 
 dr_opt[103][1] = 0 
 dr_opt[103][2] = 0 
 dr_opt[104][0] = 0.00693722 
 dr_opt[104][1] = 0.0821698 
 dr_opt[104][2] = 0.0570198 
 dr_opt[105][0] = -0.0281342 
 dr_opt[105][1] = 0.0149184 
 dr_opt[105][2] = 0.0367653 
 dr_opt[106][0] = -0.0695181 
 dr_opt[106][1] = -0.0508271 
 dr_opt[106][2] = 0.064221 
 dr_opt[107][0] = -0.10459 
 dr_opt[107][1] = -0.118079 
 dr_opt[107][2] = 0.0439666 
 dr_opt[108][0] = 0 
 dr_opt[108][1] = 0 
 dr_opt[108][2] = 0 
 dr_opt[109][0] = 0 
 dr_opt[109][1] = 0 
 dr_opt[109][2] = 0 
 dr_opt[110][0] = 0 
 dr_opt[110][1] = 0 
 dr_opt[110][2] = 0 
 dr_opt[111][0] = 0 
 dr_opt[111][1] = 0 
 dr_opt[111][2] = 0 
 dr_opt[112][0] = 0.0100132 
 dr_opt[112][1] = 0.130569 
 dr_opt[112][2] = -0.0137264 
 dr_opt[113][0] = 0.0202489 
 dr_opt[113][1] = 0.0807863 
 dr_opt[113][2] = -0.0276572 
 dr_opt[114][0] = 0.0261238 
 dr_opt[114][1] = 0.0346021 
 dr_opt[114][2] = -0.00697616 
 dr_opt[115][0] = 0.0363596 
 dr_opt[115][1] = -0.0151812 
 dr_opt[115][2] = -0.020907 
 dr_opt[116][0] = -0.0777014 
 dr_opt[116][1] = -0.0789803 
 dr_opt[116][2] = 0.0261901 
 dr_opt[117][0] = -0.0618349 
 dr_opt[117][1] = -0.117097 
 dr_opt[117][2] = 0.0189956 
 dr_opt[118][0] = -0.0230444 
 dr_opt[118][1] = -0.153107 
 dr_opt[118][2] = 0.0380604 
 dr_opt[119][0] = -0.00717787 
 dr_opt[119][1] = -0.191224 
 dr_opt[119][2] = 0.030866 
 dr_opt[120][0] = 0.0372366 
 dr_opt[120][1] = 0.0669189 
 dr_opt[120][2] = 0.0479452 
 dr_opt[121][0] = 0.0228281 
 dr_opt[121][1] = 0.000374586 
 dr_opt[121][2] = 0.0235519 
 dr_opt[122][0] = -0.0357618 
 dr_opt[122][1] = -0.0707756 
 dr_opt[122][2] = 0.0423038 
 dr_opt[123][0] = -0.0501711 
 dr_opt[123][1] = -0.137321 
 dr_opt[123][2] = 0.0179104 
 dr_opt[124][0] = 0 
 dr_opt[124][1] = 0 
 dr_opt[124][2] = 0 
 dr_opt[125][0] = 0 
 dr_opt[125][1] = 0 
 dr_opt[125][2] = 0 
 dr_opt[126][0] = 0 
 dr_opt[126][1] = 0 
 dr_opt[126][2] = 0 
 dr_opt[127][0] = 0 
 dr_opt[127][1] = 0 
 dr_opt[127][2] = 0 
 dr_opt[128][0] = 0 
 dr_opt[128][1] = 0 
 dr_opt[128][2] = 0 
 dr_opt[129][0] = 0 
 dr_opt[129][1] = 0 
 dr_opt[129][2] = 0 
 dr_opt[130][0] = 0 
 dr_opt[130][1] = 0 
 dr_opt[130][2] = 0 
 dr_opt[131][0] = 0 
 dr_opt[131][1] = 0 
 dr_opt[131][2] = 0 
 dr_opt[132][0] = 0.0728581 
 dr_opt[132][1] = 0.0841335 
 dr_opt[132][2] = 0.0630756 
 dr_opt[133][0] = 0.0526364 
 dr_opt[133][1] = 0.0688238 
 dr_opt[133][2] = 0.0598042 
 dr_opt[134][0] = 0.0132806 
 dr_opt[134][1] = 0.0547679 
 dr_opt[134][2] = 0.0690259 
 dr_opt[135][0] = -0.0069418 
 dr_opt[135][1] = 0.0394579 
 dr_opt[135][2] = 0.0657545 
 dr_opt[136][0] = 0 
 dr_opt[136][1] = 0 
 dr_opt[136][2] = 0 
 dr_opt[137][0] = 0 
 dr_opt[137][1] = 0 
 dr_opt[137][2] = 0 
 dr_opt[138][0] = 0 
 dr_opt[138][1] = 0 
 dr_opt[138][2] = 0 
 dr_opt[139][0] = 0 
 dr_opt[139][1] = 0 
 dr_opt[139][2] = 0 
 dr_opt[140][0] = 0 
 dr_opt[140][1] = 0 
 dr_opt[140][2] = 0 
 dr_opt[141][0] = 0 
 dr_opt[141][1] = 0 
 dr_opt[141][2] = 0 
 dr_opt[142][0] = 0 
 dr_opt[142][1] = 0 
 dr_opt[142][2] = 0 
 dr_opt[143][0] = 0 
 dr_opt[143][1] = 0 
 dr_opt[143][2] = 0 
 dr_opt[144][0] = 0 
 dr_opt[144][1] = 0 
 dr_opt[144][2] = 0 
 dr_opt[145][0] = 0 
 dr_opt[145][1] = 0 
 dr_opt[145][2] = 0 
 dr_opt[146][0] = 0 
 dr_opt[146][1] = 0 
 dr_opt[146][2] = 0 
 dr_opt[147][0] = 0 
 dr_opt[147][1] = 0 
 dr_opt[147][2] = 0 
 dr_opt[148][0] = 0.0327309 
 dr_opt[148][1] = 0.00135342 
 dr_opt[148][2] = 0.0677305 
 dr_opt[149][0] = 0.0514338 
 dr_opt[149][1] = -0.0205923 
 dr_opt[149][2] = 0.0613737 
 dr_opt[150][0] = 0.0830112 
 dr_opt[150][1] = -0.041062 
 dr_opt[150][2] = 0.0704555 
 dr_opt[151][0] = 0.101714 
 dr_opt[151][1] = -0.0630073 
 dr_opt[151][2] = 0.0640987 
 dr_opt[152][0] = 0.0195607 
 dr_opt[152][1] = -0.0427 
 dr_opt[152][2] = 0.0495044 
 dr_opt[153][0] = 0.0305791 
 dr_opt[153][1] = -0.0603984 
 dr_opt[153][2] = 0.044509 
 dr_opt[154][0] = 0.078923 
 dr_opt[154][1] = -0.0829208 
 dr_opt[154][2] = 0.0520048 
 dr_opt[155][0] = 0.0899409 
 dr_opt[155][1] = -0.100619 
 dr_opt[155][2] = 0.0470094 
 dr_opt[156][0] = 0.00914522 
 dr_opt[156][1] = 0.00626032 
 dr_opt[156][2] = -0.0592981 
 dr_opt[157][0] = -0.0446898 
 dr_opt[157][1] = -0.0439121 
 dr_opt[157][2] = -0.0748256 
 dr_opt[158][0] = -0.0528824 
 dr_opt[158][1] = -0.086788 
 dr_opt[158][2] = -0.0521133 
 dr_opt[159][0] = -0.106717 
 dr_opt[159][1] = -0.136961 
 dr_opt[159][2] = -0.0676409 
 n_atoms 160 dr2 0.00736858 opt_time 0.399184 opt_time_old 0.382592
   dr_max_old = 0.06655, efficiency_old = 0.380121 / cpu s
   dr_max = 0.073205, efficiency = 0.444105 / cpu s
   dr_max = 0.0805255
   du_max = 0.0201314

Adjusting maximum size of molecule moves
 dr_opt[0][0] = -0.105907 
 dr_opt[0][1] = 0.127252 
 dr_opt[0][2] = 0.0629279 
 dr_opt[1][0] = -0.127002 
 dr_opt[1][1] = 0.0313058 
 dr_opt[1][2] = 0.024485 
 dr_opt[2][0] = -0.159578 
 dr_opt[2][1] = -0.0668229 
 dr_opt[2][2] = 0.0567811 
 dr_opt[3][0] = -0.180674 
 dr_opt[3][1] = -0.162771 
 dr_opt[3][2] = 0.0183379 
 dr_opt[4][0] = 0 
 dr_opt[4][1] = 0 
 dr_opt[4][2] = 0 
 dr_opt[5][0] = 0 
 dr_opt[5][1] = 0 
 dr_opt[5][2] = 0 
 dr_opt[6][0] = 0 
 dr_opt[6][1] = 0 
 dr_opt[6][2] = 0 
 dr_opt[7][0] = 0 
 dr_opt[7][1] = 0 
 dr_opt[7][2] = 0 
 dr_opt[8][0] = 0.121054 
 dr_opt[8][1] = 0.171895 
 dr_opt[8][2] = 0.0687358 
 dr_opt[9][0] = 0.0627552 
 dr_opt[9][1] = 0.104774 
 dr_opt[9][2] = 0.0487893 
 dr_opt[10][0] = 0.0060318 
 dr_opt[10][1] = 0.0418225 
 dr_opt[10][2] = 0.0759775 
 dr_opt[11][0] = -0.0522653 
 dr_opt[11][1] = -0.0252976 
 dr_opt[11][2] = 0.0560307 
 dr_opt[12][0] = -0.185792 
 dr_opt[12][1] = 0.0736111 
 dr_opt[12][2] = 0.0185917 
 dr_opt[13][0] = -0.0879121 
 dr_opt[13][1] = 0.0908074 
 dr_opt[13][2] = 0.0151741 
 dr_opt[14][0] = -0.00104925 
 dr_opt[14][1] = 0.107273 
 dr_opt[14][2] = -0.00339397 
 dr_opt[15][0] = 0.0968327 
 dr_opt[15][1] = 0.12447 
 dr_opt[15][2] = -0.00681177 
 dr_opt[16][0] = 0 
 dr_opt[16][1] = 0 
 dr_opt[16][2] = 0 
 dr_opt[17][0] = 0 
 dr_opt[17][1] = 0 
 dr_opt[17][2] = 0 
 dr_opt[18][0] = 0 
 dr_opt[18][1] = 0 
 dr_opt[18][2] = 0 
 dr_opt[19][0] = 0 
 dr_opt[19][1] = 0 
 dr_opt[19][2] = 0 
 dr_opt[20][0] = 0 
 dr_opt[20][1] = 0 
 dr_opt[20][2] = 0 
 dr_opt[21][0] = 0 
 dr_opt[21][1] = 0 
 dr_opt[21][2] = 0 
 dr_opt[22][0] = 0 
 dr_opt[22][1] = 0 
 dr_opt[22][2] = 0 
 dr_opt[23][0] = 0 
 dr_opt[23][1] = 0 
 dr_opt[23][2] = 0 
 dr_opt[24][0] = 0.101402 
 dr_opt[24][1] = -0.0617058 
 dr_opt[24][2] = 0.0244399 
 dr_opt[25][0] = 0.0518077 
 dr_opt[25][1] = -0.072725 
 dr_opt[25][2] = 0.0177149 
 dr_opt[26][0] = -0.00550073 
 dr_opt[26][1] = -0.0837986 
 dr_opt[26][2] = 0.0176704 
 dr_opt[27][0] = -0.0550946 
 dr_opt[27][1] = -0.0948178 
 dr_opt[27][2] = 0.0109455 
 dr_opt[28][0] = 0 
 dr_opt[28][1] = 0 
 dr_opt[28][2] = 0 
 dr_opt[29][0] = 0 
 dr_opt[29][1] = 0 
 dr_opt[29][2] = 0 
 dr_opt[30][0] = 0 
 dr_opt[30][1] = 0 
 dr_opt[30][2] = 0 
 dr_opt[31][0] = 0 
 dr_opt[31][1] = 0 
 dr_opt[31][2] = 0 
 dr_opt[32][0] = 0.0458139 
 dr_opt[32][1] = 0.0479279 
 dr_opt[32][2] = -0.0264767 
 dr_opt[33][0] = 0.0132983 
 dr_opt[33][1] = 0.035857 
 dr_opt[33][2] = -0.0329987 
 dr_opt[34][0] = -0.0665033 
 dr_opt[34][1] = 0.0243323 
 dr_opt[34][2] = -0.0344926 
 dr_opt[35][0] = -0.09902 
 dr_opt[35][1] = 0.0122612 
 dr_opt[35][2] = -0.0410147 
 dr_opt[36][0] = 0 
 dr_opt[36][1] = 0 
 dr_opt[36][2] = 0 
 dr_opt[37][0] = 0 
 dr_opt[37][1] = 0 
 dr_opt[37][2] = 0 
 dr_opt[38][0] = 0 
 dr_opt[38][1] = 0 
 dr_opt[38][2] = 0 
 dr_opt[39][0] = 0 
 dr_opt[39][1] = 0 
 dr_opt[39][2] = 0 
 dr_opt[40][0] = 0 
 dr_opt[40][1] = 0 
 dr_opt[40][2] = 0 
 dr_opt[41][0] = 0 
 dr_opt[41][1] = 0 
 dr_opt[41][2] = 0 
 dr_opt[42][0] = 0 
 dr_opt[42][1] = 0 
 dr_opt[42][2] = 0 
 dr_opt[43][0] = 0 
 dr_opt[43][1] = 0 
 dr_opt[43][2] = 0 
 dr_opt[44][0] = 0.0828017 
 dr_opt[44][1] = -0.0170873 
 dr_opt[44][2] = 0.0746808 
 dr_opt[45][0] = 0.0222205 
 dr_opt[45][1] = 0.0151504 
 dr_opt[45][2] = 0.0814858 
 dr_opt[46][0] = 0.00857524 
 dr_opt[46][1] = 0.0430568 
 dr_opt[46][2] = 0.0662396 
 dr_opt[47][0] = -0.0520059 
 dr_opt[47][1] = 0.0752945 
 dr_opt[47][2] = 0.0730446 
 dr_opt[48][0] = 0.0494178 
 dr_opt[48][1] = -0.148568 
 dr_opt[48][2] = -0.02092 
 dr_opt[49][0] = 0.0379782 
 dr_opt[49][1] = -0.0902919 
 dr_opt[49][2] = -0.00597977 
 dr_opt[50][0] = 0.0635217 
 dr_opt[50][1] = -0.0354911 
 dr_opt[50][2] = -0.0310263 
 dr_opt[51][0] = 0.0520821 
 dr_opt[51][1] = 0.0227851 
 dr_opt[51][2] = -0.016086 
 dr_opt[52][0] = -0.0331169 
 dr_opt[52][1] = -0.0621915 
 dr_opt[52][2] = -0.0113384 
 dr_opt[53][0] = -0.0113612 
 dr_opt[53][1] = -0.0600871 
 dr_opt[53][2] = -0.00949837 
 dr_opt[54][0] = 0.0228759 
 dr_opt[54][1] = -0.057853 
 dr_opt[54][2] = -0.00811843 
 dr_opt[55][0] = 0.0446309 
 dr_opt[55][1] = -0.0557486 
 dr_opt[55][2] = -0.00627845 
 dr_opt[56][0] = 0.0292307 
 dr_opt[56][1] = 0.113635 
 dr_opt[56][2] = 0.073052 
 dr_opt[57][0] = 0.0332566 
 dr_opt[57][1] = 0.0417994 
 dr_opt[57][2] = 0.0483054 
 dr_opt[58][0] = 0.0687314 
 dr_opt[58][1] = -0.030306 
 dr_opt[58][2] = 0.0741607 
 dr_opt[59][0] = 0.0727573 
 dr_opt[59][1] = -0.102141 
 dr_opt[59][2] = 0.0494141 
 dr_opt[60][0] = -0.0469788 
 dr_opt[60][1] = -0.0377031 
 dr_opt[60][2] = -0.00202922 
 dr_opt[61][0] = -0.0132964 
 dr_opt[61][1] = -0.0582582 
 dr_opt[61][2] = -0.00698422 
 dr_opt[62][0] = 0.0595338 
 dr_opt[62][1] = -0.0798716 
 dr_opt[62][2] = 0.000340787 
 dr_opt[63][0] = 0.0932154 
 dr_opt[63][1] = -0.100426 
 dr_opt[63][2] = -0.00461412 
 dr_opt[64][0] = 0.0866846 
 dr_opt[64][1] = -0.108884 
 dr_opt[64][2] = 0.0216525 
 dr_opt[65][0] = 0.00979933 
 dr_opt[65][1] = -0.0535204 
 dr_opt[65][2] = 0.0328011 
 dr_opt[66][0] = -0.0237067 
 dr_opt[66][1] = -0.000196616 
 dr_opt[66][2] = 0.00495497 
 dr_opt[67][0] = -0.100593 
 dr_opt[67][1] = 0.0551685 
 dr_opt[67][2] = 0.0161034 
 dr_opt[68][0] = 0.02721 
 dr_opt[68][1] = 0.0985315 
 dr_opt[68][2] = 0.0467899 
 dr_opt[69][0] = 0.026233 
 dr_opt[69][1] = 0.0267504 
 dr_opt[69][2] = 0.0237762 
 dr_opt[70][0] = 0.0541045 
 dr_opt[70][1] = -0.0425625 
 dr_opt[70][2] = 0.052751 
 dr_opt[71][0] = 0.0531278 
 dr_opt[71][1] = -0.114345 
 dr_opt[71][2] = 0.0297373 
 dr_opt[72][0] = 0 
 dr_opt[72][1] = 0 
 dr_opt[72][2] = 0 
 dr_opt[73][0] = 0 
 dr_opt[73][1] = 0 
 dr_opt[73][2] = 0 
 dr_opt[74][0] = 0 
 dr_opt[74][1] = 0 
 dr_opt[74][2] = 0 
 dr_opt[75][0] = 0 
 dr_opt[75][1] = 0 
 dr_opt[75][2] = 0 
 dr_opt[76][0] = -0.0378474 
 dr_opt[76][1] = -0.0285256 
 dr_opt[76][2] = 0.062964 
 dr_opt[77][0] = -0.0437761 
 dr_opt[77][1] = -0.00701563 
 dr_opt[77][2] = 0.067671 
 dr_opt[78][0] = -0.0879885 
 dr_opt[78][1] = 0.00977113 
 dr_opt[78][2] = 0.0532625 
 dr_opt[79][0] = -0.0939168 
 dr_opt[79][1] = 0.0312807 
 dr_opt[79][2] = 0.0579696 
 dr_opt[80][0] = 0 
 dr_opt[80][1] = 0 
 dr_opt[80][2] = 0 
 dr_opt[81][0] = 0 
 dr_opt[81][1] = 0 
 dr_opt[81][2] = 0 
 dr_opt[82][0] = 0 
 dr_opt[82][1] = 0 
 dr_opt[82][2] = 0 
 dr_opt[83][0] = 0 
 dr_opt[83][1] = 0 
 dr_opt[83][2] = 0 
 dr_opt[84][0] = -0.00163196 
 dr_opt[84][1] = -0.0483886 
 dr_opt[84][2] = -0.00228916 
 dr_opt[85][0] = 0.00394683 
 dr_opt[85][1] = -0.00111124 
 dr_opt[85][2] = 0.00924064 
 dr_opt[86][0] = 0.0572755 
 dr_opt[86][1] = 0.0473255 
 dr_opt[86][2] = -0.00974815 
 dr_opt[87][0] = 0.0628538 
 dr_opt[87][1] = 0.0946018 
 dr_opt[87][2] = 0.00178166 
 dr_opt[88][0] = -0.0620904 
 dr_opt[88][1] = 0.170992 
 dr_opt[88][2] = -0.00855389 
 dr_opt[89][0] = -0.0826776 
 dr_opt[89][1] = 0.154087 
 dr_opt[89][2] = -0.0145103 
 dr_opt[90][0] = -0.00964883 
 dr_opt[90][1] = 0.135082 
 dr_opt[90][2] = -0.00778503 
 dr_opt[91][0] = -0.030235 
 dr_opt[91][1] = 0.118176 
 dr_opt[91][2] = -0.0137414 
 dr_opt[92][0] = -0.0781145 
 dr_opt[92][1] = 0.183204 
 dr_opt[92][2] = -0.0542388 
 dr_opt[93][0] = -0.112682 
 dr_opt[93][1] = 0.065391 
 dr_opt[93][2] = -0.108267 
 dr_opt[94][0] = -0.0594307 
 dr_opt[94][1] = -0.0609312 
 dr_opt[94][2] = -0.0660286 
 dr_opt[95][0] = -0.0939978 
 dr_opt[95][1] = -0.178744 
 dr_opt[95][2] = -0.120056 
 dr_opt[96][0] = 0 
 dr_opt[96][1] = 0 
 dr_opt[96][2] = 0 
 dr_opt[97][0] = 0 
 dr_opt[97][1] = 0 
 dr_opt[97][2] = 0 
 dr_opt[98][0] = 0 
 dr_opt[98][1] = 0 
 dr_opt[98][2] = 0 
 dr_opt[99][0] = 0 
 dr_opt[99][1] = 0 
 dr_opt[99][2] = 0 
 dr_opt[100][0] = 0.0768181 
 dr_opt[100][1] = -0.0657182 
 dr_opt[100][2] = 0.0307195 
 dr_opt[101][0] = 0.0794175 
 dr_opt[101][1] = -0.0318117 
 dr_opt[101][2] = 0.0410062 
 dr_opt[102][0] = 0.041957 
 dr_opt[102][1] = 0.00249353 
 dr_opt[102][2] = 0.0244108 
 dr_opt[103][0] = 0.0445564 
 dr_opt[103][1] = 0.0364 
 dr_opt[103][2] = 0.0346976 
 dr_opt[104][0] = -0.129946 
 dr_opt[104][1] = 0.0302916 
 dr_opt[104][2] = 0.090297 
 dr_opt[105][0] = -0.0858751 
 dr_opt[105][1] = -0.0236515 
 dr_opt[105][2] = 0.0689989 
 dr_opt[106][0] = -0.0486102 
 dr_opt[106][1] = -0.077706 
 dr_opt[106][2] = 0.0883322 
 dr_opt[107][0] = -0.00453928 
 dr_opt[107][1] = -0.131649 
 dr_opt[107][2] = 0.0670341 
 dr_opt[108][0] = 0.0551769 
 dr_opt[108][1] = 0.099762 
 dr_opt[108][2] = -0.0341993 
 dr_opt[109][0] = 0.0136043 
 dr_opt[109][1] = 0.0750657 
 dr_opt[109][2] = -0.0464988 
 dr_opt[110][0] = -0.0191169 
 dr_opt[110][1] = 0.0501238 
 dr_opt[110][2] = -0.0412291 
 dr_opt[111][0] = -0.0606887 
 dr_opt[111][1] = 0.025428 
 dr_opt[111][2] = -0.0535285 
 dr_opt[112][0] = 0.0668016 
 dr_opt[112][1] = 0.135718 
 dr_opt[112][2] = 0.0857498 
 dr_opt[113][0] = 0.0811571 
 dr_opt[113][1] = 0.0632805 
 dr_opt[113][2] = 0.0629008 
 dr_opt[114][0] = 0.0484929 
 dr_opt[114][1] = -0.00242959 
 dr_opt[114][2] = 0.0945755 
 dr_opt[115][0] = 0.0628483 
 dr_opt[115][1] = -0.0748669 
 dr_opt[115][2] = 0.0717266 
 dr_opt[116][0] = 0 
 dr_opt[116][1] = 0 
 dr_opt[116][2] = 0 
 dr_opt[117][0] = 0 
 dr_opt[117][1] = 0 
 dr_opt[117][2] = 0 
 dr_opt[118][0] = 0 
 dr_opt[118][1] = 0 
 dr_opt[118][2] = 0 
 dr_opt[119][0] = 0 
 dr_opt[119][1] = 0 
 dr_opt[119][2] = 0 
 dr_opt[120][0] = -0.110436 
 dr_opt[120][1] = -0.108553 
 dr_opt[120][2] = 0.0371265 
 dr_opt[121][0] = -0.047234 
 dr_opt[121][1] = -0.0150066 
 dr_opt[121][2] = 0.0715865 
 dr_opt[122][0] = 0.0558023 
 dr_opt[122][1] = 0.0821451 
 dr_opt[122][2] = 0.0469507 
 dr_opt[123][0] = 0.119006 
 dr_opt[123][1] = 0.175693 
 dr_opt[123][2] = 0.0814109 
 dr_opt[124][0] = 0 
 dr_opt[124][1] = 0 
 dr_opt[124][2] = 0 
 dr_opt[125][0] = 0 
 dr_opt[125][1] = 0 
 dr_opt[125][2] = 0 
 dr_opt[126][0] = 0 
 dr_opt[126][1] = 0 
 dr_opt[126][2] = 0 
 dr_opt[127][0] = 0 
 dr_opt[127][1] = 0 
 dr_opt[127][2] = 0 
 dr_opt[128][0] = 0 
 dr_opt[128][1] = 0 
 dr_opt[128][2] = 0 
 dr_opt[129][0] = 0 
 dr_opt[129][1] = 0 
 dr_opt[129][2] = 0 
 dr_opt[130][0] = 0 
 dr_opt[130][1] = 0 
 dr_opt[130][2] = 0 
 dr_opt[131][0] = 0 
 dr_opt[131][1] = 0 
 dr_opt[131][2] = 0 
 dr_opt[132][0] = -0.00450499 
 dr_opt[132][1] = 0.103604 
 dr_opt[132][2] = 0.0149012 
 dr_opt[133][0] = -0.0119119 
 dr_opt[133][1] = 0.0689735 
 dr_opt[133][2] = 0.00475217 
 dr_opt[134][0] = -0.102926 
 dr_opt[134][1] = 0.0344487 
 dr_opt[134][2] = 0.0231219 
 dr_opt[135][0] = -0.110334 
 dr_opt[135][1] = -0.000182277 
 dr_opt[135][2] = 0.0129731 
 dr_opt[136][0] = 0 
 dr_opt[136][1] = 0 
 dr_opt[136][2] = 0 
 dr_opt[137][0] = 0 
 dr_opt[137][1] = 0 
 dr_opt[137][2] = 0 
 dr_opt[138][0] = 0 
 dr_opt[138][1] = 0 
 dr_opt[138][2] = 0 
 dr_opt[139][0] = 0 
 dr_opt[139][1] = 0 
 dr_opt[139][2] = 0 
 dr_opt[140][0] = 0.0684963 
 dr_opt[140][1] = 0.148147 
 dr_opt[140][2] = -0.0158804 
 dr_opt[141][0] = 0.0141603 
 dr_opt[141][1] = 0.0758126 
 dr_opt[141][2] = -0.0338891 
 dr_opt[142][0] = -0.0608278 
 dr_opt[142][1] = 0.00934509 
 dr_opt[142][2] = -0.00222404 
 dr_opt[143][0] = -0.115164 
 dr_opt[143][1] = -0.0629893 
 dr_opt[143][2] = -0.0202328 
 dr_opt[144][0] = 0.0594437 
 dr_opt[144][1] = -0.154501 
 dr_opt[144][2] = -0.0842494 
 dr_opt[145][0] = 0.0221887 
 dr_opt[145][1] = -0.10307 
 dr_opt[145][2] = -0.0697349 
 dr_opt[146][0] = 0.0335851 
 dr_opt[146][1] = -0.0565134 
 dr_opt[146][2] = -0.0904854 
 dr_opt[147][0] = -0.00366903 
 dr_opt[147][1] = -0.00508365 
 dr_opt[147][2] = -0.0759711 
 dr_opt[148][0] = 0 
 dr_opt[148][1] = 0 
 dr_opt[148][2] = 0 
 dr_opt[149][0] = 0 
 dr_opt[149][1] = 0 
 dr_opt[149][2] = 0 
 dr_opt[150][0] = 0 
 dr_opt[150][1] = 0 
 dr_opt[150][2] = 0 
 dr_opt[151][0] = 0 
 dr_opt[151][1] = 0 
 dr_opt[151][2] = 0 
 dr_opt[152][0] = 0.00596745 
 dr_opt[152][1] = 0.0355173 
 dr_opt[152][2] = 0.0145572 
 dr_opt[153][0] = 0.0294138 
 dr_opt[153][1] = 0.00732187 
 dr_opt[153][2] = 0.00643094 
 dr_opt[154][0] = 0.0777392 
 dr_opt[154][1] = -0.0246039 
 dr_opt[154][2] = 0.0158832 
 dr_opt[155][0] = 0.101185 
 dr_opt[155][1] = -0.0527986 
 dr_opt[155][2] = 0.00775694 
 dr_opt[156][0] = 0.109117 
 dr_opt[156][1] = 0.0196292 
 dr_opt[156][2] = 0.0500574 
 dr_opt[157][0] = 0.0555953 
 dr_opt[157][1] = -0.00758733 
 dr_opt[157][2] = 0.036987 
 dr_opt[158][0] = -0.00875884 
 dr_opt[158][1] = -0.0326686 
 dr_opt[158][2] = 0.0402253 
 dr_opt[159][0] = -0.0622802 
 dr_opt[159][1] = -0.0598852 
 dr_opt[159][2] = 0.027155 
 n_atoms 160 dr2 0.00917136 opt_time 0.416752 opt_time_old 0.399184
   dr_max_old = 0.073205, efficiency_old = 0.444105 / cpu s
   dr_max = 0.0805255, efficiency = 0.522049 / cpu s
   dr_max = 0.0885781
   du_max = 0.0221445

Adjusting maximum size of molecule moves
 dr_opt[0][0] = 0.0851922 
 dr_opt[0][1] = 0.0222151 
 dr_opt[0][2] = -0.000619722 
 dr_opt[1][0] = -0.0114838 
 dr_opt[1][1] = -0.0347622 
 dr_opt[1][2] = -0.0295571 
 dr_opt[2][0] = -0.0609498 
 dr_opt[2][1] = -0.0959666 
 dr_opt[2][2] = -0.0132073 
 dr_opt[3][0] = -0.157627 
 dr_opt[3][1] = -0.152945 
 dr_opt[3][2] = -0.0421449 
 dr_opt[4][0] = 0 
 dr_opt[4][1] = 0 
 dr_opt[4][2] = 0 
 dr_opt[5][0] = 0 
 dr_opt[5][1] = 0 
 dr_opt[5][2] = 0 
 dr_opt[6][0] = 0 
 dr_opt[6][1] = 0 
 dr_opt[6][2] = 0 
 dr_opt[7][0] = 0 
 dr_opt[7][1] = 0 
 dr_opt[7][2] = 0 
 dr_opt[8][0] = 0 
 dr_opt[8][1] = 0 
 dr_opt[8][2] = 0 
 dr_opt[9][0] = 0 
 dr_opt[9][1] = 0 
 dr_opt[9][2] = 0 
 dr_opt[10][0] = 0 
 dr_opt[10][1] = 0 
 dr_opt[10][2] = 0 
 dr_opt[11][0] = 0 
 dr_opt[11][1] = 0 
 dr_opt[11][2] = 0 
 dr_opt[12][0] = 0.0606903 
 dr_opt[12][1] = 0.0459336 
 dr_opt[12][2] = -0.00626614 
 dr_opt[13][0] = 0.0104455 
 dr_opt[13][1] = 0.0105123 
 dr_opt[13][2] = -0.0114439 
 dr_opt[14][0] = -0.0296618 
 dr_opt[14][1] = -0.0233085 
 dr_opt[14][2] = 0.00951069 
 dr_opt[15][0] = -0.0799076 
 dr_opt[15][1] = -0.0587306 
 dr_opt[15][2] = 0.00433305 
 dr_opt[16][0] = -0.148056 
 dr_opt[16][1] = 0.0594239 
 dr_opt[16][2] = -0.119503 
 dr_opt[17][0] = -0.0440516 
 dr_opt[17][1] = 0.0486238 
 dr_opt[17][2] = -0.122028 
 dr_opt[18][0] = -0.0146799 
 dr_opt[18][1] = 0.0397064 
 dr_opt[18][2] = -0.11834 
 dr_opt[19][0] = 0.089326 
 dr_opt[19][1] = 0.0289061 
 dr_opt[19][2] = -0.120865 
 dr_opt[20][0] = 0 
 dr_opt[20][1] = 0 
 dr_opt[20][2] = 0 
 dr_opt[21][0] = 0 
 dr_opt[21][1] = 0 
 dr_opt[21][2] = 0 
 dr_opt[22][0] = 0 
 dr_opt[22][1] = 0 
 dr_opt[22][2] = 0 
 dr_opt[23][0] = 0 
 dr_opt[23][1] = 0 
 dr_opt[23][2] = 0 
 dr_opt[24][0] = -0.114469 
 dr_opt[24][1] = 0.041817 
 dr_opt[24][2] = 0.0359956 
 dr_opt[25][0] = -0.074025 
 dr_opt[25][1] = -0.0348999 
 dr_opt[25][2] = 0.00975863 
 dr_opt[26][0] = -0.0602473 
 dr_opt[26][1] = -0.112863 
 dr_opt[26][2] = 0.0386331 
 dr_opt[27][0] = -0.0198032 
 dr_opt[27][1] = -0.18958 
 dr_opt[27][2] = 0.0123966 
 dr_opt[28][0] = 0 
 dr_opt[28][1] = 0 
 dr_opt[28][2] = 0 
 dr_opt[29][0] = 0 
 dr_opt[29][1] = 0 
 dr_opt[29][2] = 0 
 dr_opt[30][0] = 0 
 dr_opt[30][1] = 0 
 dr_opt[30][2] = 0 
 dr_opt[31][0] = 0 
 dr_opt[31][1] = 0 
 dr_opt[31][2] = 0 
 dr_opt[32][0] = 0 
 dr_opt[32][1] = 0 
 dr_opt[32][2] = 0 
 dr_opt[33][0] = 0 
 dr_opt[33][1] = 0 
 dr_opt[33][2] = 0 
 dr_opt[34][0] = 0 
 dr_opt[34][1] = 0 
 dr_opt[34][2] = 0 
 dr_opt[35][0] = 0 
 dr_opt[35][1] = 0 
 dr_opt[35][2] = 0 
 dr_opt[36][0] = 0 
 dr_opt[36][1] = 0 
 dr_opt[36][2] = 0 
 dr_opt[37][0] = 0 
 dr_opt[37][1] = 0 
 dr_opt[37][2] = 0 
 dr_opt[38][0] = 0 
 dr_opt[38][1] = 0 
 dr_opt[38][2] = 0 
 dr_opt[39][0] = 0 
 dr_opt[39][1] = 0 
 dr_opt[39][2] = 0 
 dr_opt[40][0] = 0.117367 
 dr_opt[40][1] = 0.097037 
 dr_opt[40][2] = 0.129246 
 dr_opt[41][0] = 0.100931 
 dr_opt[41][1] = 0.0223299 
 dr_opt[41][2] = 0.106651 
 dr_opt[42][0] = 0.0503804 
 dr_opt[42][1] = -0.050737 
 dr_opt[42][2] = 0.136849 
 dr_opt[43][0] = 0.0339439 
 dr_opt[43][1] = -0.125444 
 dr_opt[43][2] = 0.114255 
 dr_opt[44][0] = 0 
 dr_opt[44][1] = 0 
 dr_opt[44][2] = 0 
 dr_opt[45][0] = 0 
 dr_opt[45][1] = 0 
 dr_opt[45][2] = 0 
 dr_opt[46][0] = 0 
 dr_opt[46][1] = 0 
 dr_opt[46][2] = 0 
 dr_opt[47][0] = 0 
 dr_opt[47][1] = 0 
 dr_opt[47][2] = 0 
 dr_opt[48][0] = -0.112864 
 dr_opt[48][1] = -0.148656 
 dr_opt[48][2] = 0.0130112 
 dr_opt[49][0] = -0.125699 
 dr_opt[49][1] = -0.121547 
 dr_opt[49][2] = 0.0190389 
 dr_opt[50][0] = -0.10863 
 dr_opt[50][1] = -0.0970182 
 dr_opt[50][2] = 0.00716655 
 dr_opt[51][0] = -0.121465 
 dr_opt[51][1] = -0.0699092 
 dr_opt[51][2] = 0.0131942 
 dr_opt[52][0] = 0 
 dr_opt[52][1] = 0 
 dr_opt[52][2] = 0 
 dr_opt[53][0] = 0 
 dr_opt[53][1] = 0 
 dr_opt[53][2] = 0 
 dr_opt[54][0] = 0 
 dr_opt[54][1] = 0 
 dr_opt[54][2] = 0 
 dr_opt[55][0] = 0 
 dr_opt[55][1] = 0 
 dr_opt[55][2] = 0 
 dr_opt[56][0] = 0 
 dr_opt[56][1] = 0 
 dr_opt[56][2] = 0 
 dr_opt[57][0] = 0 
 dr_opt[57][1] = 0 
 dr_opt[57][2] = 0 
 dr_opt[58][0] = 0 
 dr_opt[58][1] = 0 
 dr_opt[58][2] = 0 
 dr_opt[59][0] = 0 
 dr_opt[59][1] = 0 
 dr_opt[59][2] = 0 
 dr_opt[60][0] = 0.0448661 
 dr_opt[60][1] = -0.224164 
 dr_opt[60][2] = 0.0180794 
 dr_opt[61][0] = -0.0445392 
 dr_opt[61][1] = -0.12568 
 dr_opt[61][2] = 0.0385527 
 dr_opt[62][0] = -0.173146 
 dr_opt[62][1] = -0.0332534 
 dr_opt[62][2] = -0.00547753 
 dr_opt[63][0] = -0.262549 
 dr_opt[63][1] = 0.0652292 
 dr_opt[63][2] = 0.0149954 
 dr_opt[64][0] = -0.20078 
 dr_opt[64][1] = -0.056653 
 dr_opt[64][2] = 0.056342 
 dr_opt[65][0] = -0.116485 
 dr_opt[65][1] = -0.0353239 
 dr_opt[65][2] = 0.0649301 
 dr_opt[66][0] = -0.0518066 
 dr_opt[66][1] = -0.0161781 
 dr_opt[66][2] = 0.0597561 
 dr_opt[67][0] = 0.0324898 
 dr_opt[67][1] = 0.00515136 
 dr_opt[67][2] = 0.0683442 
 dr_opt[68][0] = 0.0540748 
 dr_opt[68][1] = -0.0143296 
 dr_opt[68][2] = 0.0121286 
 dr_opt[69][0] = 0.00453727 
 dr_opt[69][1] = 0.0409999 
 dr_opt[69][2] = 0.0288878 
 dr_opt[70][0] = -0.097365 
 dr_opt[70][1] = 0.0935834 
 dr_opt[70][2] = 0.00326205 
 dr_opt[71][0] = -0.146904 
 dr_opt[71][1] = 0.148914 
 dr_opt[71][2] = 0.0200212 
 dr_opt[72][0] = 0 
 dr_opt[72][1] = 0 
 dr_opt[72][2] = 0 
 dr_opt[73][0] = 0 
 dr_opt[73][1] = 0 
 dr_opt[73][2] = 0 
 dr_opt[74][0] = 0 
 dr_opt[74][1] = 0 
 dr_opt[74][2] = 0 
 dr_opt[75][0] = 0 
 dr_opt[75][1] = 0 
 dr_opt[75][2] = 0 
 dr_opt[76][0] = 0 
 dr_opt[76][1] = 0 
 dr_opt[76][2] = 0 
 dr_opt[77][0] = 0 
 dr_opt[77][1] = 0 
 dr_opt[77][2] = 0 
 dr_opt[78][0] = 0 
 dr_opt[78][1] = 0 
 dr_opt[78][2] = 0 
 dr_opt[79][0] = 0 
 dr_opt[79][1] = 0 
 dr_opt[79][2] = 0 
 dr_opt[80][0] = 0.0643872 
 dr_opt[80][1] = 0.0977249 
 dr_opt[80][2] = 0.00350987 
 dr_opt[81][0] = 0.0219075 
 dr_opt[81][1] = 0.087979 
 dr_opt[81][2] = -0.00201304 
 dr_opt[82][0] = -0.0740627 
 dr_opt[82][1] = 0.0760856 
 dr_opt[82][2] = -0.00411508 
 dr_opt[83][0] = -0.116543 
 dr_opt[83][1] = 0.0663397 
 dr_opt[83][2] = -0.00963796 
 dr_opt[84][0] = -0.121279 
 dr_opt[84][1] = -0.00111353 
 dr_opt[84][2] = 0.0257729 
 dr_opt[85][0] = -0.0370201 
 dr_opt[85][1] = 0.0489957 
 dr_opt[85][2] = 0.0360245 
 dr_opt[86][0] = -0.015175 
 dr_opt[86][1] = 0.0885461 
 dr_opt[86][2] = 0.01688 
 dr_opt[87][0] = 0.0690826 
 dr_opt[87][1] = 0.138654 
 dr_opt[87][2] = 0.0271315 
 dr_opt[88][0] = -0.0572163 
 dr_opt[88][1] = -0.0570444 
 dr_opt[88][2] = -0.00552696 
 dr_opt[89][0] = -0.024186 
 dr_opt[89][1] = -0.0270807 
 dr_opt[89][2] = 0.00477354 
 dr_opt[90][0] = -0.00764683 
 dr_opt[90][1] = 0.00321252 
 dr_opt[90][2] = -0.00760409 
 dr_opt[91][0] = 0.0253839 
 dr_opt[91][1] = 0.0331769 
 dr_opt[91][2] = 0.00269627 
 dr_opt[92][0] = -0.00170117 
 dr_opt[92][1] = -0.0637233 
 dr_opt[92][2] = -0.00930826 
 dr_opt[93][0] = 0.0246123 
 dr_opt[93][1] = -0.0231056 
 dr_opt[93][2] = 0.0118848 
 dr_opt[94][0] = 0.041561 
 dr_opt[94][1] = 0.0207415 
 dr_opt[94][2] = 0.000544805 
 dr_opt[95][0] = 0.0678744 
 dr_opt[95][1] = 0.0613592 
 dr_opt[95][2] = 0.0217376 
 dr_opt[96][0] = 0 
 dr_opt[96][1] = 0 
 dr_opt[96][2] = 0 
 dr_opt[97][0] = 0 
 dr_opt[97][1] = 0 
 dr_opt[97][2] = 0 
 dr_opt[98][0] = 0 
 dr_opt[98][1] = 0 
 dr_opt[98][2] = 0 
 dr_opt[99][0] = 0 
 dr_opt[99][1] = 0 
 dr_opt[99][2] = 0 
 dr_opt[100][0] = -0.0223298 
 dr_opt[100][1] = -0.130216 
 dr_opt[100][2] = -0.0476749 
 dr_opt[101][0] = -0.0742222 
 dr_opt[101][1] = -0.0523028 
 dr_opt[101][2] = -0.0316306 
 dr_opt[102][0] = -0.0879924 
 dr_opt[102][1] = 0.0194189 
 dr_opt[102][2] = -0.0661357 
 dr_opt[103][0] = -0.139885 
 dr_opt[103][1] = 0.0973324 
 dr_opt[103][2] = -0.0500914 
 dr_opt[104][0] = 0 
 dr_opt[104][1] = 0 
 dr_opt[104][2] = 0 
 dr_opt[105][0] = 0 
 dr_opt[105][1] = 0 
 dr_opt[105][2] = 0 
 dr_opt[106][0] = 0 
 dr_opt[106][1] = 0 
 dr_opt[106][2] = 0 
 dr_opt[107][0] = 0 
 dr_opt[107][1] = 0 
 dr_opt[107][2] = 0 
 dr_opt[108][0] = 0 
 dr_opt[108][1] = 0 
 dr_opt[108][2] = 0 
 dr_opt[109][0] = 0 
 dr_opt[109][1] = 0 
 dr_opt[109][2] = 0 
 dr_opt[110][0] = 0 
 dr_opt[110][1] = 0 
 dr_opt[110][2] = 0 
 dr_opt[111][0] = 0 
 dr_opt[111][1] = 0 
 dr_opt[111][2] = 0 
 dr_opt[112][0] = 0 
 dr_opt[112][1] = 0 
 dr_opt[112][2] = 0 
 dr_opt[113][0] = 0 
 dr_opt[113][1] = 0 
 dr_opt[113][2] = 0 
 dr_opt[114][0] = 0 
 dr_opt[114][1] = 0 
 dr_opt[114][2] = 0 
 dr_opt[115][0] = 0 
 dr_opt[115][1] = 0 
 dr_opt[115][2] = 0 
 dr_opt[116][0] = 0.0139975 
 dr_opt[116][1] = -0.0878061 
 dr_opt[116][2] = -0.0188896 
 dr_opt[117][0] = -0.0576319 
 dr_opt[117][1] = -0.06956 
 dr_opt[117][2] = -0.0192203 
 dr_opt[118][0] = -0.0603478 
 dr_opt[118][1] = -0.059362 
 dr_opt[118][2] = -0.0245489 
 dr_opt[119][0] = -0.131977 
 dr_opt[119][1] = -0.0411158 
 dr_opt[119][2] = -0.0248796 
 dr_opt[120][0] = 0 
 dr_opt[120][1] = 0 
 dr_opt[120][2] = 0 
 dr_opt[121][0] = 0 
 dr_opt[121][1] = 0 
 dr_opt[121][2] = 0 
 dr_opt[122][0] = 0 
 dr_opt[122][1] = 0 
 dr_opt[122][2] = 0 
 dr_opt[123][0] = 0 
 dr_opt[123][1] = 0 
 dr_opt[123][2] = 0 
 dr_opt[124][0] = 0 
 dr_opt[124][1] = 0 
 dr_opt[124][2] = 0 
 dr_opt[125][0] = 0 
 dr_opt[125][1] = 0 
 dr_opt[125][2] = 0 
 dr_opt[126][0] = 0 
 dr_opt[126][1] = 0 
 dr_opt[126][2] = 0 
 dr_opt[127][0] = 0 
 dr_opt[127][1] = 0 
 dr_opt[127][2] = 0 
 dr_opt[128][0] = 0 
 dr_opt[128][1] = 0 
 dr_opt[128][2] = 0 
 dr_opt[129][0] = 0 
 dr_opt[129][1] = 0 
 dr_opt[129][2] = 0 
 dr_opt[130][0] = 0 
 dr_opt[130][1] = 0 
 dr_opt[130][2] = 0 
 dr_opt[131][0] = 0 
 dr_opt[131][1] = 0 
 dr_opt[131][2] = 0 
 dr_opt[132][0] = 0 
 dr_opt[132][1] = 0 
 dr_opt[132][2] = 0 
 dr_opt[133][0] = 0 
 dr_opt[133][1] = 0 
 dr_opt[133][2] = 0 
 dr_opt[134][0] = 0 
 dr_opt[134][1] = 0 
 dr_opt[134][2] = 0 
 dr_opt[135][0] = 0 
 dr_opt[135][1] = 0 
 dr_opt[135][2] = 0 
 dr_opt[136][0] = 0 
 dr_opt[136][1] = 0 
 dr_opt[136][2] = 0 
 dr_opt[137][0] = 0 
 dr_opt[137][1] = 0 
 dr_opt[137][2] = 0 
 dr_opt[138][0] = 0 
 dr_opt[138][1] = 0 
 dr_opt[138][2] = 0 
 dr_opt[139][0] = 0 
 dr_opt[139][1] = 0 
 dr_opt[139][2] = 0 
 dr_opt[140][0] = 0.011277 
 dr_opt[140][1] = 0.0298427 
 dr_opt[140][2] = 0.0623517 
 dr_opt[141][0] = 0.0613674 
 dr_opt[141][1] = -0.0445612 
 dr_opt[141][2] = 0.0430633 
 dr_opt[142][0] = 0.161993 
 dr_opt[142][1] = -0.114826 
 dr_opt[142][2] = 0.0773029 
 dr_opt[143][0] = 0.212084 
 dr_opt[143][1] = -0.18923 
 dr_opt[143][2] = 0.0580145 
 dr_opt[144][0] = -0.20953 
 dr_opt[144][1] = -0.0163438 
 dr_opt[144][2] = -0.0369615 
 dr_opt[145][0] = -0.181926 
 dr_opt[145][1] = -0.00197506 
 dr_opt[145][2] = -0.0326381 
 dr_opt[146][0] = -0.068702 
 dr_opt[146][1] = 0.00250973 
 dr_opt[146][2] = -0.0415779 
 dr_opt[147][0] = -0.0410995 
 dr_opt[147][1] = 0.0168782 
 dr_opt[147][2] = -0.0372546 
 dr_opt[148][0] = 0 
 dr_opt[148][1] = 0 
 dr_opt[148][2] = 0 
 dr_opt[149][0] = 0 
 dr_opt[149][1] = 0 
 dr_opt[149][2] = 0 
 dr_opt[150][0] = 0 
 dr_opt[150][1] = 0 
 dr_opt[150][2] = 0 
 dr_opt[151][0] = 0 
 dr_opt[151][1] = 0 
 dr_opt[151][2] = 0 
 dr_opt[152][0] = 0 
 dr_opt[152][1] = 0 
 dr_opt[152][2] = 0 
 dr_opt[153][0] = 0 
 dr_opt[153][1] = 0 
 dr_opt[153][2] = 0 
 dr_opt[154][0] = 0 
 dr_opt[154][1] = 0 
 dr_opt[154][2] = 0 
 dr_opt[155][0] = 0 
 dr_opt[155][1] = 0 
 dr_opt[155][2] = 0 
 dr_opt[156][0] = -0.0186454 
 dr_opt[156][1] = -0.0454949 
 dr_opt[156][2] = 0.0590111 
 dr_opt[157][0] = 0.0138566 
 dr_opt[157][1] = -0.00310558 
 dr_opt[157][2] = 0.0726166 
 dr_opt[158][0] = 0.0749849 
 dr_opt[158][1] = 0.0359105 
 dr_opt[158][2] = 0.0613269 
 dr_opt[159][0] = 0.107487 
 dr_opt[159][1] = 0.0782999 
 dr_opt[159][2] = 0.0749324 
 n_atoms 160 dr2 0.00835441 opt_time 0.432368 opt_time_old 0.416752
   dr_max_old = 0.0805255, efficiency_old = 0.522049 / cpu s
   dr_max = 0.0885781, efficiency = 0.53499 / cpu s
   dr_max = 0.0974359
   du_max = 0.024359

Adjusting maximum size of molecule moves
 dr_opt[0][0] = 0 
 dr_opt[0][1] = 0 
 dr_opt[0][2] = 0 
 dr_opt[1][0] = 0 
 dr_opt[1][1] = 0 
 dr_opt[1][2] = 0 
 dr_opt[2][0] = 0 
 dr_opt[2][1] = 0 
 dr_opt[2][2] = 0 
 dr_opt[3][0] = 0 
 dr_opt[3][1] = 0 
 dr_opt[3][2] = 0 
 dr_opt[4][0] = -0.0708166 
 dr_opt[4][1] = 0.0323122 
 dr_opt[4][2] = -0.0522081 
 dr_opt[5][0] = -0.0181588 
 dr_opt[5][1] = -0.0502798 
 dr_opt[5][2] = -0.0760564 
 dr_opt[6][0] = -0.0312512 
 dr_opt[6][1] = -0.130087 
 dr_opt[6][2] = -0.0414724 
 dr_opt[7][0] = 0.0214066 
 dr_opt[7][1] = -0.212679 
 dr_opt[7][2] = -0.0653207 
 dr_opt[8][0] = 0 
 dr_opt[8][1] = 0 
 dr_opt[8][2] = 0 
 dr_opt[9][0] = 0 
 dr_opt[9][1] = 0 
 dr_opt[9][2] = 0 
 dr_opt[10][0] = 0 
 dr_opt[10][1] = 0 
 dr_opt[10][2] = 0 
 dr_opt[11][0] = 0 
 dr_opt[11][1] = 0 
 dr_opt[11][2] = 0 
 dr_opt[12][0] = 0 
 dr_opt[12][1] = 0 
 dr_opt[12][2] = 0 
 dr_opt[13][0] = 0 
 dr_opt[13][1] = 0 
 dr_opt[13][2] = 0 
 dr_opt[14][0] = 0 
 dr_opt[14][1] = 0 
 dr_opt[14][2] = 0 
 dr_opt[15][0] = 0 
 dr_opt[15][1] = 0 
 dr_opt[15][2] = 0 
 dr_opt[16][0] = 0 
 dr_opt[16][1] = 0 
 dr_opt[16][2] = 0 
 dr_opt[17][0] = 0 
 dr_opt[17][1] = 0 
 dr_opt[17][2] = 0 
 dr_opt[18][0] = 0 
 dr_opt[18][1] = 0 
 dr_opt[18][2] = 0 
 dr_opt[19][0] = 0 
 dr_opt[19][1] = 0 
 dr_opt[19][2] = 0 
 dr_opt[20][0] = 0 
 dr_opt[20][1] = 0 
 dr_opt[20][2] = 0 
 dr_opt[21][0] = 0 
 dr_opt[21][1] = 0 
 dr_opt[21][2] = 0 
 dr_opt[22][0] = 0 
 dr_opt[22][1] = 0 
 dr_opt[22][2] = 0 
 dr_opt[23][0] = 0 
 dr_opt[23][1] = 0 
 dr_opt[23][2] = 0 
 dr_opt[24][0] = 0.0314602 
 dr_opt[24][1] = 0.0402393 
 dr_opt[24][2] = 0.0817923 
 dr_opt[25][0] = 0.0172152 
 dr_opt[25][1] = -0.0144398 
 dr_opt[25][2] = 0.0583186 
 dr_opt[26][0] = 0.0242933 
 dr_opt[26][1] = -0.0700914 
 dr_opt[26][2] = 0.076448 
 dr_opt[27][0] = 0.0100485 
 dr_opt[27][1] = -0.12477 
 dr_opt[27][2] = 0.0529746 
 dr_opt[28][0] = 0 
 dr_opt[28][1] = 0 
 dr_opt[28][2] = 0 
 dr_opt[29][0] = 0 
 dr_opt[29][1] = 0 
 dr_opt[29][2] = 0 
 dr_opt[30][0] = 0 
 dr_opt[30][1] = 0 
 dr_opt[30][2] = 0 
 dr_opt[31][0] = 0 
 dr_opt[31][1] = 0 
 dr_opt[31][2] = 0 
 dr_opt[32][0] = 0 
 dr_opt[32][1] = 0 
 dr_opt[32][2] = 0 
 dr_opt[33][0] = 0 
 dr_opt[33][1] = 0 
 dr_opt[33][2] = 0 
 dr_opt[34][0] = 0 
 dr_opt[34][1] = 0 
 dr_opt[34][2] = 0 
 dr_opt[35][0] = 0 
 dr_opt[35][1] = 0 
 dr_opt[35][2] = 0 
 dr_opt[36][0] = 0 
 dr_opt[36][1] = 0 
 dr_opt[36][2] = 0 
 dr_opt[37][0] = 0 
 dr_opt[37][1] = 0 
 dr_opt[37][2] = 0 
 dr_opt[38][0] = 0 
 dr_opt[38][1] = 0 
 dr_opt[38][2] = 0 
 dr_opt[39][0] = 0 
 dr_opt[39][1] = 0 
 dr_opt[39][2] = 0 
 dr_opt[40][0] = -0.114437 
 dr_opt[40][1] = -0.0589 
 dr_opt[40][2] = -0.00814995 
 dr_opt[41][0] = -0.0501751 
 dr_opt[41][1] = -0.00107885 
 dr_opt[41][2] = 0.00840541 
 dr_opt[42][0] = -0.0448413 
 dr_opt[42][1] = 0.0507976 
 dr_opt[42][2] = -0.0131661 
 dr_opt[43][0] = 0.0194206 
 dr_opt[43][1] = 0.108619 
 dr_opt[43][2] = 0.00338901 
 dr_opt[44][0] = -0.250882 
 dr_opt[44][1] = 0.0720903 
 dr_opt[44][2] = 0.0768197 
 dr_opt[45][0] = -0.071591 
 dr_opt[45][1] = 0.137496 
 dr_opt[45][2] = 0.0803638 
 dr_opt[46][0] = 0.0255893 
 dr_opt[46][1] = 0.195248 
 dr_opt[46][2] = 0.0413824 
 dr_opt[47][0] = 0.20488 
 dr_opt[47][1] = 0.260654 
 dr_opt[47][2] = 0.0449265 
 dr_opt[48][0] = 0 
 dr_opt[48][1] = 0 
 dr_opt[48][2] = 0 
 dr_opt[49][0] = 0 
 dr_opt[49][1] = 0 
 dr_opt[49][2] = 0 
 dr_opt[50][0] = 0 
 dr_opt[50][1] = 0 
 dr_opt[50][2] = 0 
 dr_opt[51][0] = 0 
 dr_opt[51][1] = 0 
 dr_opt[51][2] = 0 
 dr_opt[52][0] = -0.00323312 
 dr_opt[52][1] = 0.0546333 
 dr_opt[52][2] = 0.0234672 
 dr_opt[53][0] = 0.0582611 
 dr_opt[53][1] = -0.0254833 
 dr_opt[53][2] = 0.000758851 
 dr_opt[54][0] = 0.103638 
 dr_opt[54][1] = -0.10303 
 dr_opt[54][2] = 0.0354647 
 dr_opt[55][0] = 0.165131 
 dr_opt[55][1] = -0.183145 
 dr_opt[55][2] = 0.0127564 
 dr_opt[56][0] = 0.00439584 
 dr_opt[56][1] = -0.101649 
 dr_opt[56][2] = -6.42537e-05 
 dr_opt[57][0] = -0.0136438 
 dr_opt[57][1] = -0.0935503 
 dr_opt[57][2] = 0.00322805 
 dr_opt[58][0] = -0.0781387 
 dr_opt[58][1] = -0.0838335 
 dr_opt[58][2] = 0.00261213 
 dr_opt[59][0] = -0.0961784 
 dr_opt[59][1] = -0.0757352 
 dr_opt[59][2] = 0.00590443 
 dr_opt[60][0] = 0 
 dr_opt[60][1] = 0 
 dr_opt[60][2] = 0 
 dr_opt[61][0] = 0 
 dr_opt[61][1] = 0 
 dr_opt[61][2] = 0 
 dr_opt[62][0] = 0 
 dr_opt[62][1] = 0 
 dr_opt[62][2] = 0 
 dr_opt[63][0] = 0 
 dr_opt[63][1] = 0 
 dr_opt[63][2] = 0 
 dr_opt[64][0] = 0.198607 
 dr_opt[64][1] = 0.0486433 
 dr_opt[64][2] = -0.000297202 
 dr_opt[65][0] = 0.105099 
 dr_opt[65][1] = 0.0280102 
 dr_opt[65][2] = -0.00931556 
 dr_opt[66][0] = 0.0713802 
 dr_opt[66][1] = 0.0101357 
 dr_opt[66][2] = -0.00238232 
 dr_opt[67][0] = -0.0221293 
 dr_opt[67][1] = -0.0104979 
 dr_opt[67][2] = -0.0114007 
 dr_opt[68][0] = 0 
 dr_opt[68][1] = 0 
 dr_opt[68][2] = 0 
 dr_opt[69][0] = 0 
 dr_opt[69][1] = 0 
 dr_opt[69][2] = 0 
 dr_opt[70][0] = 0 
 dr_opt[70][1] = 0 
 dr_opt[70][2] = 0 
 dr_opt[71][0] = 0 
 dr_opt[71][1] = 0 
 dr_opt[71][2] = 0 
 dr_opt[72][0] = 0 
 dr_opt[72][1] = 0 
 dr_opt[72][2] = 0 
 dr_opt[73][0] = 0 
 dr_opt[73][1] = 0 
 dr_opt[73][2] = 0 
 dr_opt[74][0] = 0 
 dr_opt[74][1] = 0 
 dr_opt[74][2] = 0 
 dr_opt[75][0] = 0 
 dr_opt[75][1] = 0 
 dr_opt[75][2] = 0 
 dr_opt[76][0] = 0.183751 
 dr_opt[76][1] = -0.139211 
 dr_opt[76][2] = -0.0665716 
 dr_opt[77][0] = 0.101995 
 dr_opt[77][1] = -0.0752729 
 dr_opt[77][2] = -0.060996 
 dr_opt[78][0] = 0.0581627 
 dr_opt[78][1] = -0.0153364 
 dr_opt[78][2] = -0.0999115 
 dr_opt[79][0] = -0.0235915 
 dr_opt[79][1] = 0.0486005 
 dr_opt[79][2] = -0.0943356 
 dr_opt[80][0] = 0 
 dr_opt[80][1] = 0 
 dr_opt[80][2] = 0 
 dr_opt[81][0] = 0 
 dr_opt[81][1] = 0 
 dr_opt[81][2] = 0 
 dr_opt[82][0] = 0 
 dr_opt[82][1] = 0 
 dr_opt[82][2] = 0 
 dr_opt[83][0] = 0 
 dr_opt[83][1] = 0 
 dr_opt[83][2] = 0 
 dr_opt[84][0] = 0.0071305 
 dr_opt[84][1] = 0.149288 
 dr_opt[84][2] = -0.0885736 
 dr_opt[85][0] = 0.0212658 
 dr_opt[85][1] = 0.113766 
 dr_opt[85][2] = -0.0965462 
 dr_opt[86][0] = 0.0226083 
 dr_opt[86][1] = 0.080158 
 dr_opt[86][2] = -0.07879 
 dr_opt[87][0] = 0.0367434 
 dr_opt[87][1] = 0.0446373 
 dr_opt[87][2] = -0.0867627 
 dr_opt[88][0] = 0.00184049 
 dr_opt[88][1] = 0.111062 
 dr_opt[88][2] = 0.0345987 
 dr_opt[89][0] = -0.00824578 
 dr_opt[89][1] = 0.0776301 
 dr_opt[89][2] = 0.0233049 
 dr_opt[90][0] = -0.062025 
 dr_opt[90][1] = 0.0461563 
 dr_opt[90][2] = 0.0368104 
 dr_opt[91][0] = -0.0721121 
 dr_opt[91][1] = 0.0127236 
 dr_opt[91][2] = 0.0255167 
 dr_opt[92][0] = 0 
 dr_opt[92][1] = 0 
 dr_opt[92][2] = 0 
 dr_opt[93][0] = 0 
 dr_opt[93][1] = 0 
 dr_opt[93][2] = 0 
 dr_opt[94][0] = 0 
 dr_opt[94][1] = 0 
 dr_opt[94][2] = 0 
 dr_opt[95][0] = 0 
 dr_opt[95][1] = 0 
 dr_opt[95][2] = 0 
 dr_opt[96][0] = 0 
 dr_opt[96][1] = 0 
 dr_opt[96][2] = 0 
 dr_opt[97][0] = 0 
 dr_opt[97][1] = 0 
 dr_opt[97][2] = 0 
 dr_opt[98][0] = 0 
 dr_opt[98][1] = 0 
 dr_opt[98][2] = 0 
 dr_opt[99][0] = 0 
 dr_opt[99][1] = 0 
 dr_opt[99][2] = 0 
 dr_opt[100][0] = -0.0494156 
 dr_opt[100][1] = -0.00107011 
 dr_opt[100][2] = 0.0374086 
 dr_opt[101][0] = -0.0452754 
 dr_opt[101][1] = -0.00614062 
 dr_opt[101][2] = 0.0365842 
 dr_opt[102][0] = -0.0887041 
 dr_opt[102][1] = -0.00919355 
 dr_opt[102][2] = 0.0347493 
 dr_opt[103][0] = -0.084564 
 dr_opt[103][1] = -0.0142641 
 dr_opt[103][2] = 0.0339249 
 dr_opt[104][0] = 0 
 dr_opt[104][1] = 0 
 dr_opt[104][2] = 0 
 dr_opt[105][0] = 0 
 dr_opt[105][1] = 0 
 dr_opt[105][2] = 0 
 dr_opt[106][0] = 0 
 dr_opt[106][1] = 0 
 dr_opt[106][2] = 0 
 dr_opt[107][0] = 0 
 dr_opt[107][1] = 0 
 dr_opt[107][2] = 0 
 dr_opt[108][0] = 0 
 dr_opt[108][1] = 0 
 dr_opt[108][2] = 0 
 dr_opt[109][0] = 0 
 dr_opt[109][1] = 0 
 dr_opt[109][2] = 0 
 dr_opt[110][0] = 0 
 dr_opt[110][1] = 0 
 dr_opt[110][2] = 0 
 dr_opt[111][0] = 0 
 dr_opt[111][1] = 0 
 dr_opt[111][2] = 0 
 dr_opt[112][0] = 0.174284 
 dr_opt[112][1] = -0.211117 
 dr_opt[112][2] = 0.00588077 
 dr_opt[113][0] = 0.0958909 
 dr_opt[113][1] = -0.132486 
 dr_opt[113][2] = 0.0326514 
 dr_opt[114][0] = -0.036626 
 dr_opt[114][1] = -0.0547849 
 dr_opt[114][2] = 0.00827908 
 dr_opt[115][0] = -0.11502 
 dr_opt[115][1] = 0.0238471 
 dr_opt[115][2] = 0.0350497 
 dr_opt[116][0] = -0.00238724 
 dr_opt[116][1] = 0.00920176 
 dr_opt[116][2] = -0.0233141 
 dr_opt[117][0] = -0.0249277 
 dr_opt[117][1] = 0.0676313 
 dr_opt[117][2] = -0.0139222 
 dr_opt[118][0] = -0.00393527 
 dr_opt[118][1] = 0.114163 
 dr_opt[118][2] = -0.0398709 
 dr_opt[119][0] = -0.0264757 
 dr_opt[119][1] = 0.172592 
 dr_opt[119][2] = -0.030479 
 dr_opt[120][0] = -0.0474373 
 dr_opt[120][1] = 0.0967225 
 dr_opt[120][2] = -0.0389763 
 dr_opt[121][0] = 0.00156386 
 dr_opt[121][1] = 0.0538528 
 dr_opt[121][2] = -0.0534101 
 dr_opt[122][0] = 0.0431051 
 dr_opt[122][1] = 0.0111511 
 dr_opt[122][2] = -0.0335796 
 dr_opt[123][0] = 0.0921072 
 dr_opt[123][1] = -0.0317195 
 dr_opt[123][2] = -0.0480134 
 dr_opt[124][0] = 0.0154661 
 dr_opt[124][1] = 0.0438306 
 dr_opt[124][2] = -0.0118116 
 dr_opt[125][0] = 0.0446668 
 dr_opt[125][1] = -0.0284521 
 dr_opt[125][2] = -0.0321815 
 dr_opt[126][0] = 0.0254721 
 dr_opt[126][1] = -0.098297 
 dr_opt[126][2] = -0.000267038 
 dr_opt[127][0] = 0.054673 
 dr_opt[127][1] = -0.17058 
 dr_opt[127][2] = -0.0206371 
 dr_opt[128][0] = 0 
 dr_opt[128][1] = 0 
 dr_opt[128][2] = 0 
 dr_opt[129][0] = 0 
 dr_opt[129][1] = 0 
 dr_opt[129][2] = 0 
 dr_opt[130][0] = 0 
 dr_opt[130][1] = 0 
 dr_opt[130][2] = 0 
 dr_opt[131][0] = 0 
 dr_opt[131][1] = 0 
 dr_opt[131][2] = 0 
 dr_opt[132][0] = -0.107049 
 dr_opt[132][1] = 0.00677208 
 dr_opt[132][2] = 0.0225878 
 dr_opt[133][0] = -0.0387181 
 dr_opt[133][1] = 0.0531922 
 dr_opt[133][2] = 0.032006 
 dr_opt[134][0] = 0.0321111 
 dr_opt[134][1] = 0.0980214 
 dr_opt[134][2] = 0.0102872 
 dr_opt[135][0] = 0.100443 
 dr_opt[135][1] = 0.144443 
 dr_opt[135][2] = 0.0197052 
 dr_opt[136][0] = 0.0496364 
 dr_opt[136][1] = -0.0797007 
 dr_opt[136][2] = 0.0210381 
 dr_opt[137][0] = -0.0131377 
 dr_opt[137][1] = -0.0904913 
 dr_opt[137][2] = 0.0147354 
 dr_opt[138][0] = -0.125997 
 dr_opt[138][1] = -0.101457 
 dr_opt[138][2] = 0.0124854 
 dr_opt[139][0] = -0.188771 
 dr_opt[139][1] = -0.112248 
 dr_opt[139][2] = 0.0061828 
 dr_opt[140][0] = 0 
 dr_opt[140][1] = 0 
 dr_opt[140][2] = 0 
 dr_opt[141][0] = 0 
 dr_opt[141][1] = 0 
 dr_opt[141][2] = 0 
 dr_opt[142][0] = 0 
 dr_opt[142][1] = 0 
 dr_opt[142][2] = 0 
 dr_opt[143][0] = 0 
 dr_opt[143][1] = 0 
 dr_opt[143][2] = 0 
 dr_opt[144][0] = 0 
 dr_opt[144][1] = 0 
 dr_opt[144][2] = 0 
 dr_opt[145][0] = 0 
 dr_opt[145][1] = 0 
 dr_opt[145][2] = 0 
 dr_opt[146][0] = 0 
 dr_opt[146][1] = 0 
 dr_opt[146][2] = 0 
 dr_opt[147][0] = 0 
 dr_opt[147][1] = 0 
 dr_opt[147][2] = 0 
 dr_opt[148][0] = -0.0137498 
 dr_opt[148][1] = -0.0629283 
 dr_opt[148][2] = -0.0887976 
 dr_opt[149][0] = 0.0385285 
 dr_opt[149][1] = -0.0744945 
 dr_opt[149][2] = -0.0941277 
 dr_opt[150][0] = 0.085657 
 dr_opt[150][1] = -0.0854655 
 dr_opt[150][2] = -0.0907526 
 dr_opt[151][0] = 0.137934 
 dr_opt[151][1] = -0.0970315 
 dr_opt[151][2] = -0.0960826 
 dr_opt[152][0] = 0.0622903 
 dr_opt[152][1] = 0.133257 
 dr_opt[152][2] = -0.0421371 
 dr_opt[153][0] = -0.049894 
 dr_opt[153][1] = 0.0770522 
 dr_opt[153][2] = -0.0722822 
 dr_opt[154][0] = -0.116577 
 dr_opt[154][1] = 0.0116729 
 dr_opt[154][2] = -0.0460696 
 dr_opt[155][0] = -0.22876 
 dr_opt[155][1] = -0.044531 
 dr_opt[155][2] = -0.0762146 
 dr_opt[156][0] = -0.0614463 
 dr_opt[156][1] = -0.080639 
 dr_opt[156][2] = 0.0417225 
 dr_opt[157][0] = -0.0720835 
 dr_opt[157][1] = 0.0246071 
 dr_opt[157][2] = 0.0587842 
 dr_opt[158][0] = -0.10552 
 dr_opt[158][1] = 0.116031 
 dr_opt[158][2] = -2.51251e-06 
 dr_opt[159][0] = -0.116157 
 dr_opt[159][1] = 0.221278 
 dr_opt[159][2] = 0.0170591 
 n_atoms 160 dr2 0.00986681 opt_time 0.447984 opt_time_old 0.432368
   dr_max_old = 0.0885781, efficiency_old = 0.53499 / cpu s
   dr_max = 0.0974359, efficiency = 0.63184 / cpu s
   dr_max = 0.107179
   du_max = 0.0267949

Adjusting maximum size of molecule moves
 dr_opt[0][0] = -0.0554662 
 dr_opt[0][1] = 0.490733 
 dr_opt[0][2] = 0.208804 
 dr_opt[1][0] = 0.0109442 
 dr_opt[1][1] = 0.307022 
 dr_opt[1][2] = 0.113674 
 dr_opt[2][0] = 0.085362 
 dr_opt[2][1] = 0.103086 
 dr_opt[2][2] = 0.157616 
 dr_opt[3][0] = 0.151774 
 dr_opt[3][1] = -0.0806298 
 dr_opt[3][2] = 0.0624843 
 dr_opt[4][0] = 0 
 dr_opt[4][1] = 0 
 dr_opt[4][2] = 0 
 dr_opt[5][0] = 0 
 dr_opt[5][1] = 0 
 dr_opt[5][2] = 0 
 dr_opt[6][0] = 0 
 dr_opt[6][1] = 0 
 dr_opt[6][2] = 0 
 dr_opt[7][0] = 0 
 dr_opt[7][1] = 0 
 dr_opt[7][2] = 0 
 dr_opt[8][0] = 0 
 dr_opt[8][1] = 0 
 dr_opt[8][2] = 0 
 dr_opt[9][0] = 0 
 dr_opt[9][1] = 0 
 dr_opt[9][2] = 0 
 dr_opt[10][0] = 0 
 dr_opt[10][1] = 0 
 dr_opt[10][2] = 0 
 dr_opt[11][0] = 0 
 dr_opt[11][1] = 0 
 dr_opt[11][2] = 0 
 dr_opt[12][0] = -0.141187 
 dr_opt[12][1] = 0.00862512 
 dr_opt[12][2] = 0.0292039 
 dr_opt[13][0] = -0.0593444 
 dr_opt[13][1] = -0.0499094 
 dr_opt[13][2] = 0.00244404 
 dr_opt[14][0] = 0.0451124 
 dr_opt[14][1] = -0.107804 
 dr_opt[14][2] = 0.0107535 
 dr_opt[15][0] = 0.126957 
 dr_opt[15][1] = -0.16634 
 dr_opt[15][2] = -0.0160067 
 dr_opt[16][0] = 0 
 dr_opt[16][1] = 0 
 dr_opt[16][2] = 0 
 dr_opt[17][0] = 0 
 dr_opt[17][1] = 0 
 dr_opt[17][2] = 0 
 dr_opt[18][0] = 0 
 dr_opt[18][1] = 0 
 dr_opt[18][2] = 0 
 dr_opt[19][0] = 0 
 dr_opt[19][1] = 0 
 dr_opt[19][2] = 0 
 dr_opt[20][0] = 0 
 dr_opt[20][1] = 0 
 dr_opt[20][2] = 0 
 dr_opt[21][0] = 0 
 dr_opt[21][1] = 0 
 dr_opt[21][2] = 0 
 dr_opt[22][0] = 0 
 dr_opt[22][1] = 0 
 dr_opt[22][2] = 0 
 dr_opt[23][0] = 0 
 dr_opt[23][1] = 0 
 dr_opt[23][2] = 0 
 dr_opt[24][0] = -0.135012 
 dr_opt[24][1] = -0.199811 
 dr_opt[24][2] = -0.00542576 
 dr_opt[25][0] = -0.100718 
 dr_opt[25][1] = -0.133099 
 dr_opt[25][2] = 0.0236956 
 dr_opt[26][0] = -0.0709313 
 dr_opt[26][1] = -0.0646124 
 dr_opt[26][2] = 0.00389927 
 dr_opt[27][0] = -0.036637 
 dr_opt[27][1] = 0.00209932 
 dr_opt[27][2] = 0.0330203 
 dr_opt[28][0] = 0 
 dr_opt[28][1] = 0 
 dr_opt[28][2] = 0 
 dr_opt[29][0] = 0 
 dr_opt[29][1] = 0 
 dr_opt[29][2] = 0 
 dr_opt[30][0] = 0 
 dr_opt[30][1] = 0 
 dr_opt[30][2] = 0 
 dr_opt[31][0] = 0 
 dr_opt[31][1] = 0 
 dr_opt[31][2] = 0 
 dr_opt[32][0] = -0.125817 
 dr_opt[32][1] = 0.0712601 
 dr_opt[32][2] = 0.0437419 
 dr_opt[33][0] = -0.103427 
 dr_opt[33][1] = 0.0943906 
 dr_opt[33][2] = 0.0529879 
 dr_opt[34][0] = -0.0682749 
 dr_opt[34][1] = 0.116938 
 dr_opt[34][2] = 0.0468352 
 dr_opt[35][0] = -0.0458834 
 dr_opt[35][1] = 0.140069 
 dr_opt[35][2] = 0.0560813 
 dr_opt[36][0] = 0.0623266 
 dr_opt[36][1] = -0.0590252 
 dr_opt[36][2] = -0.0240108 
 dr_opt[37][0] = 0.0660984 
 dr_opt[37][1] = -0.0887083 
 dr_opt[37][2] = -0.0356606 
 dr_opt[38][0] = 0.0101752 
 dr_opt[38][1] = -0.117909 
 dr_opt[38][2] = -0.0280193 
 dr_opt[39][0] = 0.0139471 
 dr_opt[39][1] = -0.147593 
 dr_opt[39][2] = -0.0396693 
 dr_opt[40][0] = 0.182835 
 dr_opt[40][1] = 0.0290272 
 dr_opt[40][2] = 0.0972598 
 dr_opt[41][0] = 0.137308 
 dr_opt[41][1] = -0.0380767 
 dr_opt[41][2] = 0.077495 
 dr_opt[42][0] = 0.0613641 
 dr_opt[42][1] = -0.106243 
 dr_opt[42][2] = 0.10199 
 dr_opt[43][0] = 0.0158361 
 dr_opt[43][1] = -0.173347 
 dr_opt[43][2] = 0.0822252 
 dr_opt[44][0] = -0.0340925 
 dr_opt[44][1] = 0.338345 
 dr_opt[44][2] = 0.10065 
 dr_opt[45][0] = -0.019488 
 dr_opt[45][1] = 0.16923 
 dr_opt[45][2] = 0.0665725 
 dr_opt[46][0] = -0.0346088 
 dr_opt[46][1] = 0.0177719 
 dr_opt[46][2] = 0.152067 
 dr_opt[47][0] = -0.0200043 
 dr_opt[47][1] = -0.151343 
 dr_opt[47][2] = 0.11799 
 dr_opt[48][0] = 0 
 dr_opt[48][1] = 0 
 dr_opt[48][2] = 0 
 dr_opt[49][0] = 0 
 dr_opt[49][1] = 0 
 dr_opt[49][2] = 0 
 dr_opt[50][0] = 0 
 dr_opt[50][1] = 0 
 dr_opt[50][2] = 0 
 dr_opt[51][0] = 0 
 dr_opt[51][1] = 0 
 dr_opt[51][2] = 0 
 dr_opt[52][0] = -0.146272 
 dr_opt[52][1] = -0.1175 
 dr_opt[52][2] = -0.0973205 
 dr_opt[53][0] = -0.0396935 
 dr_opt[53][1] = -0.067722 
 dr_opt[53][2] = -0.0823855 
 dr_opt[54][0] = -0.00246894 
 dr_opt[54][1] = -0.0223995 
 dr_opt[54][2] = -0.100028 
 dr_opt[55][0] = 0.104108 
 dr_opt[55][1] = 0.027378 
 dr_opt[55][2] = -0.0850926 
 dr_opt[56][0] = -0.0465631 
 dr_opt[56][1] = -0.159697 
 dr_opt[56][2] = 0.0371589 
 dr_opt[57][0] = -0.053572 
 dr_opt[57][1] = -0.0950198 
 dr_opt[57][2] = 0.0592692 
 dr_opt[58][0] = -0.0916992 
 dr_opt[58][1] = -0.0311098 
 dr_opt[58][2] = 0.0351754 
 dr_opt[59][0] = -0.0987081 
 dr_opt[59][1] = 0.0335673 
 dr_opt[59][2] = 0.0572858 
 dr_opt[60][0] = -0.0491641 
 dr_opt[60][1] = 0.0992829 
 dr_opt[60][2] = 0.0864827 
 dr_opt[61][0] = 0.0253236 
 dr_opt[61][1] = 0.107196 
 dr_opt[61][2] = 0.0894252 
 dr_opt[62][0] = 0.0174213 
 dr_opt[62][1] = 0.115355 
 dr_opt[62][2] = 0.0848335 
 dr_opt[63][0] = 0.0919075 
 dr_opt[63][1] = 0.123269 
 dr_opt[63][2] = 0.0877759 
 dr_opt[64][0] = 0.0695567 
 dr_opt[64][1] = 0.226658 
 dr_opt[64][2] = 0.142581 
 dr_opt[65][0] = 0.0776253 
 dr_opt[65][1] = 0.109448 
 dr_opt[65][2] = 0.110462 
 dr_opt[66][0] = 0.0318195 
 dr_opt[66][1] = -0.00219623 
 dr_opt[66][2] = 0.157723 
 dr_opt[67][0] = 0.0398879 
 dr_opt[67][1] = -0.119408 
 dr_opt[67][2] = 0.125604 
 dr_opt[68][0] = 0 
 dr_opt[68][1] = 0 
 dr_opt[68][2] = 0 
 dr_opt[69][0] = 0 
 dr_opt[69][1] = 0 
 dr_opt[69][2] = 0 
 dr_opt[70][0] = 0 
 dr_opt[70][1] = 0 
 dr_opt[70][2] = 0 
 dr_opt[71][0] = 0 
 dr_opt[71][1] = 0 
 dr_opt[71][2] = 0 
 dr_opt[72][0] = 0 
 dr_opt[72][1] = 0 
 dr_opt[72][2] = 0 
 dr_opt[73][0] = 0 
 dr_opt[73][1] = 0 
 dr_opt[73][2] = 0 
 dr_opt[74][0] = 0 
 dr_opt[74][1] = 0 
 dr_opt[74][2] = 0 
 dr_opt[75][0] = 0 
 dr_opt[75][1] = 0 
 dr_opt[75][2] = 0 
 dr_opt[76][0] = 0 
 dr_opt[76][1] = 0 
 dr_opt[76][2] = 0 
 dr_opt[77][0] = 0 
 dr_opt[77][1] = 0 
 dr_opt[77][2] = 0 
 dr_opt[78][0] = 0 
 dr_opt[78][1] = 0 
 dr_opt[78][2] = 0 
 dr_opt[79][0] = 0 
 dr_opt[79][1] = 0 
 dr_opt[79][2] = 0 
 dr_opt[80][0] = 0.388737 
 dr_opt[80][1] = 0.0480382 
 dr_opt[80][2] = 0.131044 
 dr_opt[81][0] = 0.204418 
 dr_opt[81][1] = -0.0250491 
 dr_opt[81][2] = 0.0806389 
 dr_opt[82][0] = -0.195968 
 dr_opt[82][1] = -0.128033 
 dr_opt[82][2] = 0.0328113 
 dr_opt[83][0] = -0.380288 
 dr_opt[83][1] = -0.20112 
 dr_opt[83][2] = -0.0175939 
 dr_opt[84][0] = 0 
 dr_opt[84][1] = 0 
 dr_opt[84][2] = 0 
 dr_opt[85][0] = 0 
 dr_opt[85][1] = 0 
 dr_opt[85][2] = 0 
 dr_opt[86][0] = 0 
 dr_opt[86][1] = 0 
 dr_opt[86][2] = 0 
 dr_opt[87][0] = 0 
 dr_opt[87][1] = 0 
 dr_opt[87][2] = 0 
 dr_opt[88][0] = 0.0760001 
 dr_opt[88][1] = 0.082492 
 dr_opt[88][2] = -0.0953694 
 dr_opt[89][0] = 0.0356256 
 dr_opt[89][1] = 0.0686417 
 dr_opt[89][2] = -0.100795 
 dr_opt[90][0] = -0.00705638 
 dr_opt[90][1] = 0.0549365 
 dr_opt[90][2] = -0.0957734 
 dr_opt[91][0] = -0.0474317 
 dr_opt[91][1] = 0.0410859 
 dr_opt[91][2] = -0.101199 
 dr_opt[92][0] = 0 
 dr_opt[92][1] = 0 
 dr_opt[92][2] = 0 
 dr_opt[93][0] = 0 
 dr_opt[93][1] = 0 
 dr_opt[93][2] = 0 
 dr_opt[94][0] = 0 
 dr_opt[94][1] = 0 
 dr_opt[94][2] = 0 
 dr_opt[95][0] = 0 
 dr_opt[95][1] = 0 
 dr_opt[95][2] = 0 
 dr_opt[96][0] = -0.157454 
 dr_opt[96][1] = -0.0984408 
 dr_opt[96][2] = 0.0647493 
 dr_opt[97][0] = -0.117668 
 dr_opt[97][1] = -0.0530751 
 dr_opt[97][2] = 0.0778746 
 dr_opt[98][0] = -0.0362681 
 dr_opt[98][1] = -0.0106836 
 dr_opt[98][2] = 0.0541232 
 dr_opt[99][0] = 0.00351652 
 dr_opt[99][1] = 0.0346813 
 dr_opt[99][2] = 0.0672482 
 dr_opt[100][0] = 0 
 dr_opt[100][1] = 0 
 dr_opt[100][2] = 0 
 dr_opt[101][0] = 0 
 dr_opt[101][1] = 0 
 dr_opt[101][2] = 0 
 dr_opt[102][0] = 0 
 dr_opt[102][1] = 0 
 dr_opt[102][2] = 0 
 dr_opt[103][0] = 0 
 dr_opt[103][1] = 0 
 dr_opt[103][2] = 0 
 dr_opt[104][0] = -0.0864439 
 dr_opt[104][1] = -0.0520865 
 dr_opt[104][2] = -0.05295 
 dr_opt[105][0] = -0.0568435 
 dr_opt[105][1] = -0.0341603 
 dr_opt[105][2] = -0.0482215 
 dr_opt[106][0] = 0.00340672 
 dr_opt[106][1] = -0.0152514 
 dr_opt[106][2] = -0.0575771 
 dr_opt[107][0] = 0.0330072 
 dr_opt[107][1] = 0.0026748 
 dr_opt[107][2] = -0.0528486 
 dr_opt[108][0] = 0.103562 
 dr_opt[108][1] = 0.0109244 
 dr_opt[108][2] = 0.000140056 
 dr_opt[109][0] = 0.0575251 
 dr_opt[109][1] = 0.0244712 
 dr_opt[109][2] = 0.00222007 
 dr_opt[110][0] = 0.0226091 
 dr_opt[110][1] = 0.0388341 
 dr_opt[110][2] = -0.00588811 
 dr_opt[111][0] = -0.0234272 
 dr_opt[111][1] = 0.0523806 
 dr_opt[111][2] = -0.00380807 
 dr_opt[112][0] = 0 
 dr_opt[112][1] = 0 
 dr_opt[112][2] = 0 
 dr_opt[113][0] = 0 
 dr_opt[113][1] = 0 
 dr_opt[113][2] = 0 
 dr_opt[114][0] = 0 
 dr_opt[114][1] = 0 
 dr_opt[114][2] = 0 
 dr_opt[115][0] = 0 
 dr_opt[115][1] = 0 
 dr_opt[115][2] = 0 
 dr_opt[116][0] = 0.187226 
 dr_opt[116][1] = 0.0571002 
 dr_opt[116][2] = 0.168078 
 dr_opt[117][0] = 0.057105 
 dr_opt[117][1] = 0.0553397 
 dr_opt[117][2] = 0.151897 
 dr_opt[118][0] = -0.0742359 
 dr_opt[118][1] = 0.0561069 
 dr_opt[118][2] = 0.150196 
 dr_opt[119][0] = -0.204358 
 dr_opt[119][1] = 0.0543463 
 dr_opt[119][2] = 0.134014 
 dr_opt[120][0] = 0 
 dr_opt[120][1] = 0 
 dr_opt[120][2] = 0 
 dr_opt[121][0] = 0 
 dr_opt[121][1] = 0 
 dr_opt[121][2] = 0 
 dr_opt[122][0] = 0 
 dr_opt[122][1] = 0 
 dr_opt[122][2] = 0 
 dr_opt[123][0] = 0 
 dr_opt[123][1] = 0 
 dr_opt[123][2] = 0 
 dr_opt[124][0] = 0 
 dr_opt[124][1] = 0 
 dr_opt[124][2] = 0 
 dr_opt[125][0] = 0 
 dr_opt[125][1] = 0 
 dr_opt[125][2] = 0 
 dr_opt[126][0] = 0 
 dr_opt[126][1] = 0 
 dr_opt[126][2] = 0 
 dr_opt[127][0] = 0 
 dr_opt[127][1] = 0 
 dr_opt[127][2] = 0 
 dr_opt[128][0] = 0 
 dr_opt[128][1] = 0 
 dr_opt[128][2] = 0 
 dr_opt[129][0] = 0 
 dr_opt[129][1] = 0 
 dr_opt[129][2] = 0 
 dr_opt[130][0] = 0 
 dr_opt[130][1] = 0 
 dr_opt[130][2] = 0 
 dr_opt[131][0] = 0 
 dr_opt[131][1] = 0 
 dr_opt[131][2] = 0 
 dr_opt[132][0] = 0 
 dr_opt[132][1] = 0 
 dr_opt[132][2] = 0 
 dr_opt[133][0] = 0 
 dr_opt[133][1] = 0 
 dr_opt[133][2] = 0 
 dr_opt[134][0] = 0 
 dr_opt[134][1] = 0 
 dr_opt[134][2] = 0 
 dr_opt[135][0] = 0 
 dr_opt[135][1] = 0 
 dr_opt[135][2] = 0 
 dr_opt[136][0] = -0.041065 
 dr_opt[136][1] = -0.0326217 
 dr_opt[136][2] = -0.113485 
 dr_opt[137][0] = 0.0395596 
 dr_opt[137][1] = -0.0131761 
 dr_opt[137][2] = -0.104295 
 dr_opt[138][0] = 0.0695751 
 dr_opt[138][1] = 0.00263108 
 dr_opt[138][2] = -0.109013 
 dr_opt[139][0] = 0.1502 
 dr_opt[139][1] = 0.0220766 
 dr_opt[139][2] = -0.0998232 
 dr_opt[140][0] = 0 
 dr_opt[140][1] = 0 
 dr_opt[140][2] = 0 
 dr_opt[141][0] = 0 
 dr_opt[141][1] = 0 
 dr_opt[141][2] = 0 
 dr_opt[142][0] = 0 
 dr_opt[142][1] = 0 
 dr_opt[142][2] = 0 
 dr_opt[143][0] = 0 
 dr_opt[143][1] = 0 
 dr_opt[143][2] = 0 
 dr_opt[144][0] = 0 
 dr_opt[144][1] = 0 
 dr_opt[144][2] = 0 
 dr_opt[145][0] = 0 
 dr_opt[145][1] = 0 
 dr_opt[145][2] = 0 
 dr_opt[146][0] = 0 
 dr_opt[146][1] = 0 
 dr_opt[146][2] = 0 
 dr_opt[147][0] = 0 
 dr_opt[147][1] = 0 
 dr_opt[147][2] = 0 
 dr_opt[148][0] = -0.0805389 
 dr_opt[148][1] = -0.0747912 
 dr_opt[148][2] = -0.0956796 
 dr_opt[149][0] = 0.0278035 
 dr_opt[149][1] = -0.00102963 
 dr_opt[149][2] = -0.0849858 
 dr_opt[150][0] = 0.0772204 
 dr_opt[150][1] = 0.0666386 
 dr_opt[150][2] = -0.119902 
 dr_opt[151][0] = 0.185561 
 dr_opt[151][1] = 0.140399 
 dr_opt[151][2] = -0.109208 
 dr_opt[152][0] = 0 
 dr_opt[152][1] = 0 
 dr_opt[152][2] = 0 
 dr_opt[153][0] = 0 
 dr_opt[153][1] = 0 
 dr_opt[153][2] = 0 
 dr_opt[154][0] = 0 
 dr_opt[154][1] = 0 
 dr_opt[154][2] = 0 
 dr_opt[155][0] = 0 
 dr_opt[155][1] = 0 
 dr_opt[155][2] = 0 
 dr_opt[156][0] = -0.221026 
 dr_opt[156][1] = -0.0779301 
 dr_opt[156][2] = 0.0257172 
 dr_opt[157][0] = -0.111918 
 dr_opt[157][1] = -0.0751201 
 dr_opt[157][2] = 0.037656 
 dr_opt[158][0] = -0.083992 
 dr_opt[158][1] = -0.0771404 
 dr_opt[158][2] = 0.0433175 
 dr_opt[159][0] = 0.0251156 
 dr_opt[159][1] = -0.0743304 
 dr_opt[159][2] = 0.0552563 
 n_atoms 160 dr2 0.0168843 opt_time 0.462624 opt_time_old 0.447984
   dr_max_old = 0.0974359, efficiency_old = 0.63184 / cpu s
   dr_max = 0.107179, efficiency = 1.1533 / cpu s
   dr_max = 0.117897
   du_max = 0.0294743

Adjusting maximum size of molecule moves
 dr_opt[0][0] = 0 
 dr_opt[0][1] = 0 
 dr_opt[0][2] = 0 
 dr_opt[1][0] = 0 
 dr_opt[1][1] = 0 
 dr_opt[1][2] = 0 
 dr_opt[2][0] = 0 
 dr_opt[2][1] = 0 
 dr_opt[2][2] = 0 
 dr_opt[3][0] = 0 
 dr_opt[3][1] = 0 
 dr_opt[3][2] = 0 
 dr_opt[4][0] = 0 
 dr_opt[4][1] = 0 
 dr_opt[4][2] = 0 
 dr_opt[5][0] = 0 
 dr_opt[5][1] = 0 
 dr_opt[5][2] = 0 
 dr_opt[6][0] = 0 
 dr_opt[6][1] = 0 
 dr_opt[6][2] = 0 
 dr_opt[7][0] = 0 
 dr_opt[7][1] = 0 
 dr_opt[7][2] = 0 
 dr_opt[8][0] = 0 
 dr_opt[8][1] = 0 
 dr_opt[8][2] = 0 
 dr_opt[9][0] = 0 
 dr_opt[9][1] = 0 
 dr_opt[9][2] = 0 
 dr_opt[10][0] = 0 
 dr_opt[10][1] = 0 
 dr_opt[10][2] = 0 
 dr_opt[11][0] = 0 
 dr_opt[11][1] = 0 
 dr_opt[11][2] = 0 
 dr_opt[12][0] = 0.141624 
 dr_opt[12][1] = 0.122405 
 dr_opt[12][2] = -0.115243 
 dr_opt[13][0] = 0.107749 
 dr_opt[13][1] = 0.0909623 
 dr_opt[13][2] = -0.121789 
 dr_opt[14][0] = 0.066306 
 dr_opt[14][1] = 0.0609434 
 dr_opt[14][2] = -0.102705 
 dr_opt[15][0] = 0.0324299 
 dr_opt[15][1] = 0.0295001 
 dr_opt[15][2] = -0.109251 
 dr_opt[16][0] = 0 
 dr_opt[16][1] = 0 
 dr_opt[16][2] = 0 
 dr_opt[17][0] = 0 
 dr_opt[17][1] = 0 
 dr_opt[17][2] = 0 
 dr_opt[18][0] = 0 
 dr_opt[18][1] = 0 
 dr_opt[18][2] = 0 
 dr_opt[19][0] = 0 
 dr_opt[19][1] = 0 
 dr_opt[19][2] = 0 
 dr_opt[20][0] = 0 
 dr_opt[20][1] = 0 
 dr_opt[20][2] = 0 
 dr_opt[21][0] = 0 
 dr_opt[21][1] = 0 
 dr_opt[21][2] = 0 
 dr_opt[22][0] = 0 
 dr_opt[22][1] = 0 
 dr_opt[22][2] = 0 
 dr_opt[23][0] = 0 
 dr_opt[23][1] = 0 
 dr_opt[23][2] = 0 
 dr_opt[24][0] = -0.186087 
 dr_opt[24][1] = -0.000277879 
 dr_opt[24][2] = 0.0758417 
 dr_opt[25][0] = -0.0689356 
 dr_opt[25][1] = -0.0549459 
 dr_opt[25][2] = 0.0545904 
 dr_opt[26][0] = -0.0282576 
 dr_opt[26][1] = -0.115727 
 dr_opt[26][2] = 0.0761747 
 dr_opt[27][0] = 0.0888933 
 dr_opt[27][1] = -0.170395 
 dr_opt[27][2] = 0.0549236 
 dr_opt[28][0] = 0 
 dr_opt[28][1] = 0 
 dr_opt[28][2] = 0 
 dr_opt[29][0] = 0 
 dr_opt[29][1] = 0 
 dr_opt[29][2] = 0 
 dr_opt[30][0] = 0 
 dr_opt[30][1] = 0 
 dr_opt[30][2] = 0 
 dr_opt[31][0] = 0 
 dr_opt[31][1] = 0 
 dr_opt[31][2] = 0 
 dr_opt[32][0] = -0.0102589 
 dr_opt[32][1] = 0.205938 
 dr_opt[32][2] = 0.00129888 
 dr_opt[33][0] = -0.0224769 
 dr_opt[33][1] = 0.122832 
 dr_opt[33][2] = -0.0276391 
 dr_opt[34][0] = 0.00543018 
 dr_opt[34][1] = 0.0407148 
 dr_opt[34][2] = 0.0067573 
 dr_opt[35][0] = -0.00678778 
 dr_opt[35][1] = -0.0423927 
 dr_opt[35][2] = -0.0221808 
 dr_opt[36][0] = 0 
 dr_opt[36][1] = 0 
 dr_opt[36][2] = 0 
 dr_opt[37][0] = 0 
 dr_opt[37][1] = 0 
 dr_opt[37][2] = 0 
 dr_opt[38][0] = 0 
 dr_opt[38][1] = 0 
 dr_opt[38][2] = 0 
 dr_opt[39][0] = 0 
 dr_opt[39][1] = 0 
 dr_opt[39][2] = 0 
 dr_opt[40][0] = 0 
 dr_opt[40][1] = 0 
 dr_opt[40][2] = 0 
 dr_opt[41][0] = 0 
 dr_opt[41][1] = 0 
 dr_opt[41][2] = 0 
 dr_opt[42][0] = 0 
 dr_opt[42][1] = 0 
 dr_opt[42][2] = 0 
 dr_opt[43][0] = 0 
 dr_opt[43][1] = 0 
 dr_opt[43][2] = 0 
 dr_opt[44][0] = 0.0174364 
 dr_opt[44][1] = -0.335872 
 dr_opt[44][2] = 0.10708 
 dr_opt[45][0] = 0.0619213 
 dr_opt[45][1] = -0.167901 
 dr_opt[45][2] = 0.134999 
 dr_opt[46][0] = 0.0144226 
 dr_opt[46][1] = -0.0236258 
 dr_opt[46][2] = 0.05765 
 dr_opt[47][0] = 0.0589074 
 dr_opt[47][1] = 0.144344 
 dr_opt[47][2] = 0.0855686 
 dr_opt[48][0] = 0.199036 
 dr_opt[48][1] = -0.110054 
 dr_opt[48][2] = -0.00550902 
 dr_opt[49][0] = 0.15438 
 dr_opt[49][1] = -0.0855457 
 dr_opt[49][2] = -0.0021808 
 dr_opt[50][0] = 0.0431084 
 dr_opt[50][1] = -0.0634185 
 dr_opt[50][2] = -0.019272 
 dr_opt[51][0] = -0.001548 
 dr_opt[51][1] = -0.0389098 
 dr_opt[51][2] = -0.0159438 
 dr_opt[52][0] = 0.0101195 
 dr_opt[52][1] = 0.0628613 
 dr_opt[52][2] = 0.107946 
 dr_opt[53][0] = -0.0249904 
 dr_opt[53][1] = -0.0107845 
 dr_opt[53][2] = 0.08491 
 dr_opt[54][0] = -0.00904172 
 dr_opt[54][1] = -0.0800783 
 dr_opt[54][2] = 0.112912 
 dr_opt[55][0] = -0.0441512 
 dr_opt[55][1] = -0.153723 
 dr_opt[55][2] = 0.089876 
 dr_opt[56][0] = 0.0695444 
 dr_opt[56][1] = -0.20853 
 dr_opt[56][2] = 0.0227771 
 dr_opt[57][0] = -0.0342132 
 dr_opt[57][1] = -0.100515 
 dr_opt[57][2] = 0.0525476 
 dr_opt[58][0] = -0.0922158 
 dr_opt[58][1] = 0.00199071 
 dr_opt[58][2] = 0.00692075 
 dr_opt[59][0] = -0.195974 
 dr_opt[59][1] = 0.110005 
 dr_opt[59][2] = 0.0366913 
 dr_opt[60][0] = 0.0660684 
 dr_opt[60][1] = 0.160449 
 dr_opt[60][2] = -0.0574542 
 dr_opt[61][0] = 0.00405472 
 dr_opt[61][1] = 0.0723113 
 dr_opt[61][2] = -0.0773582 
 dr_opt[62][0] = -0.0998875 
 dr_opt[62][1] = -0.00882667 
 dr_opt[62][2] = -0.0385123 
 dr_opt[63][0] = -0.1619 
 dr_opt[63][1] = -0.0969624 
 dr_opt[63][2] = -0.0584159 
 dr_opt[64][0] = 0.0647916 
 dr_opt[64][1] = -0.0835158 
 dr_opt[64][2] = 0.0647062 
 dr_opt[65][0] = -0.0200005 
 dr_opt[65][1] = -0.0794489 
 dr_opt[65][2] = 0.0585967 
 dr_opt[66][0] = 0.00778825 
 dr_opt[66][1] = -0.0759689 
 dr_opt[66][2] = 0.0594661 
 dr_opt[67][0] = -0.0770047 
 dr_opt[67][1] = -0.071902 
 dr_opt[67][2] = 0.0533565 
 dr_opt[68][0] = 0 
 dr_opt[68][1] = 0 
 dr_opt[68][2] = 0 
 dr_opt[69][0] = 0 
 dr_opt[69][1] = 0 
 dr_opt[69][2] = 0 
 dr_opt[70][0] = 0 
 dr_opt[70][1] = 0 
 dr_opt[70][2] = 0 
 dr_opt[71][0] = 0 
 dr_opt[71][1] = 0 
 dr_opt[71][2] = 0 
 dr_opt[72][0] = 0 
 dr_opt[72][1] = 0 
 dr_opt[72][2] = 0 
 dr_opt[73][0] = 0 
 dr_opt[73][1] = 0 
 dr_opt[73][2] = 0 
 dr_opt[74][0] = 0 
 dr_opt[74][1] = 0 
 dr_opt[74][2] = 0 
 dr_opt[75][0] = 0 
 dr_opt[75][1] = 0 
 dr_opt[75][2] = 0 
 dr_opt[76][0] = 0.187815 
 dr_opt[76][1] = 0.184857 
 dr_opt[76][2] = 0.0731375 
 dr_opt[77][0] = 0.0447238 
 dr_opt[77][1] = 0.177509 
 dr_opt[77][2] = 0.0485711 
 dr_opt[78][0] = -0.0196416 
 dr_opt[78][1] = 0.173933 
 dr_opt[78][2] = 0.0378805 
 dr_opt[79][0] = -0.16273 
 dr_opt[79][1] = 0.166585 
 dr_opt[79][2] = 0.0133145 
 dr_opt[80][0] = 0.031859 
 dr_opt[80][1] = 0.185828 
 dr_opt[80][2] = 0.0260523 
 dr_opt[81][0] = 0.101246 
 dr_opt[81][1] = 0.172415 
 dr_opt[81][2] = 0.0288353 
 dr_opt[82][0] = 0.0669385 
 dr_opt[82][1] = 0.131995 
 dr_opt[82][2] = 0.0283876 
 dr_opt[83][0] = 0.136325 
 dr_opt[83][1] = 0.118582 
 dr_opt[83][2] = 0.0311707 
 dr_opt[84][0] = -0.0113784 
 dr_opt[84][1] = 0.0631045 
 dr_opt[84][2] = 0.0926223 
 dr_opt[85][0] = -0.0204799 
 dr_opt[85][1] = 0.0258456 
 dr_opt[85][2] = 0.084303 
 dr_opt[86][0] = -0.0873634 
 dr_opt[86][1] = -0.0176185 
 dr_opt[86][2] = 0.100431 
 dr_opt[87][0] = -0.0964643 
 dr_opt[87][1] = -0.0548765 
 dr_opt[87][2] = 0.092112 
 dr_opt[88][0] = 0 
 dr_opt[88][1] = 0 
 dr_opt[88][2] = 0 
 dr_opt[89][0] = 0 
 dr_opt[89][1] = 0 
 dr_opt[89][2] = 0 
 dr_opt[90][0] = 0 
 dr_opt[90][1] = 0 
 dr_opt[90][2] = 0 
 dr_opt[91][0] = 0 
 dr_opt[91][1] = 0 
 dr_opt[91][2] = 0 
 dr_opt[92][0] = 0.190989 
 dr_opt[92][1] = 0.145223 
 dr_opt[92][2] = -0.00109642 
 dr_opt[93][0] = 0.0946423 
 dr_opt[93][1] = 0.096726 
 dr_opt[93][2] = -0.0352793 
 dr_opt[94][0] = 0.0644351 
 dr_opt[94][1] = 0.0384676 
 dr_opt[94][2] = -0.0209636 
 dr_opt[95][0] = -0.0319108 
 dr_opt[95][1] = -0.0100293 
 dr_opt[95][2] = -0.0551461 
 dr_opt[96][0] = 0 
 dr_opt[96][1] = 0 
 dr_opt[96][2] = 0 
 dr_opt[97][0] = 0 
 dr_opt[97][1] = 0 
 dr_opt[97][2] = 0 
 dr_opt[98][0] = 0 
 dr_opt[98][1] = 0 
 dr_opt[98][2] = 0 
 dr_opt[99][0] = 0 
 dr_opt[99][1] = 0 
 dr_opt[99][2] = 0 
 dr_opt[100][0] = -0.151648 
 dr_opt[100][1] = -0.145348 
 dr_opt[100][2] = 0.0445096 
 dr_opt[101][0] = -0.0746018 
 dr_opt[101][1] = -0.0572869 
 dr_opt[101][2] = 0.0704378 
 dr_opt[102][0] = -0.0115388 
 dr_opt[102][1] = 0.0229227 
 dr_opt[102][2] = 0.0332273 
 dr_opt[103][0] = 0.0655069 
 dr_opt[103][1] = 0.110983 
 dr_opt[103][2] = 0.0591556 
 dr_opt[104][0] = 0 
 dr_opt[104][1] = 0 
 dr_opt[104][2] = 0 
 dr_opt[105][0] = 0 
 dr_opt[105][1] = 0 
 dr_opt[105][2] = 0 
 dr_opt[106][0] = 0 
 dr_opt[106][1] = 0 
 dr_opt[106][2] = 0 
 dr_opt[107][0] = 0 
 dr_opt[107][1] = 0 
 dr_opt[107][2] = 0 
 dr_opt[108][0] = 0 
 dr_opt[108][1] = 0 
 dr_opt[108][2] = 0 
 dr_opt[109][0] = 0 
 dr_opt[109][1] = 0 
 dr_opt[109][2] = 0 
 dr_opt[110][0] = 0 
 dr_opt[110][1] = 0 
 dr_opt[110][2] = 0 
 dr_opt[111][0] = 0 
 dr_opt[111][1] = 0 
 dr_opt[111][2] = 0 
 dr_opt[112][0] = 0 
 dr_opt[112][1] = 0 
 dr_opt[112][2] = 0 
 dr_opt[113][0] = 0 
 dr_opt[113][1] = 0 
 dr_opt[113][2] = 0 
 dr_opt[114][0] = 0 
 dr_opt[114][1] = 0 
 dr_opt[114][2] = 0 
 dr_opt[115][0] = 0 
 dr_opt[115][1] = 0 
 dr_opt[115][2] = 0 
 dr_opt[116][0] = -0.111893 
 dr_opt[116][1] = -0.0159986 
 dr_opt[116][2] = 0.0963646 
 dr_opt[117][0] = -0.104282 
 dr_opt[117][1] = -0.0204269 
 dr_opt[117][2] = 0.0967354 
 dr_opt[118][0] = -0.0917796 
 dr_opt[118][1] = -0.0252295 
 dr_opt[118][2] = 0.0999929 
 dr_opt[119][0] = -0.0841687 
 dr_opt[119][1] = -0.0296577 
 dr_opt[119][2] = 0.100364 
 dr_opt[120][0] = -0.0996484 
 dr_opt[120][1] = 0.208269 
 dr_opt[120][2] = 0.057779 
 dr_opt[121][0] = -0.0649456 
 dr_opt[121][1] = 0.120487 
 dr_opt[121][2] = 0.0241377 
 dr_opt[122][0] = -0.0322327 
 dr_opt[122][1] = 0.0318924 
 dr_opt[122][2] = 0.0569668 
 dr_opt[123][0] = 0.0024709 
 dr_opt[123][1] = -0.0558919 
 dr_opt[123][2] = 0.0233254 
 dr_opt[124][0] = 0 
 dr_opt[124][1] = 0 
 dr_opt[124][2] = 0 
 dr_opt[125][0] = 0 
 dr_opt[125][1] = 0 
 dr_opt[125][2] = 0 
 dr_opt[126][0] = 0 
 dr_opt[126][1] = 0 
 dr_opt[126][2] = 0 
 dr_opt[127][0] = 0 
 dr_opt[127][1] = 0 
 dr_opt[127][2] = 0 
 dr_opt[128][0] = 0 
 dr_opt[128][1] = 0 
 dr_opt[128][2] = 0 
 dr_opt[129][0] = 0 
 dr_opt[129][1] = 0 
 dr_opt[129][2] = 0 
 dr_opt[130][0] = 0 
 dr_opt[130][1] = 0 
 dr_opt[130][2] = 0 
 dr_opt[131][0] = 0 
 dr_opt[131][1] = 0 
 dr_opt[131][2] = 0 
 dr_opt[132][0] = 0 
 dr_opt[132][1] = 0 
 dr_opt[132][2] = 0 
 dr_opt[133][0] = 0 
 dr_opt[133][1] = 0 
 dr_opt[133][2] = 0 
 dr_opt[134][0] = 0 
 dr_opt[134][1] = 0 
 dr_opt[134][2] = 0 
 dr_opt[135][0] = 0 
 dr_opt[135][1] = 0 
 dr_opt[135][2] = 0 
 dr_opt[136][0] = 0 
 dr_opt[136][1] = 0 
 dr_opt[136][2] = 0 
 dr_opt[137][0] = 0 
 dr_opt[137][1] = 0 
 dr_opt[137][2] = 0 
 dr_opt[138][0] = 0 
 dr_opt[138][1] = 0 
 dr_opt[138][2] = 0 
 dr_opt[139][0] = 0 
 dr_opt[139][1] = 0 
 dr_opt[139][2] = 0 
 dr_opt[140][0] = 0 
 dr_opt[140][1] = 0 
 dr_opt[140][2] = 0 
 dr_opt[141][0] = 0 
 dr_opt[141][1] = 0 
 dr_opt[141][2] = 0 
 dr_opt[142][0] = 0 
 dr_opt[142][1] = 0 
 dr_opt[142][2] = 0 
 dr_opt[143][0] = 0 
 dr_opt[143][1] = 0 
 dr_opt[143][2] = 0 
 dr_opt[144][0] = 0 
 dr_opt[144][1] = 0 
 dr_opt[144][2] = 0 
 dr_opt[145][0] = 0 
 dr_opt[145][1] = 0 
 dr_opt[145][2] = 0 
 dr_opt[146][0] = 0 
 dr_opt[146][1] = 0 
 dr_opt[146][2] = 0 
 dr_opt[147][0] = 0 
 dr_opt[147][1] = 0 
 dr_opt[147][2] = 0 
 dr_opt[148][0] = 0 
 dr_opt[148][1] = 0 
 dr_opt[148][2] = 0 
 dr_opt[149][0] = 0 
 dr_opt[149][1] = 0 
 dr_opt[149][2] = 0 
 dr_opt[150][0] = 0 
 dr_opt[150][1] = 0 
 dr_opt[150][2] = 0 
 dr_opt[151][0] = 0 
 dr_opt[151][1] = 0 
 dr_opt[151][2] = 0 
 dr_opt[152][0] = -0.105554 
 dr_opt[152][1] = 0.0389787 
 dr_opt[152][2] = -0.0232685 
 dr_opt[153][0] = -0.0983254 
 dr_opt[153][1] = -0.0387265 
 dr_opt[153][2] = -0.0541117 
 dr_opt[154][0] = -0.0983671 
 dr_opt[154][1] = -0.117801 
 dr_opt[154][2] = -0.029777 
 dr_opt[155][0] = -0.0911382 
 dr_opt[155][1] = -0.195505 
 dr_opt[155][2] = -0.0606201 
 dr_opt[156][0] = 0.0719804 
 dr_opt[156][1] = 0.214855 
 dr_opt[156][2] = 0.0310009 
 dr_opt[157][0] = 0.0843281 
 dr_opt[157][1] = 0.237934 
 dr_opt[157][2] = 0.0351404 
 dr_opt[158][0] = 0.0383243 
 dr_opt[158][1] = 0.250978 
 dr_opt[158][2] = 0.0194276 
 dr_opt[159][0] = 0.050672 
 dr_opt[159][1] = 0.274058 
 dr_opt[159][2] = 0.0235671 
 n_atoms 160 dr2 0.0126332 opt_time 0.480192 opt_time_old 0.462624
   dr_max_old = 0.107179, efficiency_old = 1.1533 / cpu s
   dr_max = 0.117897, efficiency = 0.7191 / cpu s
   dr_max = 0.107179
   du_max = 0.0267949

Adjusting maximum size of molecule moves
 dr_opt[0][0] = 0.0834113 
 dr_opt[0][1] = -0.0849875 
 dr_opt[0][2] = -0.0113572 
 dr_opt[1][0] = 0.0223742 
 dr_opt[1][1] = -0.0189077 
 dr_opt[1][2] = 0.0241222 
 dr_opt[2][0] = 0.0371026 
 dr_opt[2][1] = 0.050348 
 dr_opt[2][2] = 0.0118662 
 dr_opt[3][0] = -0.0239352 
 dr_opt[3][1] = 0.116429 
 dr_opt[3][2] = 0.0473459 
 dr_opt[4][0] = 0 
 dr_opt[4][1] = 0 
 dr_opt[4][2] = 0 
 dr_opt[5][0] = 0 
 dr_opt[5][1] = 0 
 dr_opt[5][2] = 0 
 dr_opt[6][0] = 0 
 dr_opt[6][1] = 0 
 dr_opt[6][2] = 0 
 dr_opt[7][0] = 0 
 dr_opt[7][1] = 0 
 dr_opt[7][2] = 0 
 dr_opt[8][0] = -0.184381 
 dr_opt[8][1] = -0.0417004 
 dr_opt[8][2] = 0.0382041 
 dr_opt[9][0] = -0.0874685 
 dr_opt[9][1] = -0.0673828 
 dr_opt[9][2] = 0.0330402 
 dr_opt[10][0] = -0.0465651 
 dr_opt[10][1] = -0.093232 
 dr_opt[10][2] = 0.0461437 
 dr_opt[11][0] = 0.0503461 
 dr_opt[11][1] = -0.118914 
 dr_opt[11][2] = 0.0409796 
 dr_opt[12][0] = -0.0497163 
 dr_opt[12][1] = -0.255571 
 dr_opt[12][2] = -0.0159528 
 dr_opt[13][0] = -0.0908989 
 dr_opt[13][1] = -0.1262 
 dr_opt[13][2] = 0.0278586 
 dr_opt[14][0] = -0.186802 
 dr_opt[14][1] = 0.000706893 
 dr_opt[14][2] = -0.0133423 
 dr_opt[15][0] = -0.227985 
 dr_opt[15][1] = 0.13008 
 dr_opt[15][2] = 0.0304693 
 dr_opt[16][0] = 0 
 dr_opt[16][1] = 0 
 dr_opt[16][2] = 0 
 dr_opt[17][0] = 0 
 dr_opt[17][1] = 0 
 dr_opt[17][2] = 0 
 dr_opt[18][0] = 0 
 dr_opt[18][1] = 0 
 dr_opt[18][2] = 0 
 dr_opt[19][0] = 0 
 dr_opt[19][1] = 0 
 dr_opt[19][2] = 0 
 dr_opt[20][0] = 0 
 dr_opt[20][1] = 0 
 dr_opt[20][2] = 0 
 dr_opt[21][0] = 0 
 dr_opt[21][1] = 0 
 dr_opt[21][2] = 0 
 dr_opt[22][0] = 0 
 dr_opt[22][1] = 0 
 dr_opt[22][2] = 0 
 dr_opt[23][0] = 0 
 dr_opt[23][1] = 0 
 dr_opt[23][2] = 0 
 dr_opt[24][0] = 0 
 dr_opt[24][1] = 0 
 dr_opt[24][2] = 0 
 dr_opt[25][0] = 0 
 dr_opt[25][1] = 0 
 dr_opt[25][2] = 0 
 dr_opt[26][0] = 0 
 dr_opt[26][1] = 0 
 dr_opt[26][2] = 0 
 dr_opt[27][0] = 0 
 dr_opt[27][1] = 0 
 dr_opt[27][2] = 0 
 dr_opt[28][0] = 0.00628394 
 dr_opt[28][1] = -0.180082 
 dr_opt[28][2] = -0.0429895 
 dr_opt[29][0] = -0.0159427 
 dr_opt[29][1] = -0.146745 
 dr_opt[29][2] = -0.0335168 
 dr_opt[30][0] = -0.0444203 
 dr_opt[30][1] = -0.11626 
 dr_opt[30][2] = -0.0454745 
 dr_opt[31][0] = -0.0666471 
 dr_opt[31][1] = -0.082923 
 dr_opt[31][2] = -0.0360018 
 dr_opt[32][0] = 0.164496 
 dr_opt[32][1] = 0.100984 
 dr_opt[32][2] = 0.0691281 
 dr_opt[33][0] = 0.113904 
 dr_opt[33][1] = 0.0957265 
 dr_opt[33][2] = 0.0622101 
 dr_opt[34][0] = 0.0849477 
 dr_opt[34][1] = 0.0896654 
 dr_opt[34][2] = 0.0623474 
 dr_opt[35][0] = 0.0343546 
 dr_opt[35][1] = 0.084408 
 dr_opt[35][2] = 0.0554292 
 dr_opt[36][0] = 0 
 dr_opt[36][1] = 0 
 dr_opt[36][2] = 0 
 dr_opt[37][0] = 0 
 dr_opt[37][1] = 0 
 dr_opt[37][2] = 0 
 dr_opt[38][0] = 0 
 dr_opt[38][1] = 0 
 dr_opt[38][2] = 0 
 dr_opt[39][0] = 0 
 dr_opt[39][1] = 0 
 dr_opt[39][2] = 0 
 dr_opt[40][0] = 0 
 dr_opt[40][1] = 0 
 dr_opt[40][2] = 0 
 dr_opt[41][0] = 0 
 dr_opt[41][1] = 0 
 dr_opt[41][2] = 0 
 dr_opt[42][0] = 0 
 dr_opt[42][1] = 0 
 dr_opt[42][2] = 0 
 dr_opt[43][0] = 0 
 dr_opt[43][1] = 0 
 dr_opt[43][2] = 0 
 dr_opt[44][0] = -0.089431 
 dr_opt[44][1] = -0.113202 
 dr_opt[44][2] = -0.0475021 
 dr_opt[45][0] = -0.00936131 
 dr_opt[45][1] = -0.0480544 
 dr_opt[45][2] = -0.0497629 
 dr_opt[46][0] = 0.080445 
 dr_opt[46][1] = 0.0097567 
 dr_opt[46][2] = -0.0925462 
 dr_opt[47][0] = 0.160515 
 dr_opt[47][1] = 0.074904 
 dr_opt[47][2] = -0.0948071 
 dr_opt[48][0] = 0 
 dr_opt[48][1] = 0 
 dr_opt[48][2] = 0 
 dr_opt[49][0] = 0 
 dr_opt[49][1] = 0 
 dr_opt[49][2] = 0 
 dr_opt[50][0] = 0 
 dr_opt[50][1] = 0 
 dr_opt[50][2] = 0 
 dr_opt[51][0] = 0 
 dr_opt[51][1] = 0 
 dr_opt[51][2] = 0 
 dr_opt[52][0] = 0 
 dr_opt[52][1] = 0 
 dr_opt[52][2] = 0 
 dr_opt[53][0] = 0 
 dr_opt[53][1] = 0 
 dr_opt[53][2] = 0 
 dr_opt[54][0] = 0 
 dr_opt[54][1] = 0 
 dr_opt[54][2] = 0 
 dr_opt[55][0] = 0 
 dr_opt[55][1] = 0 
 dr_opt[55][2] = 0 
 dr_opt[56][0] = 0 
 dr_opt[56][1] = 0 
 dr_opt[56][2] = 0 
 dr_opt[57][0] = 0 
 dr_opt[57][1] = 0 
 dr_opt[57][2] = 0 
 dr_opt[58][0] = 0 
 dr_opt[58][1] = 0 
 dr_opt[58][2] = 0 
 dr_opt[59][0] = 0 
 dr_opt[59][1] = 0 
 dr_opt[59][2] = 0 
 dr_opt[60][0] = 0.0535909 
 dr_opt[60][1] = -0.00312145 
 dr_opt[60][2] = -0.0224433 
 dr_opt[61][0] = -0.00802423 
 dr_opt[61][1] = -0.021086 
 dr_opt[61][2] = -0.029764 
 dr_opt[62][0] = -0.0195298 
 dr_opt[62][1] = -0.0362102 
 dr_opt[62][2] = -0.0230877 
 dr_opt[63][0] = -0.0811437 
 dr_opt[63][1] = -0.0541744 
 dr_opt[63][2] = -0.0304084 
 dr_opt[64][0] = 0 
 dr_opt[64][1] = 0 
 dr_opt[64][2] = 0 
 dr_opt[65][0] = 0 
 dr_opt[65][1] = 0 
 dr_opt[65][2] = 0 
 dr_opt[66][0] = 0 
 dr_opt[66][1] = 0 
 dr_opt[66][2] = 0 
 dr_opt[67][0] = 0 
 dr_opt[67][1] = 0 
 dr_opt[67][2] = 0 
 dr_opt[68][0] = 0 
 dr_opt[68][1] = 0 
 dr_opt[68][2] = 0 
 dr_opt[69][0] = 0 
 dr_opt[69][1] = 0 
 dr_opt[69][2] = 0 
 dr_opt[70][0] = 0 
 dr_opt[70][1] = 0 
 dr_opt[70][2] = 0 
 dr_opt[71][0] = 0 
 dr_opt[71][1] = 0 
 dr_opt[71][2] = 0 
 dr_opt[72][0] = 0 
 dr_opt[72][1] = 0 
 dr_opt[72][2] = 0 
 dr_opt[73][0] = 0 
 dr_opt[73][1] = 0 
 dr_opt[73][2] = 0 
 dr_opt[74][0] = 0 
 dr_opt[74][1] = 0 
 dr_opt[74][2] = 0 
 dr_opt[75][0] = 0 
 dr_opt[75][1] = 0 
 dr_opt[75][2] = 0 
 dr_opt[76][0] = 0.0582925 
 dr_opt[76][1] = 0.020418 
 dr_opt[76][2] = 0.0250774 
 dr_opt[77][0] = 0.0867212 
 dr_opt[77][1] = -0.0475726 
 dr_opt[77][2] = 0.0151678 
 dr_opt[78][0] = 0.126386 
 dr_opt[78][1] = -0.109073 
 dr_opt[78][2] = 0.0558145 
 dr_opt[79][0] = 0.154814 
 dr_opt[79][1] = -0.177063 
 dr_opt[79][2] = 0.0459046 
 dr_opt[80][0] = -0.181008 
 dr_opt[80][1] = -0.0608281 
 dr_opt[80][2] = -0.101677 
 dr_opt[81][0] = -0.0587876 
 dr_opt[81][1] = 0.026913 
 dr_opt[81][2] = -0.0532117 
 dr_opt[82][0] = 0.0250468 
 dr_opt[82][1] = 0.103529 
 dr_opt[82][2] = -0.0483345 
 dr_opt[83][0] = 0.147267 
 dr_opt[83][1] = 0.19127 
 dr_opt[83][2] = 0.000130042 
 dr_opt[84][0] = 0 
 dr_opt[84][1] = 0 
 dr_opt[84][2] = 0 
 dr_opt[85][0] = 0 
 dr_opt[85][1] = 0 
 dr_opt[85][2] = 0 
 dr_opt[86][0] = 0 
 dr_opt[86][1] = 0 
 dr_opt[86][2] = 0 
 dr_opt[87][0] = 0 
 dr_opt[87][1] = 0 
 dr_opt[87][2] = 0 
 dr_opt[88][0] = -0.0389252 
 dr_opt[88][1] = 0.085903 
 dr_opt[88][2] = 0.0573276 
 dr_opt[89][0] = 0.0646334 
 dr_opt[89][1] = 0.0697528 
 dr_opt[89][2] = 0.051187 
 dr_opt[90][0] = 0.133535 
 dr_opt[90][1] = 0.0536702 
 dr_opt[90][2] = 0.0568304 
 dr_opt[91][0] = 0.237095 
 dr_opt[91][1] = 0.0375197 
 dr_opt[91][2] = 0.0506899 
 dr_opt[92][0] = 0.0012194 
 dr_opt[92][1] = 0.0268102 
 dr_opt[92][2] = -0.0549568 
 dr_opt[93][0] = -0.0291283 
 dr_opt[93][1] = -0.0296133 
 dr_opt[93][2] = -0.0878775 
 dr_opt[94][0] = -0.127486 
 dr_opt[94][1] = -0.0848674 
 dr_opt[94][2] = -0.0832629 
 dr_opt[95][0] = -0.157834 
 dr_opt[95][1] = -0.141291 
 dr_opt[95][2] = -0.116183 
 dr_opt[96][0] = 0 
 dr_opt[96][1] = 0 
 dr_opt[96][2] = 0 
 dr_opt[97][0] = 0 
 dr_opt[97][1] = 0 
 dr_opt[97][2] = 0 
 dr_opt[98][0] = 0 
 dr_opt[98][1] = 0 
 dr_opt[98][2] = 0 
 dr_opt[99][0] = 0 
 dr_opt[99][1] = 0 
 dr_opt[99][2] = 0 
 dr_opt[100][0] = 0 
 dr_opt[100][1] = 0 
 dr_opt[100][2] = 0 
 dr_opt[101][0] = 0 
 dr_opt[101][1] = 0 
 dr_opt[101][2] = 0 
 dr_opt[102][0] = 0 
 dr_opt[102][1] = 0 
 dr_opt[102][2] = 0 
 dr_opt[103][0] = 0 
 dr_opt[103][1] = 0 
 dr_opt[103][2] = 0 
 dr_opt[104][0] = -0.0176973 
 dr_opt[104][1] = -0.17926 
 dr_opt[104][2] = 0.0493981 
 dr_opt[105][0] = 0.0178973 
 dr_opt[105][1] = -0.0847354 
 dr_opt[105][2] = 0.0783497 
 dr_opt[106][0] = 0.0332954 
 dr_opt[106][1] = 0.00772903 
 dr_opt[106][2] = 0.0409966 
 dr_opt[107][0] = 0.0688899 
 dr_opt[107][1] = 0.102254 
 dr_opt[107][2] = 0.0699482 
 dr_opt[108][0] = 0 
 dr_opt[108][1] = 0 
 dr_opt[108][2] = 0 
 dr_opt[109][0] = 0 
 dr_opt[109][1] = 0 
 dr_opt[109][2] = 0 
 dr_opt[110][0] = 0 
 dr_opt[110][1] = 0 
 dr_opt[110][2] = 0 
 dr_opt[111][0] = 0 
 dr_opt[111][1] = 0 
 dr_opt[111][2] = 0 
 dr_opt[112][0] = 0.0622561 
 dr_opt[112][1] = -0.0280081 
 dr_opt[112][2] = 0.15059 
 dr_opt[113][0] = -0.00740908 
 dr_opt[113][1] = -0.0335823 
 dr_opt[113][2] = 0.148965 
 dr_opt[114][0] = -0.0853915 
 dr_opt[114][1] = -0.0386847 
 dr_opt[114][2] = 0.152043 
 dr_opt[115][0] = -0.155057 
 dr_opt[115][1] = -0.0442589 
 dr_opt[115][2] = 0.150418 
 dr_opt[116][0] = -0.108438 
 dr_opt[116][1] = -0.168712 
 dr_opt[116][2] = 0.0961516 
 dr_opt[117][0] = -0.112464 
 dr_opt[117][1] = -0.0745846 
 dr_opt[117][2] = 0.110331 
 dr_opt[118][0] = -0.0750998 
 dr_opt[118][1] = 0.00161658 
 dr_opt[118][2] = 0.066353 
 dr_opt[119][0] = -0.0791266 
 dr_opt[119][1] = 0.0957446 
 dr_opt[119][2] = 0.0805328 
 dr_opt[120][0] = 0 
 dr_opt[120][1] = 0 
 dr_opt[120][2] = 0 
 dr_opt[121][0] = 0 
 dr_opt[121][1] = 0 
 dr_opt[121][2] = 0 
 dr_opt[122][0] = 0 
 dr_opt[122][1] = 0 
 dr_opt[122][2] = 0 
 dr_opt[123][0] = 0 
 dr_opt[123][1] = 0 
 dr_opt[123][2] = 0 
 dr_opt[124][0] = 0 
 dr_opt[124][1] = 0 
 dr_opt[124][2] = 0 
 dr_opt[125][0] = 0 
 dr_opt[125][1] = 0 
 dr_opt[125][2] = 0 
 dr_opt[126][0] = 0 
 dr_opt[126][1] = 0 
 dr_opt[126][2] = 0 
 dr_opt[127][0] = 0 
 dr_opt[127][1] = 0 
 dr_opt[127][2] = 0 
 dr_opt[128][0] = 0 
 dr_opt[128][1] = 0 
 dr_opt[128][2] = 0 
 dr_opt[129][0] = 0 
 dr_opt[129][1] = 0 
 dr_opt[129][2] = 0 
 dr_opt[130][0] = 0 
 dr_opt[130][1] = 0 
 dr_opt[130][2] = 0 
 dr_opt[131][0] = 0 
 dr_opt[131][1] = 0 
 dr_opt[131][2] = 0 
 dr_opt[132][0] = 0.01958 
 dr_opt[132][1] = 0.0300623 
 dr_opt[132][2] = -0.0861233 
 dr_opt[133][0] = 0.0472043 
 dr_opt[133][1] = 0.0403658 
 dr_opt[133][2] = -0.0857095 
 dr_opt[134][0] = 0.112913 
 dr_opt[134][1] = 0.0511864 
 dr_opt[134][2] = -0.0953162 
 dr_opt[135][0] = 0.140539 
 dr_opt[135][1] = 0.0614901 
 dr_opt[135][2] = -0.0949026 
 dr_opt[136][0] = 0 
 dr_opt[136][1] = 0 
 dr_opt[136][2] = 0 
 dr_opt[137][0] = 0 
 dr_opt[137][1] = 0 
 dr_opt[137][2] = 0 
 dr_opt[138][0] = 0 
 dr_opt[138][1] = 0 
 dr_opt[138][2] = 0 
 dr_opt[139][0] = 0 
 dr_opt[139][1] = 0 
 dr_opt[139][2] = 0 
 dr_opt[140][0] = -0.143152 
 dr_opt[140][1] = -0.142477 
 dr_opt[140][2] = -0.00667892 
 dr_opt[141][0] = -0.0797931 
 dr_opt[141][1] = -0.0966074 
 dr_opt[141][2] = 0.00576165 
 dr_opt[142][0] = -0.0629831 
 dr_opt[142][1] = -0.0528382 
 dr_opt[142][2] = -0.0141842 
 dr_opt[143][0] = 0.000376321 
 dr_opt[143][1] = -0.00696858 
 dr_opt[143][2] = -0.00174358 
 dr_opt[144][0] = 0 
 dr_opt[144][1] = 0 
 dr_opt[144][2] = 0 
 dr_opt[145][0] = 0 
 dr_opt[145][1] = 0 
 dr_opt[145][2] = 0 
 dr_opt[146][0] = 0 
 dr_opt[146][1] = 0 
 dr_opt[146][2] = 0 
 dr_opt[147][0] = 0 
 dr_opt[147][1] = 0 
 dr_opt[147][2] = 0 
 dr_opt[148][0] = -0.136595 
 dr_opt[148][1] = 0.142404 
 dr_opt[148][2] = -0.0483678 
 dr_opt[149][0] = -0.0852979 
 dr_opt[149][1] = 0.0742244 
 dr_opt[149][2] = -0.0726926 
 dr_opt[150][0] = -0.0377001 
 dr_opt[150][1] = 0.010221 
 dr_opt[150][2] = -0.0465389 
 dr_opt[151][0] = 0.013596 
 dr_opt[151][1] = -0.0579574 
 dr_opt[151][2] = -0.0708636 
 dr_opt[152][0] = 0.0286804 
 dr_opt[152][1] = -0.231693 
 dr_opt[152][2] = -0.0585591 
 dr_opt[153][0] = 0.0263379 
 dr_opt[153][1] = -0.142744 
 dr_opt[153][2] = -0.0228822 
 dr_opt[154][0] = -0.0264587 
 dr_opt[154][1] = -0.0414686 
 dr_opt[154][2] = -0.0537476 
 dr_opt[155][0] = -0.0288007 
 dr_opt[155][1] = 0.0474787 
 dr_opt[155][2] = -0.0180708 
 dr_opt[156][0] = -0.0197383 
 dr_opt[156][1] = 0.112116 
 dr_opt[156][2] = 0.0303514 
 dr_opt[157][0] = 0.0207707 
 dr_opt[157][1] = 0.0681032 
 dr_opt[157][2] = 0.026453 
 dr_opt[158][0] = 0.0511959 
 dr_opt[158][1] = 0.0300076 
 dr_opt[158][2] = 0.055092 
 dr_opt[159][0] = 0.091705 
 dr_opt[159][1] = -0.0140052 
 dr_opt[159][2] = 0.0511936 
 n_atoms 160 dr2 0.010585 opt_time 0.493856 opt_time_old 0.480192
   dr_max_old = 0.117897, efficiency_old = 0.7191 / cpu s
   dr_max = 0.107179, efficiency = 0.774666 / cpu s
   dr_max = 0.0974359
   du_max = 0.024359

Block averages for block 1, MC cycles 11 - 20
   h[0][0] = 6.55118
   h[1][1] = 6.55118
   h[2][2] = 24.4
   volume = 1047.2
   rho_star = 0.2
   layer_spacing = 6.1
         i_species = 0
   q = -0.49367 0.00157012 -0.0272464
       0.00157012 -0.492536 -0.027074
       -0.0272464 -0.027074 0.986206
   cos_theta = 0.999663
   theta = 1.48793 degrees
   phi = -135.16 degrees
   lambda[0] = 0.987203
   lambda[1] = -0.492388
   lambda[2] = -0.494815
   mol_accept = 0.7325

Adjusting maximum size of molecule moves
 dr_opt[0][0] = 0 
 dr_opt[0][1] = 0 
 dr_opt[0][2] = 0 
 dr_opt[1][0] = 0 
 dr_opt[1][1] = 0 
 dr_opt[1][2] = 0 
 dr_opt[2][0] = 0 
 dr_opt[2][1] = 0 
 dr_opt[2][2] = 0 
 dr_opt[3][0] = 0 
 dr_opt[3][1] = 0 
 dr_opt[3][2] = 0 
 dr_opt[4][0] = 0 
 dr_opt[4][1] = 0 
 dr_opt[4][2] = 0 
 dr_opt[5][0] = 0 
 dr_opt[5][1] = 0 
 dr_opt[5][2] = 0 
 dr_opt[6][0] = 0 
 dr_opt[6][1] = 0 
 dr_opt[6][2] = 0 
 dr_opt[7][0] = 0 
 dr_opt[7][1] = 0 
 dr_opt[7][2] = 0 
 dr_opt[8][0] = 0.133125 
 dr_opt[8][1] = -0.0824654 
 dr_opt[8][2] = 0.00554116 
 dr_opt[9][0] = 0.059909 
 dr_opt[9][1] = -0.0344397 
 dr_opt[9][2] = 0.0179873 
 dr_opt[10][0] = 0.0550785 
 dr_opt[10][1] = 0.0125709 
 dr_opt[10][2] = -0.00309033 
 dr_opt[11][0] = -0.0181366 
 dr_opt[11][1] = 0.0605956 
 dr_opt[11][2] = 0.0093561 
 dr_opt[12][0] = 0 
 dr_opt[12][1] = 0 
 dr_opt[12][2] = 0 
 dr_opt[13][0] = 0 
 dr_opt[13][1] = 0 
 dr_opt[13][2] = 0 
 dr_opt[14][0] = 0 
 dr_opt[14][1] = 0 
 dr_opt[14][2] = 0 
 dr_opt[15][0] = 0 
 dr_opt[15][1] = 0 
 dr_opt[15][2] = 0 
 dr_opt[16][0] = 0 
 dr_opt[16][1] = 0 
 dr_opt[16][2] = 0 
 dr_opt[17][0] = 0 
 dr_opt[17][1] = 0 
 dr_opt[17][2] = 0 
 dr_opt[18][0] = 0 
 dr_opt[18][1] = 0 
 dr_opt[18][2] = 0 
 dr_opt[19][0] = 0 
 dr_opt[19][1] = 0 
 dr_opt[19][2] = 0 
 dr_opt[20][0] = -0.126517 
 dr_opt[20][1] = -0.0668677 
 dr_opt[20][2] = -0.0561467 
 dr_opt[21][0] = -0.112414 
 dr_opt[21][1] = -0.083254 
 dr_opt[21][2] = -0.0611286 
 dr_opt[22][0] = -0.0745452 
 dr_opt[22][1] = -0.0966712 
 dr_opt[22][2] = -0.05296 
 dr_opt[23][0] = -0.0604426 
 dr_opt[23][1] = -0.113058 
 dr_opt[23][2] = -0.0579419 
 dr_opt[24][0] = 0.149748 
 dr_opt[24][1] = 0.21519 
 dr_opt[24][2] = 0.0843976 
 dr_opt[25][0] = 0.0706125 
 dr_opt[25][1] = 0.133818 
 dr_opt[25][2] = 0.0478633 
 dr_opt[26][0] = 0.0199706 
 dr_opt[26][1] = 0.0504247 
 dr_opt[26][2] = 0.068544 
 dr_opt[27][0] = -0.0591642 
 dr_opt[27][1] = -0.0309473 
 dr_opt[27][2] = 0.0320103 
 dr_opt[28][0] = 0.0184871 
 dr_opt[28][1] = 0.0746468 
 dr_opt[28][2] = 0.0562166 
 dr_opt[29][0] = 0.0231177 
 dr_opt[29][1] = 0.0858162 
 dr_opt[29][2] = 0.0580067 
 dr_opt[30][0] = 0.0159615 
 dr_opt[30][1] = 0.0964237 
 dr_opt[30][2] = 0.0532024 
 dr_opt[31][0] = 0.020592 
 dr_opt[31][1] = 0.107593 
 dr_opt[31][2] = 0.0549925 
 dr_opt[32][0] = -0.0462775 
 dr_opt[32][1] = 0.0892157 
 dr_opt[32][2] = 0.072661 
 dr_opt[33][0] = -0.0441006 
 dr_opt[33][1] = 0.00129438 
 dr_opt[33][2] = 0.0384192 
 dr_opt[34][0] = -0.0328549 
 dr_opt[34][1] = -0.0888848 
 dr_opt[34][2] = 0.0698042 
 dr_opt[35][0] = -0.0306779 
 dr_opt[35][1] = -0.176808 
 dr_opt[35][2] = 0.0355622 
 dr_opt[36][0] = -8.54927e-05 
 dr_opt[36][1] = -0.0454907 
 dr_opt[36][2] = -0.0718419 
 dr_opt[37][0] = 0.000612552 
 dr_opt[37][1] = -0.0738801 
 dr_opt[37][2] = -0.0836489 
 dr_opt[38][0] = -0.0931389 
 dr_opt[38][1] = -0.106547 
 dr_opt[38][2] = -0.0804562 
 dr_opt[39][0] = -0.0924409 
 dr_opt[39][1] = -0.134937 
 dr_opt[39][2] = -0.0922634 
 dr_opt[40][0] = 0 
 dr_opt[40][1] = 0 
 dr_opt[40][2] = 0 
 dr_opt[41][0] = 0 
 dr_opt[41][1] = 0 
 dr_opt[41][2] = 0 
 dr_opt[42][0] = 0 
 dr_opt[42][1] = 0 
 dr_opt[42][2] = 0 
 dr_opt[43][0] = 0 
 dr_opt[43][1] = 0 
 dr_opt[43][2] = 0 
 dr_opt[44][0] = 0 
 dr_opt[44][1] = 0 
 dr_opt[44][2] = 0 
 dr_opt[45][0] = 0 
 dr_opt[45][1] = 0 
 dr_opt[45][2] = 0 
 dr_opt[46][0] = 0 
 dr_opt[46][1] = 0 
 dr_opt[46][2] = 0 
 dr_opt[47][0] = 0 
 dr_opt[47][1] = 0 
 dr_opt[47][2] = 0 
 dr_opt[48][0] = 0 
 dr_opt[48][1] = 0 
 dr_opt[48][2] = 0 
 dr_opt[49][0] = 0 
 dr_opt[49][1] = 0 
 dr_opt[49][2] = 0 
 dr_opt[50][0] = 0 
 dr_opt[50][1] = 0 
 dr_opt[50][2] = 0 
 dr_opt[51][0] = 0 
 dr_opt[51][1] = 0 
 dr_opt[51][2] = 0 
 dr_opt[52][0] = -0.0188019 
 dr_opt[52][1] = -0.0506818 
 dr_opt[52][2] = -0.0537686 
 dr_opt[53][0] = -0.100668 
 dr_opt[53][1] = -0.0695214 
 dr_opt[53][2] = -0.0606749 
 dr_opt[54][0] = -0.206085 
 dr_opt[54][1] = -0.0892436 
 dr_opt[54][2] = -0.0568634 
 dr_opt[55][0] = -0.28795 
 dr_opt[55][1] = -0.108083 
 dr_opt[55][2] = -0.0637697 
 dr_opt[56][0] = 0 
 dr_opt[56][1] = 0 
 dr_opt[56][2] = 0 
 dr_opt[57][0] = 0 
 dr_opt[57][1] = 0 
 dr_opt[57][2] = 0 
 dr_opt[58][0] = 0 
 dr_opt[58][1] = 0 
 dr_opt[58][2] = 0 
 dr_opt[59][0] = 0 
 dr_opt[59][1] = 0 
 dr_opt[59][2] = 0 
 dr_opt[60][0] = 0 
 dr_opt[60][1] = 0 
 dr_opt[60][2] = 0 
 dr_opt[61][0] = 0 
 dr_opt[61][1] = 0 
 dr_opt[61][2] = 0 
 dr_opt[62][0] = 0 
 dr_opt[62][1] = 0 
 dr_opt[62][2] = 0 
 dr_opt[63][0] = 0 
 dr_opt[63][1] = 0 
 dr_opt[63][2] = 0 
 dr_opt[64][0] = 0.0155672 
 dr_opt[64][1] = -0.196734 
 dr_opt[64][2] = -0.0465732 
 dr_opt[65][0] = -0.0293497 
 dr_opt[65][1] = -0.118242 
 dr_opt[65][2] = -0.0293444 
 dr_opt[66][0] = -0.0513488 
 dr_opt[66][1] = -0.0444049 
 dr_opt[66][2] = -0.064101 
 dr_opt[67][0] = -0.0962664 
 dr_opt[67][1] = 0.0340885 
 dr_opt[67][2] = -0.0468723 
 dr_opt[68][0] = -0.0318446 
 dr_opt[68][1] = 0.042141 
 dr_opt[68][2] = 0.0401876 
 dr_opt[69][0] = -0.0839446 
 dr_opt[69][1] = -0.0340397 
 dr_opt[69][2] = 0.0122087 
 dr_opt[70][0] = -0.0703349 
 dr_opt[70][1] = -0.107255 
 dr_opt[70][2] = 0.0422437 
 dr_opt[71][0] = -0.122435 
 dr_opt[71][1] = -0.183438 
 dr_opt[71][2] = 0.0142648 
 dr_opt[72][0] = 0 
 dr_opt[72][1] = 0 
 dr_opt[72][2] = 0 
 dr_opt[73][0] = 0 
 dr_opt[73][1] = 0 
 dr_opt[73][2] = 0 
 dr_opt[74][0] = 0 
 dr_opt[74][1] = 0 
 dr_opt[74][2] = 0 
 dr_opt[75][0] = 0 
 dr_opt[75][1] = 0 
 dr_opt[75][2] = 0 
 dr_opt[76][0] = -0.00762556 
 dr_opt[76][1] = 0.146901 
 dr_opt[76][2] = -0.0758365 
 dr_opt[77][0] = -0.068672 
 dr_opt[77][1] = 0.0935089 
 dr_opt[77][2] = -0.102128 
 dr_opt[78][0] = -0.111039 
 dr_opt[78][1] = 0.0437546 
 dr_opt[78][2] = -0.0861891 
 dr_opt[79][0] = -0.172084 
 dr_opt[79][1] = -0.00963648 
 dr_opt[79][2] = -0.11248 
 dr_opt[80][0] = 0.120057 
 dr_opt[80][1] = 0.00256173 
 dr_opt[80][2] = 0.0818835 
 dr_opt[81][0] = 0.105138 
 dr_opt[81][1] = -0.00263763 
 dr_opt[81][2] = 0.0790142 
 dr_opt[82][0] = 0.0543549 
 dr_opt[82][1] = -0.0204065 
 dr_opt[82][2] = 0.069197 
 dr_opt[83][0] = 0.0394356 
 dr_opt[83][1] = -0.0256059 
 dr_opt[83][2] = 0.0663276 
 dr_opt[84][0] = 0.057878 
 dr_opt[84][1] = -0.108113 
 dr_opt[84][2] = 0.0455222 
 dr_opt[85][0] = 0.0328465 
 dr_opt[85][1] = -0.0403638 
 dr_opt[85][2] = 0.0612492 
 dr_opt[86][0] = 0.00204211 
 dr_opt[86][1] = 0.0197917 
 dr_opt[86][2] = 0.027368 
 dr_opt[87][0] = -0.0229888 
 dr_opt[87][1] = 0.0875401 
 dr_opt[87][2] = 0.043095 
 dr_opt[88][0] = 0 
 dr_opt[88][1] = 0 
 dr_opt[88][2] = 0 
 dr_opt[89][0] = 0 
 dr_opt[89][1] = 0 
 dr_opt[89][2] = 0 
 dr_opt[90][0] = 0 
 dr_opt[90][1] = 0 
 dr_opt[90][2] = 0 
 dr_opt[91][0] = 0 
 dr_opt[91][1] = 0 
 dr_opt[91][2] = 0 
 dr_opt[92][0] = 0.0272116 
 dr_opt[92][1] = 0.0682096 
 dr_opt[92][2] = 0.0609032 
 dr_opt[93][0] = -0.0263419 
 dr_opt[93][1] = 0.0543094 
 dr_opt[93][2] = 0.0435193 
 dr_opt[94][0] = -0.0425332 
 dr_opt[94][1] = 0.034934 
 dr_opt[94][2] = 0.0459397 
 dr_opt[95][0] = -0.0960864 
 dr_opt[95][1] = 0.0210338 
 dr_opt[95][2] = 0.028556 
 dr_opt[96][0] = -0.202014 
 dr_opt[96][1] = -0.0825231 
 dr_opt[96][2] = -0.0552526 
 dr_opt[97][0] = -0.137852 
 dr_opt[97][1] = -0.0235015 
 dr_opt[97][2] = -0.0422929 
 dr_opt[98][0] = -0.0333623 
 dr_opt[98][1] = 0.0293921 
 dr_opt[98][2] = -0.0793872 
 dr_opt[99][0] = 0.0307983 
 dr_opt[99][1] = 0.0884125 
 dr_opt[99][2] = -0.0664277 
 dr_opt[100][0] = -0.0237434 
 dr_opt[100][1] = 0.180295 
 dr_opt[100][2] = -0.019113 
 dr_opt[101][0] = -0.0735053 
 dr_opt[101][1] = 0.0865266 
 dr_opt[101][2] = -0.0438849 
 dr_opt[102][0] = -0.118707 
 dr_opt[102][1] = 0.00113464 
 dr_opt[102][2] = -0.00262959 
 dr_opt[103][0] = -0.168468 
 dr_opt[103][1] = -0.0926333 
 dr_opt[103][2] = -0.0274015 
 dr_opt[104][0] = 0.443012 
 dr_opt[104][1] = -0.243239 
 dr_opt[104][2] = -0.240842 
 dr_opt[105][0] = 0.353385 
 dr_opt[105][1] = -0.206663 
 dr_opt[105][2] = -0.22403 
 dr_opt[106][0] = 0.206382 
 dr_opt[106][1] = -0.174702 
 dr_opt[106][2] = -0.233662 
 dr_opt[107][0] = 0.116755 
 dr_opt[107][1] = -0.138127 
 dr_opt[107][2] = -0.21685 
 dr_opt[108][0] = 0 
 dr_opt[108][1] = 0 
 dr_opt[108][2] = 0 
 dr_opt[109][0] = 0 
 dr_opt[109][1] = 0 
 dr_opt[109][2] = 0 
 dr_opt[110][0] = 0 
 dr_opt[110][1] = 0 
 dr_opt[110][2] = 0 
 dr_opt[111][0] = 0 
 dr_opt[111][1] = 0 
 dr_opt[111][2] = 0 
 dr_opt[112][0] = 0.0569065 
 dr_opt[112][1] = -0.0980132 
 dr_opt[112][2] = -0.0547161 
 dr_opt[113][0] = 0.0688715 
 dr_opt[113][1] = -0.0305397 
 dr_opt[113][2] = -0.0366817 
 dr_opt[114][0] = 0.0158756 
 dr_opt[114][1] = 0.0316955 
 dr_opt[114][2] = -0.0673262 
 dr_opt[115][0] = 0.0278406 
 dr_opt[115][1] = 0.0991691 
 dr_opt[115][2] = -0.0492918 
 dr_opt[116][0] = 0 
 dr_opt[116][1] = 0 
 dr_opt[116][2] = 0 
 dr_opt[117][0] = 0 
 dr_opt[117][1] = 0 
 dr_opt[117][2] = 0 
 dr_opt[118][0] = 0 
 dr_opt[118][1] = 0 
 dr_opt[118][2] = 0 
 dr_opt[119][0] = 0 
 dr_opt[119][1] = 0 
 dr_opt[119][2] = 0 
 dr_opt[120][0] = -0.194476 
 dr_opt[120][1] = 0.056859 
 dr_opt[120][2] = -0.0759107 
 dr_opt[121][0] = -0.0817841 
 dr_opt[121][1] = 0.0796963 
 dr_opt[121][2] = -0.0741485 
 dr_opt[122][0] = -0.0171156 
 dr_opt[122][1] = 0.0965144 
 dr_opt[122][2] = -0.0777864 
 dr_opt[123][0] = 0.0955785 
 dr_opt[123][1] = 0.119352 
 dr_opt[123][2] = -0.0760242 
 dr_opt[124][0] = 0 
 dr_opt[124][1] = 0 
 dr_opt[124][2] = 0 
 dr_opt[125][0] = 0 
 dr_opt[125][1] = 0 
 dr_opt[125][2] = 0 
 dr_opt[126][0] = 0 
 dr_opt[126][1] = 0 
 dr_opt[126][2] = 0 
 dr_opt[127][0] = 0 
 dr_opt[127][1] = 0 
 dr_opt[127][2] = 0 
 dr_opt[128][0] = 0.0163889 
 dr_opt[128][1] = 0.148326 
 dr_opt[128][2] = 0.0200544 
 dr_opt[129][0] = -0.0102051 
 dr_opt[129][1] = 0.0653005 
 dr_opt[129][2] = -0.0115218 
 dr_opt[130][0] = 0.00106771 
 dr_opt[130][1] = -0.0153111 
 dr_opt[130][2] = 0.0191571 
 dr_opt[131][0] = -0.0255264 
 dr_opt[131][1] = -0.0983362 
 dr_opt[131][2] = -0.0124192 
 dr_opt[132][0] = 0.0977416 
 dr_opt[132][1] = 0.00814283 
 dr_opt[132][2] = -0.0604503 
 dr_opt[133][0] = 0.0547747 
 dr_opt[133][1] = 0.0331 
 dr_opt[133][2] = -0.0498341 
 dr_opt[134][0] = 0.0227737 
 dr_opt[134][1] = 0.0566908 
 dr_opt[134][2] = -0.0580815 
 dr_opt[135][0] = -0.0201939 
 dr_opt[135][1] = 0.0816485 
 dr_opt[135][2] = -0.0474654 
 dr_opt[136][0] = 0 
 dr_opt[136][1] = 0 
 dr_opt[136][2] = 0 
 dr_opt[137][0] = 0 
 dr_opt[137][1] = 0 
 dr_opt[137][2] = 0 
 dr_opt[138][0] = 0 
 dr_opt[138][1] = 0 
 dr_opt[138][2] = 0 
 dr_opt[139][0] = 0 
 dr_opt[139][1] = 0 
 dr_opt[139][2] = 0 
 dr_opt[140][0] = 0 
 dr_opt[140][1] = 0 
 dr_opt[140][2] = 0 
 dr_opt[141][0] = 0 
 dr_opt[141][1] = 0 
 dr_opt[141][2] = 0 
 dr_opt[142][0] = 0 
 dr_opt[142][1] = 0 
 dr_opt[142][2] = 0 
 dr_opt[143][0] = 0 
 dr_opt[143][1] = 0 
 dr_opt[143][2] = 0 
 dr_opt[144][0] = 0 
 dr_opt[144][1] = 0 
 dr_opt[144][2] = 0 
 dr_opt[145][0] = 0 
 dr_opt[145][1] = 0 
 dr_opt[145][2] = 0 
 dr_opt[146][0] = 0 
 dr_opt[146][1] = 0 
 dr_opt[146][2] = 0 
 dr_opt[147][0] = 0 
 dr_opt[147][1] = 0 
 dr_opt[147][2] = 0 
 dr_opt[148][0] = 0.0818333 
 dr_opt[148][1] = -0.00443499 
 dr_opt[148][2] = -0.043585 
 dr_opt[149][0] = 0.078376 
 dr_opt[149][1] = -0.0314416 
 dr_opt[149][2] = -0.0509769 
 dr_opt[150][0] = 0.0113758 
 dr_opt[150][1] = -0.0621395 
 dr_opt[150][2] = -0.0319591 
 dr_opt[151][0] = 0.00791916 
 dr_opt[151][1] = -0.0891455 
 dr_opt[151][2] = -0.039351 
 dr_opt[152][0] = 0.0168859 
 dr_opt[152][1] = 0.147555 
 dr_opt[152][2] = 0.0579109 
 dr_opt[153][0] = 0.0460955 
 dr_opt[153][1] = 0.0993347 
 dr_opt[153][2] = 0.0421646 
 dr_opt[154][0] = 0.12929 
 dr_opt[154][1] = 0.0400828 
 dr_opt[154][2] = 0.0593405 
 dr_opt[155][0] = 0.158498 
 dr_opt[155][1] = -0.00813611 
 dr_opt[155][2] = 0.0435942 
 dr_opt[156][0] = 0 
 dr_opt[156][1] = 0 
 dr_opt[156][2] = 0 
 dr_opt[157][0] = 0 
 dr_opt[157][1] = 0 
 dr_opt[157][2] = 0 
 dr_opt[158][0] = 0 
 dr_opt[158][1] = 0 
 dr_opt[158][2] = 0 
 dr_opt[159][0] = 0 
 dr_opt[159][1] = 0 
 dr_opt[159][2] = 0 
 n_atoms 160 dr2 0.0142426 opt_time 0.510448 opt_time_old 0.493856
   dr_max_old = 0.107179, efficiency_old = 0.774666 / cpu s
   dr_max = 0.0974359, efficiency = 0.858402 / cpu s
   dr_max = 0.0885781
   du_max = 0.0221445

Adjusting maximum size of molecule moves
 dr_opt[0][0] = 0.00107496 
 dr_opt[0][1] = 0.00826415 
 dr_opt[0][2] = 0.0428759 
 dr_opt[1][0] = -0.000771118 
 dr_opt[1][1] = 0.0476286 
 dr_opt[1][2] = 0.0639315 
 dr_opt[2][0] = -0.02697 
 dr_opt[2][1] = 0.0936659 
 dr_opt[2][2] = 0.0546637 
 dr_opt[3][0] = -0.0288163 
 dr_opt[3][1] = 0.133031 
 dr_opt[3][2] = 0.0757195 
 dr_opt[4][0] = 0 
 dr_opt[4][1] = 0 
 dr_opt[4][2] = 0 
 dr_opt[5][0] = 0 
 dr_opt[5][1] = 0 
 dr_opt[5][2] = 0 
 dr_opt[6][0] = 0 
 dr_opt[6][1] = 0 
 dr_opt[6][2] = 0 
 dr_opt[7][0] = 0 
 dr_opt[7][1] = 0 
 dr_opt[7][2] = 0 
 dr_opt[8][0] = 0 
 dr_opt[8][1] = 0 
 dr_opt[8][2] = 0 
 dr_opt[9][0] = 0 
 dr_opt[9][1] = 0 
 dr_opt[9][2] = 0 
 dr_opt[10][0] = 0 
 dr_opt[10][1] = 0 
 dr_opt[10][2] = 0 
 dr_opt[11][0] = 0 
 dr_opt[11][1] = 0 
 dr_opt[11][2] = 0 
 dr_opt[12][0] = -0.264551 
 dr_opt[12][1] = 0.089898 
 dr_opt[12][2] = -0.0761329 
 dr_opt[13][0] = -0.0993396 
 dr_opt[13][1] = 0.0927257 
 dr_opt[13][2] = -0.0968384 
 dr_opt[14][0] = 0.0249501 
 dr_opt[14][1] = 0.0960248 
 dr_opt[14][2] = -0.116505 
 dr_opt[15][0] = 0.190165 
 dr_opt[15][1] = 0.0988526 
 dr_opt[15][2] = -0.137211 
 dr_opt[16][0] = 0 
 dr_opt[16][1] = 0 
 dr_opt[16][2] = 0 
 dr_opt[17][0] = 0 
 dr_opt[17][1] = 0 
 dr_opt[17][2] = 0 
 dr_opt[18][0] = 0 
 dr_opt[18][1] = 0 
 dr_opt[18][2] = 0 
 dr_opt[19][0] = 0 
 dr_opt[19][1] = 0 
 dr_opt[19][2] = 0 
 dr_opt[20][0] = 0 
 dr_opt[20][1] = 0 
 dr_opt[20][2] = 0 
 dr_opt[21][0] = 0 
 dr_opt[21][1] = 0 
 dr_opt[21][2] = 0 
 dr_opt[22][0] = 0 
 dr_opt[22][1] = 0 
 dr_opt[22][2] = 0 
 dr_opt[23][0] = 0 
 dr_opt[23][1] = 0 
 dr_opt[23][2] = 0 
 dr_opt[24][0] = -0.00329376 
 dr_opt[24][1] = -0.0508582 
 dr_opt[24][2] = 0.0161372 
 dr_opt[25][0] = -0.038712 
 dr_opt[25][1] = -0.0447698 
 dr_opt[25][2] = 0.0179751 
 dr_opt[26][0] = -0.104174 
 dr_opt[26][1] = -0.0402454 
 dr_opt[26][2] = 0.0113888 
 dr_opt[27][0] = -0.139593 
 dr_opt[27][1] = -0.034157 
 dr_opt[27][2] = 0.0132267 
 dr_opt[28][0] = 0 
 dr_opt[28][1] = 0 
 dr_opt[28][2] = 0 
 dr_opt[29][0] = 0 
 dr_opt[29][1] = 0 
 dr_opt[29][2] = 0 
 dr_opt[30][0] = 0 
 dr_opt[30][1] = 0 
 dr_opt[30][2] = 0 
 dr_opt[31][0] = 0 
 dr_opt[31][1] = 0 
 dr_opt[31][2] = 0 
 dr_opt[32][0] = 0 
 dr_opt[32][1] = 0 
 dr_opt[32][2] = 0 
 dr_opt[33][0] = 0 
 dr_opt[33][1] = 0 
 dr_opt[33][2] = 0 
 dr_opt[34][0] = 0 
 dr_opt[34][1] = 0 
 dr_opt[34][2] = 0 
 dr_opt[35][0] = 0 
 dr_opt[35][1] = 0 
 dr_opt[35][2] = 0 
 dr_opt[36][0] = 0 
 dr_opt[36][1] = 0 
 dr_opt[36][2] = 0 
 dr_opt[37][0] = 0 
 dr_opt[37][1] = 0 
 dr_opt[37][2] = 0 
 dr_opt[38][0] = 0 
 dr_opt[38][1] = 0 
 dr_opt[38][2] = 0 
 dr_opt[39][0] = 0 
 dr_opt[39][1] = 0 
 dr_opt[39][2] = 0 
 dr_opt[40][0] = 0 
 dr_opt[40][1] = 0 
 dr_opt[40][2] = 0 
 dr_opt[41][0] = 0 
 dr_opt[41][1] = 0 
 dr_opt[41][2] = 0 
 dr_opt[42][0] = 0 
 dr_opt[42][1] = 0 
 dr_opt[42][2] = 0 
 dr_opt[43][0] = 0 
 dr_opt[43][1] = 0 
 dr_opt[43][2] = 0 
 dr_opt[44][0] = 0 
 dr_opt[44][1] = 0 
 dr_opt[44][2] = 0 
 dr_opt[45][0] = 0 
 dr_opt[45][1] = 0 
 dr_opt[45][2] = 0 
 dr_opt[46][0] = 0 
 dr_opt[46][1] = 0 
 dr_opt[46][2] = 0 
 dr_opt[47][0] = 0 
 dr_opt[47][1] = 0 
 dr_opt[47][2] = 0 
 dr_opt[48][0] = 0.110277 
 dr_opt[48][1] = -0.000668033 
 dr_opt[48][2] = -0.0318287 
 dr_opt[49][0] = 0.0619183 
 dr_opt[49][1] = 0.0274796 
 dr_opt[49][2] = -0.0294012 
 dr_opt[50][0] = 0.0559813 
 dr_opt[50][1] = 0.0534253 
 dr_opt[50][2] = -0.043814 
 dr_opt[51][0] = 0.00762315 
 dr_opt[51][1] = 0.0815729 
 dr_opt[51][2] = -0.0413865 
 dr_opt[52][0] = 0 
 dr_opt[52][1] = 0 
 dr_opt[52][2] = 0 
 dr_opt[53][0] = 0 
 dr_opt[53][1] = 0 
 dr_opt[53][2] = 0 
 dr_opt[54][0] = 0 
 dr_opt[54][1] = 0 
 dr_opt[54][2] = 0 
 dr_opt[55][0] = 0 
 dr_opt[55][1] = 0 
 dr_opt[55][2] = 0 
 dr_opt[56][0] = 0 
 dr_opt[56][1] = 0 
 dr_opt[56][2] = 0 
 dr_opt[57][0] = 0 
 dr_opt[57][1] = 0 
 dr_opt[57][2] = 0 
 dr_opt[58][0] = 0 
 dr_opt[58][1] = 0 
 dr_opt[58][2] = 0 
 dr_opt[59][0] = 0 
 dr_opt[59][1] = 0 
 dr_opt[59][2] = 0 
 dr_opt[60][0] = 0 
 dr_opt[60][1] = 0 
 dr_opt[60][2] = 0 
 dr_opt[61][0] = 0 
 dr_opt[61][1] = 0 
 dr_opt[61][2] = 0 
 dr_opt[62][0] = 0 
 dr_opt[62][1] = 0 
 dr_opt[62][2] = 0 
 dr_opt[63][0] = 0 
 dr_opt[63][1] = 0 
 dr_opt[63][2] = 0 
 dr_opt[64][0] = 0 
 dr_opt[64][1] = 0 
 dr_opt[64][2] = 0 
 dr_opt[65][0] = 0 
 dr_opt[65][1] = 0 
 dr_opt[65][2] = 0 
 dr_opt[66][0] = 0 
 dr_opt[66][1] = 0 
 dr_opt[66][2] = 0 
 dr_opt[67][0] = 0 
 dr_opt[67][1] = 0 
 dr_opt[67][2] = 0 
 dr_opt[68][0] = 0.0836468 
 dr_opt[68][1] = -0.0398866 
 dr_opt[68][2] = -0.157534 
 dr_opt[69][0] = 0.0907249 
 dr_opt[69][1] = 0.0376107 
 dr_opt[69][2] = -0.131386 
 dr_opt[70][0] = 0.112069 
 dr_opt[70][1] = 0.113367 
 dr_opt[70][2] = -0.16034 
 dr_opt[71][0] = 0.119148 
 dr_opt[71][1] = 0.190866 
 dr_opt[71][2] = -0.134192 
 dr_opt[72][0] = 0 
 dr_opt[72][1] = 0 
 dr_opt[72][2] = 0 
 dr_opt[73][0] = 0 
 dr_opt[73][1] = 0 
 dr_opt[73][2] = 0 
 dr_opt[74][0] = 0 
 dr_opt[74][1] = 0 
 dr_opt[74][2] = 0 
 dr_opt[75][0] = 0 
 dr_opt[75][1] = 0 
 dr_opt[75][2] = 0 
 dr_opt[76][0] = 0.0666058 
 dr_opt[76][1] = -0.0499757 
 dr_opt[76][2] = -0.0435467 
 dr_opt[77][0] = 0.0518917 
 dr_opt[77][1] = -0.0234329 
 dr_opt[77][2] = -0.0397051 
 dr_opt[78][0] = 0.0288448 
 dr_opt[78][1] = 0.00148218 
 dr_opt[78][2] = -0.0567874 
 dr_opt[79][0] = 0.014131 
 dr_opt[79][1] = 0.0280245 
 dr_opt[79][2] = -0.0529457 
 dr_opt[80][0] = 0 
 dr_opt[80][1] = 0 
 dr_opt[80][2] = 0 
 dr_opt[81][0] = 0 
 dr_opt[81][1] = 0 
 dr_opt[81][2] = 0 
 dr_opt[82][0] = 0 
 dr_opt[82][1] = 0 
 dr_opt[82][2] = 0 
 dr_opt[83][0] = 0 
 dr_opt[83][1] = 0 
 dr_opt[83][2] = 0 
 dr_opt[84][0] = -0.202914 
 dr_opt[84][1] = 0.00394772 
 dr_opt[84][2] = 0.0993473 
 dr_opt[85][0] = -0.08574 
 dr_opt[85][1] = -0.0563933 
 dr_opt[85][2] = 0.0803607 
 dr_opt[86][0] = 0.0259805 
 dr_opt[86][1] = -0.11048 
 dr_opt[86][2] = 0.117673 
 dr_opt[87][0] = 0.143152 
 dr_opt[87][1] = -0.17082 
 dr_opt[87][2] = 0.0986859 
 dr_opt[88][0] = 0.153561 
 dr_opt[88][1] = 0.0616831 
 dr_opt[88][2] = -0.0666404 
 dr_opt[89][0] = 0.0718311 
 dr_opt[89][1] = 0.0705555 
 dr_opt[89][2] = -0.0626979 
 dr_opt[90][0] = 0.0450387 
 dr_opt[90][1] = 0.0789567 
 dr_opt[90][2] = -0.0653613 
 dr_opt[91][0] = -0.0366924 
 dr_opt[91][1] = 0.0878293 
 dr_opt[91][2] = -0.0614188 
 dr_opt[92][0] = -0.063333 
 dr_opt[92][1] = -0.0414268 
 dr_opt[92][2] = 0.00444124 
 dr_opt[93][0] = 0.0100574 
 dr_opt[93][1] = -0.0469595 
 dr_opt[93][2] = 0.0149726 
 dr_opt[94][0] = 0.0538328 
 dr_opt[94][1] = -0.0495394 
 dr_opt[94][2] = 0.0204739 
 dr_opt[95][0] = 0.127223 
 dr_opt[95][1] = -0.0550721 
 dr_opt[95][2] = 0.0310052 
 dr_opt[96][0] = 0 
 dr_opt[96][1] = 0 
 dr_opt[96][2] = 0 
 dr_opt[97][0] = 0 
 dr_opt[97][1] = 0 
 dr_opt[97][2] = 0 
 dr_opt[98][0] = 0 
 dr_opt[98][1] = 0 
 dr_opt[98][2] = 0 
 dr_opt[99][0] = 0 
 dr_opt[99][1] = 0 
 dr_opt[99][2] = 0 
 dr_opt[100][0] = 0 
 dr_opt[100][1] = 0 
 dr_opt[100][2] = 0 
 dr_opt[101][0] = 0 
 dr_opt[101][1] = 0 
 dr_opt[101][2] = 0 
 dr_opt[102][0] = 0 
 dr_opt[102][1] = 0 
 dr_opt[102][2] = 0 
 dr_opt[103][0] = 0 
 dr_opt[103][1] = 0 
 dr_opt[103][2] = 0 
 dr_opt[104][0] = 0 
 dr_opt[104][1] = 0 
 dr_opt[104][2] = 0 
 dr_opt[105][0] = 0 
 dr_opt[105][1] = 0 
 dr_opt[105][2] = 0 
 dr_opt[106][0] = 0 
 dr_opt[106][1] = 0 
 dr_opt[106][2] = 0 
 dr_opt[107][0] = 0 
 dr_opt[107][1] = 0 
 dr_opt[107][2] = 0 
 dr_opt[108][0] = -0.111762 
 dr_opt[108][1] = 0.0175834 
 dr_opt[108][2] = -0.000172862 
 dr_opt[109][0] = -0.0912636 
 dr_opt[109][1] = 0.0293139 
 dr_opt[109][2] = 0.0062943 
 dr_opt[110][0] = -0.0442553 
 dr_opt[110][1] = 0.0418692 
 dr_opt[110][2] = 0.00682478 
 dr_opt[111][0] = -0.0237573 
 dr_opt[111][1] = 0.0535994 
 dr_opt[111][2] = 0.0132918 
 dr_opt[112][0] = 0 
 dr_opt[112][1] = 0 
 dr_opt[112][2] = 0 
 dr_opt[113][0] = 0 
 dr_opt[113][1] = 0 
 dr_opt[113][2] = 0 
 dr_opt[114][0] = 0 
 dr_opt[114][1] = 0 
 dr_opt[114][2] = 0 
 dr_opt[115][0] = 0 
 dr_opt[115][1] = 0 
 dr_opt[115][2] = 0 
 dr_opt[116][0] = 0.133645 
 dr_opt[116][1] = 0.0981341 
 dr_opt[116][2] = -0.0230807 
 dr_opt[117][0] = 0.113741 
 dr_opt[117][1] = 0.0716742 
 dr_opt[117][2] = -0.0299238 
 dr_opt[118][0] = 0.0522376 
 dr_opt[118][1] = 0.0557417 
 dr_opt[118][2] = -0.0224017 
 dr_opt[119][0] = 0.0323339 
 dr_opt[119][1] = 0.0292818 
 dr_opt[119][2] = -0.0292448 
 dr_opt[120][0] = -0.00140022 
 dr_opt[120][1] = 0.00227868 
 dr_opt[120][2] = 0.0516255 
 dr_opt[121][0] = -0.0536805 
 dr_opt[121][1] = -0.0150363 
 dr_opt[121][2] = 0.0490339 
 dr_opt[122][0] = -0.0537089 
 dr_opt[122][1] = -0.0258959 
 dr_opt[122][2] = 0.0526187 
 dr_opt[123][0] = -0.10599 
 dr_opt[123][1] = -0.0432112 
 dr_opt[123][2] = 0.0500271 
 dr_opt[124][0] = 0 
 dr_opt[124][1] = 0 
 dr_opt[124][2] = 0 
 dr_opt[125][0] = 0 
 dr_opt[125][1] = 0 
 dr_opt[125][2] = 0 
 dr_opt[126][0] = 0 
 dr_opt[126][1] = 0 
 dr_opt[126][2] = 0 
 dr_opt[127][0] = 0 
 dr_opt[127][1] = 0 
 dr_opt[127][2] = 0 
 dr_opt[128][0] = -0.233181 
 dr_opt[128][1] = -0.164549 
 dr_opt[128][2] = 0.102187 
 dr_opt[129][0] = -0.149373 
 dr_opt[129][1] = -0.126194 
 dr_opt[129][2] = 0.120118 
 dr_opt[130][0] = -0.0759269 
 dr_opt[130][1] = -0.0881012 
 dr_opt[130][2] = 0.112087 
 dr_opt[131][0] = 0.00788041 
 dr_opt[131][1] = -0.0497457 
 dr_opt[131][2] = 0.130018 
 dr_opt[132][0] = -0.166219 
 dr_opt[132][1] = 0.027493 
 dr_opt[132][2] = -0.0500903 
 dr_opt[133][0] = -0.091394 
 dr_opt[133][1] = 0.0246935 
 dr_opt[133][2] = -0.0579826 
 dr_opt[134][0] = -0.052318 
 dr_opt[134][1] = 0.0215849 
 dr_opt[134][2] = -0.0598153 
 dr_opt[135][0] = 0.0225085 
 dr_opt[135][1] = 0.0187854 
 dr_opt[135][2] = -0.0677076 
 dr_opt[136][0] = -0.0152053 
 dr_opt[136][1] = 0.0109419 
 dr_opt[136][2] = -0.000903755 
 dr_opt[137][0] = 0.0399461 
 dr_opt[137][1] = -0.00761713 
 dr_opt[137][2] = -0.00513257 
 dr_opt[138][0] = 0.111759 
 dr_opt[138][1] = -0.0237631 
 dr_opt[138][2] = 0.00665552 
 dr_opt[139][0] = 0.16691 
 dr_opt[139][1] = -0.0423221 
 dr_opt[139][2] = 0.00242671 
 dr_opt[140][0] = -0.14716 
 dr_opt[140][1] = -0.0298424 
 dr_opt[140][2] = 0.0996101 
 dr_opt[141][0] = -0.075622 
 dr_opt[141][1] = -0.00630559 
 dr_opt[141][2] = 0.102751 
 dr_opt[142][0] = -0.00670986 
 dr_opt[142][1] = 0.0157154 
 dr_opt[142][2] = 0.0897916 
 dr_opt[143][0] = 0.0648281 
 dr_opt[143][1] = 0.0392522 
 dr_opt[143][2] = 0.0929321 
 dr_opt[144][0] = 0 
 dr_opt[144][1] = 0 
 dr_opt[144][2] = 0 
 dr_opt[145][0] = 0 
 dr_opt[145][1] = 0 
 dr_opt[145][2] = 0 
 dr_opt[146][0] = 0 
 dr_opt[146][1] = 0 
 dr_opt[146][2] = 0 
 dr_opt[147][0] = 0 
 dr_opt[147][1] = 0 
 dr_opt[147][2] = 0 
 dr_opt[148][0] = 0 
 dr_opt[148][1] = 0 
 dr_opt[148][2] = 0 
 dr_opt[149][0] = 0 
 dr_opt[149][1] = 0 
 dr_opt[149][2] = 0 
 dr_opt[150][0] = 0 
 dr_opt[150][1] = 0 
 dr_opt[150][2] = 0 
 dr_opt[151][0] = 0 
 dr_opt[151][1] = 0 
 dr_opt[151][2] = 0 
 dr_opt[152][0] = -0.262331 
 dr_opt[152][1] = 0.137739 
 dr_opt[152][2] = 0.0343565 
 dr_opt[153][0] = -0.167974 
 dr_opt[153][1] = 0.0183556 
 dr_opt[153][2] = -0.0115936 
 dr_opt[154][0] = -0.0722244 
 dr_opt[154][1] = -0.106802 
 dr_opt[154][2] = 0.0158558 
 dr_opt[155][0] = 0.0221304 
 dr_opt[155][1] = -0.226183 
 dr_opt[155][2] = -0.030094 
 dr_opt[156][0] = 0 
 dr_opt[156][1] = 0 
 dr_opt[156][2] = 0 
 dr_opt[157][0] = 0 
 dr_opt[157][1] = 0 
 dr_opt[157][2] = 0 
 dr_opt[158][0] = 0 
 dr_opt[158][1] = 0 
 dr_opt[158][2] = 0 
 dr_opt[159][0] = 0 
 dr_opt[159][1] = 0 
 dr_opt[159][2] = 0 
 n_atoms 160 dr2 0.00903589 opt_time 0.526064 opt_time_old 0.510448
   dr_max_old = 0.0974359, efficiency_old = 0.858402 / cpu s
   dr_max = 0.0885781, efficiency = 0.57863 / cpu s
   dr_max = 0.0974359
   du_max = 0.024359

Adjusting maximum size of molecule moves
 dr_opt[0][0] = 0.233079 
 dr_opt[0][1] = -0.266893 
 dr_opt[0][2] = -0.163913 
 dr_opt[1][0] = 0.133615 
 dr_opt[1][1] = -0.183285 
 dr_opt[1][2] = -0.131263 
 dr_opt[2][0] = -0.0920194 
 dr_opt[2][1] = -0.0878538 
 dr_opt[2][2] = -0.167657 
 dr_opt[3][0] = -0.191487 
 dr_opt[3][1] = -0.0042445 
 dr_opt[3][2] = -0.135007 
 dr_opt[4][0] = 0 
 dr_opt[4][1] = 0 
 dr_opt[4][2] = 0 
 dr_opt[5][0] = 0 
 dr_opt[5][1] = 0 
 dr_opt[5][2] = 0 
 dr_opt[6][0] = 0 
 dr_opt[6][1] = 0 
 dr_opt[6][2] = 0 
 dr_opt[7][0] = 0 
 dr_opt[7][1] = 0 
 dr_opt[7][2] = 0 
 dr_opt[8][0] = 0.00206512 
 dr_opt[8][1] = -0.0646113 
 dr_opt[8][2] = 0.0207214 
 dr_opt[9][0] = -0.0176151 
 dr_opt[9][1] = -0.0129566 
 dr_opt[9][2] = 0.0332881 
 dr_opt[10][0] = -0.019391 
 dr_opt[10][1] = 0.0350911 
 dr_opt[10][2] = 0.0103214 
 dr_opt[11][0] = -0.0390711 
 dr_opt[11][1] = 0.0867447 
 dr_opt[11][2] = 0.0228884 
 dr_opt[12][0] = 0 
 dr_opt[12][1] = 0 
 dr_opt[12][2] = 0 
 dr_opt[13][0] = 0 
 dr_opt[13][1] = 0 
 dr_opt[13][2] = 0 
 dr_opt[14][0] = 0 
 dr_opt[14][1] = 0 
 dr_opt[14][2] = 0 
 dr_opt[15][0] = 0 
 dr_opt[15][1] = 0 
 dr_opt[15][2] = 0 
 dr_opt[16][0] = 0 
 dr_opt[16][1] = 0 
 dr_opt[16][2] = 0 
 dr_opt[17][0] = 0 
 dr_opt[17][1] = 0 
 dr_opt[17][2] = 0 
 dr_opt[18][0] = 0 
 dr_opt[18][1] = 0 
 dr_opt[18][2] = 0 
 dr_opt[19][0] = 0 
 dr_opt[19][1] = 0 
 dr_opt[19][2] = 0 
 dr_opt[20][0] = 0 
 dr_opt[20][1] = 0 
 dr_opt[20][2] = 0 
 dr_opt[21][0] = 0 
 dr_opt[21][1] = 0 
 dr_opt[21][2] = 0 
 dr_opt[22][0] = 0 
 dr_opt[22][1] = 0 
 dr_opt[22][2] = 0 
 dr_opt[23][0] = 0 
 dr_opt[23][1] = 0 
 dr_opt[23][2] = 0 
 dr_opt[24][0] = 0.0672779 
 dr_opt[24][1] = 0.0159364 
 dr_opt[24][2] = 0.0419121 
 dr_opt[25][0] = 0.00897177 
 dr_opt[25][1] = 0.00887971 
 dr_opt[25][2] = 0.0352852 
 dr_opt[26][0] = -0.0277945 
 dr_opt[26][1] = 0.00319897 
 dr_opt[26][2] = 0.0327309 
 dr_opt[27][0] = -0.0861004 
 dr_opt[27][1] = -0.00385773 
 dr_opt[27][2] = 0.026104 
 dr_opt[28][0] = -0.0604686 
 dr_opt[28][1] = 0.193898 
 dr_opt[28][2] = -0.064085 
 dr_opt[29][0] = -0.029998 
 dr_opt[29][1] = 0.123221 
 dr_opt[29][2] = -0.0828519 
 dr_opt[30][0] = 0.00645695 
 dr_opt[30][1] = 0.0590333 
 dr_opt[30][2] = -0.0542848 
 dr_opt[31][0] = 0.0369276 
 dr_opt[31][1] = -0.011644 
 dr_opt[31][2] = -0.0730517 
 dr_opt[32][0] = -0.0764359 
 dr_opt[32][1] = -0.00967148 
 dr_opt[32][2] = 0.0515378 
 dr_opt[33][0] = -0.0882406 
 dr_opt[33][1] = 0.0247167 
 dr_opt[33][2] = 0.0642312 
 dr_opt[34][0] = -0.054225 
 dr_opt[34][1] = 0.0568995 
 dr_opt[34][2] = 0.0560644 
 dr_opt[35][0] = -0.0660295 
 dr_opt[35][1] = 0.0912884 
 dr_opt[35][2] = 0.0687579 
 dr_opt[36][0] = 0 
 dr_opt[36][1] = 0 
 dr_opt[36][2] = 0 
 dr_opt[37][0] = 0 
 dr_opt[37][1] = 0 
 dr_opt[37][2] = 0 
 dr_opt[38][0] = 0 
 dr_opt[38][1] = 0 
 dr_opt[38][2] = 0 
 dr_opt[39][0] = 0 
 dr_opt[39][1] = 0 
 dr_opt[39][2] = 0 
 dr_opt[40][0] = 0 
 dr_opt[40][1] = 0 
 dr_opt[40][2] = 0 
 dr_opt[41][0] = 0 
 dr_opt[41][1] = 0 
 dr_opt[41][2] = 0 
 dr_opt[42][0] = 0 
 dr_opt[42][1] = 0 
 dr_opt[42][2] = 0 
 dr_opt[43][0] = 0 
 dr_opt[43][1] = 0 
 dr_opt[43][2] = 0 
 dr_opt[44][0] = 0 
 dr_opt[44][1] = 0 
 dr_opt[44][2] = 0 
 dr_opt[45][0] = 0 
 dr_opt[45][1] = 0 
 dr_opt[45][2] = 0 
 dr_opt[46][0] = 0 
 dr_opt[46][1] = 0 
 dr_opt[46][2] = 0 
 dr_opt[47][0] = 0 
 dr_opt[47][1] = 0 
 dr_opt[47][2] = 0 
 dr_opt[48][0] = 0.0309152 
 dr_opt[48][1] = 0.0498817 
 dr_opt[48][2] = 0.0766531 
 dr_opt[49][0] = -0.0545247 
 dr_opt[49][1] = -0.0104679 
 dr_opt[49][2] = 0.0541882 
 dr_opt[50][0] = -0.137088 
 dr_opt[50][1] = -0.0651932 
 dr_opt[50][2] = 0.0740048 
 dr_opt[51][0] = -0.222528 
 dr_opt[51][1] = -0.125543 
 dr_opt[51][2] = 0.0515398 
 dr_opt[52][0] = -0.0255957 
 dr_opt[52][1] = 0.0358437 
 dr_opt[52][2] = 0.0334852 
 dr_opt[53][0] = -0.0646167 
 dr_opt[53][1] = -0.0169399 
 dr_opt[53][2] = 0.0123146 
 dr_opt[54][0] = -0.089682 
 dr_opt[54][1] = -0.0693708 
 dr_opt[54][2] = 0.0291264 
 dr_opt[55][0] = -0.128702 
 dr_opt[55][1] = -0.122153 
 dr_opt[55][2] = 0.00795594 
 dr_opt[56][0] = 0 
 dr_opt[56][1] = 0 
 dr_opt[56][2] = 0 
 dr_opt[57][0] = 0 
 dr_opt[57][1] = 0 
 dr_opt[57][2] = 0 
 dr_opt[58][0] = 0 
 dr_opt[58][1] = 0 
 dr_opt[58][2] = 0 
 dr_opt[59][0] = 0 
 dr_opt[59][1] = 0 
 dr_opt[59][2] = 0 
 dr_opt[60][0] = 0.350487 
 dr_opt[60][1] = 0.31556 
 dr_opt[60][2] = -0.0976222 
 dr_opt[61][0] = 0.216737 
 dr_opt[61][1] = 0.272059 
 dr_opt[61][2] = -0.122233 
 dr_opt[62][0] = 0.10599 
 dr_opt[62][1] = 0.231593 
 dr_opt[62][2] = -0.114505 
 dr_opt[63][0] = -0.0277567 
 dr_opt[63][1] = 0.188093 
 dr_opt[63][2] = -0.139115 
 dr_opt[64][0] = 0.104654 
 dr_opt[64][1] = 0.0123274 
 dr_opt[64][2] = -0.0792273 
 dr_opt[65][0] = 0.0696324 
 dr_opt[65][1] = 0.0498816 
 dr_opt[65][2] = -0.07452 
 dr_opt[66][0] = -0.0259081 
 dr_opt[66][1] = 0.0868676 
 dr_opt[66][2] = -0.103681 
 dr_opt[67][0] = -0.0609311 
 dr_opt[67][1] = 0.124423 
 dr_opt[67][2] = -0.0989736 
 dr_opt[68][0] = -0.0791266 
 dr_opt[68][1] = -0.0252975 
 dr_opt[68][2] = -0.0965096 
 dr_opt[69][0] = -0.0161922 
 dr_opt[69][1] = -0.0279825 
 dr_opt[69][2] = -0.0945082 
 dr_opt[70][0] = 0.0599925 
 dr_opt[70][1] = -0.0308636 
 dr_opt[70][2] = -0.0909095 
 dr_opt[71][0] = 0.122928 
 dr_opt[71][1] = -0.0335487 
 dr_opt[71][2] = -0.088908 
 dr_opt[72][0] = -0.0916153 
 dr_opt[72][1] = -0.0205051 
 dr_opt[72][2] = -0.0752936 
 dr_opt[73][0] = -0.0650669 
 dr_opt[73][1] = -0.0406438 
 dr_opt[73][2] = -0.0810679 
 dr_opt[74][0] = -0.072753 
 dr_opt[74][1] = -0.0576117 
 dr_opt[74][2] = -0.0735325 
 dr_opt[75][0] = -0.0462045 
 dr_opt[75][1] = -0.0777504 
 dr_opt[75][2] = -0.0793069 
 dr_opt[76][0] = 0.136472 
 dr_opt[76][1] = -0.0371591 
 dr_opt[76][2] = 0.0140223 
 dr_opt[77][0] = 0.0783712 
 dr_opt[77][1] = -0.0779702 
 dr_opt[77][2] = -0.0114052 
 dr_opt[78][0] = -0.0251872 
 dr_opt[78][1] = -0.116839 
 dr_opt[78][2] = -0.0191416 
 dr_opt[79][0] = -0.0832861 
 dr_opt[79][1] = -0.157649 
 dr_opt[79][2] = -0.0445687 
 dr_opt[80][0] = -0.119318 
 dr_opt[80][1] = 0.0399857 
 dr_opt[80][2] = -0.0155871 
 dr_opt[81][0] = -0.0486474 
 dr_opt[81][1] = 0.022874 
 dr_opt[81][2] = -0.0205961 
 dr_opt[82][0] = -0.032544 
 dr_opt[82][1] = -0.0158926 
 dr_opt[82][2] = -0.00546837 
 dr_opt[83][0] = 0.0381262 
 dr_opt[83][1] = -0.0330045 
 dr_opt[83][2] = -0.0104772 
 dr_opt[84][0] = 0 
 dr_opt[84][1] = 0 
 dr_opt[84][2] = 0 
 dr_opt[85][0] = 0 
 dr_opt[85][1] = 0 
 dr_opt[85][2] = 0 
 dr_opt[86][0] = 0 
 dr_opt[86][1] = 0 
 dr_opt[86][2] = 0 
 dr_opt[87][0] = 0 
 dr_opt[87][1] = 0 
 dr_opt[87][2] = 0 
 dr_opt[88][0] = 0.0327204 
 dr_opt[88][1] = -0.18332 
 dr_opt[88][2] = -0.0531004 
 dr_opt[89][0] = -0.0417967 
 dr_opt[89][1] = -0.124842 
 dr_opt[89][2] = -0.0354642 
 dr_opt[90][0] = -0.101734 
 dr_opt[90][1] = -0.0675726 
 dr_opt[90][2] = -0.0579998 
 dr_opt[91][0] = -0.176253 
 dr_opt[91][1] = -0.00909374 
 dr_opt[91][2] = -0.0403638 
 dr_opt[92][0] = -0.112065 
 dr_opt[92][1] = -0.125023 
 dr_opt[92][2] = -0.0057959 
 dr_opt[93][0] = -0.101715 
 dr_opt[93][1] = -0.0396245 
 dr_opt[93][2] = 0.0384616 
 dr_opt[94][0] = -0.0426857 
 dr_opt[94][1] = 0.0491853 
 dr_opt[94][2] = 0.0220722 
 dr_opt[95][0] = -0.0323348 
 dr_opt[95][1] = 0.134584 
 dr_opt[95][2] = 0.0663293 
 dr_opt[96][0] = 0.146349 
 dr_opt[96][1] = -0.0862352 
 dr_opt[96][2] = 0.0980471 
 dr_opt[97][0] = 0.0527642 
 dr_opt[97][1] = -0.0453134 
 dr_opt[97][2] = 0.115938 
 dr_opt[98][0] = -0.0571562 
 dr_opt[98][1] = -0.00487317 
 dr_opt[98][2] = 0.112641 
 dr_opt[99][0] = -0.150739 
 dr_opt[99][1] = 0.0360478 
 dr_opt[99][2] = 0.130531 
 dr_opt[100][0] = 0 
 dr_opt[100][1] = 0 
 dr_opt[100][2] = 0 
 dr_opt[101][0] = 0 
 dr_opt[101][1] = 0 
 dr_opt[101][2] = 0 
 dr_opt[102][0] = 0 
 dr_opt[102][1] = 0 
 dr_opt[102][2] = 0 
 dr_opt[103][0] = 0 
 dr_opt[103][1] = 0 
 dr_opt[103][2] = 0 
 dr_opt[104][0] = -0.0715652 
 dr_opt[104][1] = 0.047416 
 dr_opt[104][2] = -0.00986243 
 dr_opt[105][0] = -0.0650382 
 dr_opt[105][1] = 0.0281766 
 dr_opt[105][2] = -0.0157877 
 dr_opt[106][0] = -0.0779051 
 dr_opt[106][1] = 0.0082343 
 dr_opt[106][2] = -0.00729201 
 dr_opt[107][0] = -0.0713781 
 dr_opt[107][1] = -0.0110052 
 dr_opt[107][2] = -0.0132173 
 dr_opt[108][0] = 0 
 dr_opt[108][1] = 0 
 dr_opt[108][2] = 0 
 dr_opt[109][0] = 0 
 dr_opt[109][1] = 0 
 dr_opt[109][2] = 0 
 dr_opt[110][0] = 0 
 dr_opt[110][1] = 0 
 dr_opt[110][2] = 0 
 dr_opt[111][0] = 0 
 dr_opt[111][1] = 0 
 dr_opt[111][2] = 0 
 dr_opt[112][0] = -0.0145058 
 dr_opt[112][1] = 0.152319 
 dr_opt[112][2] = -0.00327716 
 dr_opt[113][0] = 0.0534062 
 dr_opt[113][1] = 0.0803528 
 dr_opt[113][2] = -0.0227384 
 dr_opt[114][0] = 0.100044 
 dr_opt[114][1] = 0.0121686 
 dr_opt[114][2] = 0.0104828 
 dr_opt[115][0] = 0.167956 
 dr_opt[115][1] = -0.0597976 
 dr_opt[115][2] = -0.00897845 
 dr_opt[116][0] = 0 
 dr_opt[116][1] = 0 
 dr_opt[116][2] = 0 
 dr_opt[117][0] = 0 
 dr_opt[117][1] = 0 
 dr_opt[117][2] = 0 
 dr_opt[118][0] = 0 
 dr_opt[118][1] = 0 
 dr_opt[118][2] = 0 
 dr_opt[119][0] = 0 
 dr_opt[119][1] = 0 
 dr_opt[119][2] = 0 
 dr_opt[120][0] = 0 
 dr_opt[120][1] = 0 
 dr_opt[120][2] = 0 
 dr_opt[121][0] = 0 
 dr_opt[121][1] = 0 
 dr_opt[121][2] = 0 
 dr_opt[122][0] = 0 
 dr_opt[122][1] = 0 
 dr_opt[122][2] = 0 
 dr_opt[123][0] = 0 
 dr_opt[123][1] = 0 
 dr_opt[123][2] = 0 
 dr_opt[124][0] = -0.128807 
 dr_opt[124][1] = 0.14168 
 dr_opt[124][2] = -0.0463406 
 dr_opt[125][0] = -0.072065 
 dr_opt[125][1] = 0.10433 
 dr_opt[125][2] = -0.0601326 
 dr_opt[126][0] = -0.0239282 
 dr_opt[126][1] = 0.0679782 
 dr_opt[126][2] = -0.0447412 
 dr_opt[127][0] = 0.0328136 
 dr_opt[127][1] = 0.030628 
 dr_opt[127][2] = -0.0585333 
 dr_opt[128][0] = 0 
 dr_opt[128][1] = 0 
 dr_opt[128][2] = 0 
 dr_opt[129][0] = 0 
 dr_opt[129][1] = 0 
 dr_opt[129][2] = 0 
 dr_opt[130][0] = 0 
 dr_opt[130][1] = 0 
 dr_opt[130][2] = 0 
 dr_opt[131][0] = 0 
 dr_opt[131][1] = 0 
 dr_opt[131][2] = 0 
 dr_opt[132][0] = -0.0588011 
 dr_opt[132][1] = -0.220289 
 dr_opt[132][2] = 0.165994 
 dr_opt[133][0] = -0.00277172 
 dr_opt[133][1] = -0.182355 
 dr_opt[133][2] = 0.168616 
 dr_opt[134][0] = 0.122363 
 dr_opt[134][1] = -0.147133 
 dr_opt[134][2] = 0.135294 
 dr_opt[135][0] = 0.178395 
 dr_opt[135][1] = -0.109198 
 dr_opt[135][2] = 0.137916 
 dr_opt[136][0] = 0 
 dr_opt[136][1] = 0 
 dr_opt[136][2] = 0 
 dr_opt[137][0] = 0 
 dr_opt[137][1] = 0 
 dr_opt[137][2] = 0 
 dr_opt[138][0] = 0 
 dr_opt[138][1] = 0 
 dr_opt[138][2] = 0 
 dr_opt[139][0] = 0 
 dr_opt[139][1] = 0 
 dr_opt[139][2] = 0 
 dr_opt[140][0] = 0 
 dr_opt[140][1] = 0 
 dr_opt[140][2] = 0 
 dr_opt[141][0] = 0 
 dr_opt[141][1] = 0 
 dr_opt[141][2] = 0 
 dr_opt[142][0] = 0 
 dr_opt[142][1] = 0 
 dr_opt[142][2] = 0 
 dr_opt[143][0] = 0 
 dr_opt[143][1] = 0 
 dr_opt[143][2] = 0 
 dr_opt[144][0] = 0 
 dr_opt[144][1] = 0 
 dr_opt[144][2] = 0 
 dr_opt[145][0] = 0 
 dr_opt[145][1] = 0 
 dr_opt[145][2] = 0 
 dr_opt[146][0] = 0 
 dr_opt[146][1] = 0 
 dr_opt[146][2] = 0 
 dr_opt[147][0] = 0 
 dr_opt[147][1] = 0 
 dr_opt[147][2] = 0 
 dr_opt[148][0] = 0 
 dr_opt[148][1] = 0 
 dr_opt[148][2] = 0 
 dr_opt[149][0] = 0 
 dr_opt[149][1] = 0 
 dr_opt[149][2] = 0 
 dr_opt[150][0] = 0 
 dr_opt[150][1] = 0 
 dr_opt[150][2] = 0 
 dr_opt[151][0] = 0 
 dr_opt[151][1] = 0 
 dr_opt[151][2] = 0 
 dr_opt[152][0] = -0.0831958 
 dr_opt[152][1] = 0.001031 
 dr_opt[152][2] = 0.0183221 
 dr_opt[153][0] = -0.0543882 
 dr_opt[153][1] = -0.0205211 
 dr_opt[153][2] = 0.00895153 
 dr_opt[154][0] = -0.0288811 
 dr_opt[154][1] = -0.0426743 
 dr_opt[154][2] = 0.0115194 
 dr_opt[155][0] = -7.4054e-05 
 dr_opt[155][1] = -0.064226 
 dr_opt[155][2] = 0.00214893 
 dr_opt[156][0] = -0.017658 
 dr_opt[156][1] = -0.0985171 
 dr_opt[156][2] = -0.0412091 
 dr_opt[157][0] = -0.086736 
 dr_opt[157][1] = -0.0794632 
 dr_opt[157][2] = -0.0430519 
 dr_opt[158][0] = -0.127198 
 dr_opt[158][1] = -0.060653 
 dr_opt[158][2] = -0.0614118 
 dr_opt[159][0] = -0.196276 
 dr_opt[159][1] = -0.0415991 
 dr_opt[159][2] = -0.0632546 
 n_atoms 160 dr2 0.0142873 opt_time 0.54168 opt_time_old 0.526064
   dr_max_old = 0.0885781, efficiency_old = 0.57863 / cpu s
   dr_max = 0.0974359, efficiency = 0.914912 / cpu s
   dr_max = 0.107179
   du_max = 0.0267949

Adjusting maximum size of molecule moves
 dr_opt[0][0] = 0 
 dr_opt[0][1] = 0 
 dr_opt[0][2] = 0 
 dr_opt[1][0] = 0 
 dr_opt[1][1] = 0 
 dr_opt[1][2] = 0 
 dr_opt[2][0] = 0 
 dr_opt[2][1] = 0 
 dr_opt[2][2] = 0 
 dr_opt[3][0] = 0 
 dr_opt[3][1] = 0 
 dr_opt[3][2] = 0 
 dr_opt[4][0] = 0 
 dr_opt[4][1] = 0 
 dr_opt[4][2] = 0 
 dr_opt[5][0] = 0 
 dr_opt[5][1] = 0 
 dr_opt[5][2] = 0 
 dr_opt[6][0] = 0 
 dr_opt[6][1] = 0 
 dr_opt[6][2] = 0 
 dr_opt[7][0] = 0 
 dr_opt[7][1] = 0 
 dr_opt[7][2] = 0 
 dr_opt[8][0] = 0 
 dr_opt[8][1] = 0 
 dr_opt[8][2] = 0 
 dr_opt[9][0] = 0 
 dr_opt[9][1] = 0 
 dr_opt[9][2] = 0 
 dr_opt[10][0] = 0 
 dr_opt[10][1] = 0 
 dr_opt[10][2] = 0 
 dr_opt[11][0] = 0 
 dr_opt[11][1] = 0 
 dr_opt[11][2] = 0 
 dr_opt[12][0] = -0.0910229 
 dr_opt[12][1] = 0.141582 
 dr_opt[12][2] = 0.0123985 
 dr_opt[13][0] = -0.0358594 
 dr_opt[13][1] = 0.113136 
 dr_opt[13][2] = -0.00603521 
 dr_opt[14][0] = 0.0857069 
 dr_opt[14][1] = 0.0839506 
 dr_opt[14][2] = -0.0186748 
 dr_opt[15][0] = 0.140872 
 dr_opt[15][1] = 0.0555039 
 dr_opt[15][2] = -0.0371088 
 dr_opt[16][0] = -0.135174 
 dr_opt[16][1] = -0.0234814 
 dr_opt[16][2] = -0.109285 
 dr_opt[17][0] = -0.122659 
 dr_opt[17][1] = 0.0281351 
 dr_opt[17][2] = -0.0952443 
 dr_opt[18][0] = -0.0813427 
 dr_opt[18][1] = 0.0767468 
 dr_opt[18][2] = -0.118535 
 dr_opt[19][0] = -0.068827 
 dr_opt[19][1] = 0.128364 
 dr_opt[19][2] = -0.104495 
 dr_opt[20][0] = 0.186788 
 dr_opt[20][1] = 0.0756343 
 dr_opt[20][2] = 0.00804396 
 dr_opt[21][0] = 0.106709 
 dr_opt[21][1] = -0.00708501 
 dr_opt[21][2] = -0.0202538 
 dr_opt[22][0] = 0.0974747 
 dr_opt[22][1] = -0.0838531 
 dr_opt[22][2] = 0.00982091 
 dr_opt[23][0] = 0.0173967 
 dr_opt[23][1] = -0.166572 
 dr_opt[23][2] = -0.0184764 
 dr_opt[24][0] = -0.0138563 
 dr_opt[24][1] = 0.413714 
 dr_opt[24][2] = 0.011862 
 dr_opt[25][0] = 0.185772 
 dr_opt[25][1] = 0.21968 
 dr_opt[25][2] = -0.0912715 
 dr_opt[26][0] = 0.369878 
 dr_opt[26][1] = 0.000216471 
 dr_opt[26][2] = -0.0349501 
 dr_opt[27][0] = 0.569506 
 dr_opt[27][1] = -0.193818 
 dr_opt[27][2] = -0.138082 
 dr_opt[28][0] = 0 
 dr_opt[28][1] = 0 
 dr_opt[28][2] = 0 
 dr_opt[29][0] = 0 
 dr_opt[29][1] = 0 
 dr_opt[29][2] = 0 
 dr_opt[30][0] = 0 
 dr_opt[30][1] = 0 
 dr_opt[30][2] = 0 
 dr_opt[31][0] = 0 
 dr_opt[31][1] = 0 
 dr_opt[31][2] = 0 
 dr_opt[32][0] = 0 
 dr_opt[32][1] = 0 
 dr_opt[32][2] = 0 
 dr_opt[33][0] = 0 
 dr_opt[33][1] = 0 
 dr_opt[33][2] = 0 
 dr_opt[34][0] = 0 
 dr_opt[34][1] = 0 
 dr_opt[34][2] = 0 
 dr_opt[35][0] = 0 
 dr_opt[35][1] = 0 
 dr_opt[35][2] = 0 
 dr_opt[36][0] = 0.06748 
 dr_opt[36][1] = 0.0205077 
 dr_opt[36][2] = -0.0735523 
 dr_opt[37][0] = 0.0421093 
 dr_opt[37][1] = -0.0576575 
 dr_opt[37][2] = -0.110312 
 dr_opt[38][0] = 0.110442 
 dr_opt[38][1] = -0.136895 
 dr_opt[38][2] = -0.0824767 
 dr_opt[39][0] = 0.0850707 
 dr_opt[39][1] = -0.215062 
 dr_opt[39][2] = -0.119237 
 dr_opt[40][0] = 0 
 dr_opt[40][1] = 0 
 dr_opt[40][2] = 0 
 dr_opt[41][0] = 0 
 dr_opt[41][1] = 0 
 dr_opt[41][2] = 0 
 dr_opt[42][0] = 0 
 dr_opt[42][1] = 0 
 dr_opt[42][2] = 0 
 dr_opt[43][0] = 0 
 dr_opt[43][1] = 0 
 dr_opt[43][2] = 0 
 dr_opt[44][0] = 0 
 dr_opt[44][1] = 0 
 dr_opt[44][2] = 0 
 dr_opt[45][0] = 0 
 dr_opt[45][1] = 0 
 dr_opt[45][2] = 0 
 dr_opt[46][0] = 0 
 dr_opt[46][1] = 0 
 dr_opt[46][2] = 0 
 dr_opt[47][0] = 0 
 dr_opt[47][1] = 0 
 dr_opt[47][2] = 0 
 dr_opt[48][0] = 0 
 dr_opt[48][1] = 0 
 dr_opt[48][2] = 0 
 dr_opt[49][0] = 0 
 dr_opt[49][1] = 0 
 dr_opt[49][2] = 0 
 dr_opt[50][0] = 0 
 dr_opt[50][1] = 0 
 dr_opt[50][2] = 0 
 dr_opt[51][0] = 0 
 dr_opt[51][1] = 0 
 dr_opt[51][2] = 0 
 dr_opt[52][0] = 0 
 dr_opt[52][1] = 0 
 dr_opt[52][2] = 0 
 dr_opt[53][0] = 0 
 dr_opt[53][1] = 0 
 dr_opt[53][2] = 0 
 dr_opt[54][0] = 0 
 dr_opt[54][1] = 0 
 dr_opt[54][2] = 0 
 dr_opt[55][0] = 0 
 dr_opt[55][1] = 0 
 dr_opt[55][2] = 0 
 dr_opt[56][0] = -0.147592 
 dr_opt[56][1] = 0.0421132 
 dr_opt[56][2] = -0.058777 
 dr_opt[57][0] = -0.135145 
 dr_opt[57][1] = 0.0465971 
 dr_opt[57][2] = -0.0571248 
 dr_opt[58][0] = -0.101448 
 dr_opt[58][1] = 0.0500355 
 dr_opt[58][2] = -0.0582748 
 dr_opt[59][0] = -0.0890009 
 dr_opt[59][1] = 0.0545194 
 dr_opt[59][2] = -0.0566225 
 dr_opt[60][0] = -0.129438 
 dr_opt[60][1] = 0.0766137 
 dr_opt[60][2] = 0.0856181 
 dr_opt[61][0] = -0.135535 
 dr_opt[61][1] = -0.00108652 
 dr_opt[61][2] = 0.0617278 
 dr_opt[62][0] = -0.0704374 
 dr_opt[62][1] = -0.0775128 
 dr_opt[62][2] = 0.102876 
 dr_opt[63][0] = -0.0765344 
 dr_opt[63][1] = -0.155211 
 dr_opt[63][2] = 0.0789857 
 dr_opt[64][0] = 0 
 dr_opt[64][1] = 0 
 dr_opt[64][2] = 0 
 dr_opt[65][0] = 0 
 dr_opt[65][1] = 0 
 dr_opt[65][2] = 0 
 dr_opt[66][0] = 0 
 dr_opt[66][1] = 0 
 dr_opt[66][2] = 0 
 dr_opt[67][0] = 0 
 dr_opt[67][1] = 0 
 dr_opt[67][2] = 0 
 dr_opt[68][0] = 0.0742085 
 dr_opt[68][1] = 0.033968 
 dr_opt[68][2] = -0.0639242 
 dr_opt[69][0] = -0.0174191 
 dr_opt[69][1] = 0.0719183 
 dr_opt[69][2] = -0.0573552 
 dr_opt[70][0] = -0.071051 
 dr_opt[70][1] = 0.107069 
 dr_opt[70][2] = -0.073867 
 dr_opt[71][0] = -0.16268 
 dr_opt[71][1] = 0.14502 
 dr_opt[71][2] = -0.0672982 
 dr_opt[72][0] = 0 
 dr_opt[72][1] = 0 
 dr_opt[72][2] = 0 
 dr_opt[73][0] = 0 
 dr_opt[73][1] = 0 
 dr_opt[73][2] = 0 
 dr_opt[74][0] = 0 
 dr_opt[74][1] = 0 
 dr_opt[74][2] = 0 
 dr_opt[75][0] = 0 
 dr_opt[75][1] = 0 
 dr_opt[75][2] = 0 
 dr_opt[76][0] = 0 
 dr_opt[76][1] = 0 
 dr_opt[76][2] = 0 
 dr_opt[77][0] = 0 
 dr_opt[77][1] = 0 
 dr_opt[77][2] = 0 
 dr_opt[78][0] = 0 
 dr_opt[78][1] = 0 
 dr_opt[78][2] = 0 
 dr_opt[79][0] = 0 
 dr_opt[79][1] = 0 
 dr_opt[79][2] = 0 
 dr_opt[80][0] = 0 
 dr_opt[80][1] = 0 
 dr_opt[80][2] = 0 
 dr_opt[81][0] = 0 
 dr_opt[81][1] = 0 
 dr_opt[81][2] = 0 
 dr_opt[82][0] = 0 
 dr_opt[82][1] = 0 
 dr_opt[82][2] = 0 
 dr_opt[83][0] = 0 
 dr_opt[83][1] = 0 
 dr_opt[83][2] = 0 
 dr_opt[84][0] = -0.0358784 
 dr_opt[84][1] = -0.116684 
 dr_opt[84][2] = -0.0379423 
 dr_opt[85][0] = -0.0111124 
 dr_opt[85][1] = -0.0557276 
 dr_opt[85][2] = -0.0265236 
 dr_opt[86][0] = 0.0106498 
 dr_opt[86][1] = -6.53152e-05 
 dr_opt[86][2] = -0.0536172 
 dr_opt[87][0] = 0.0354153 
 dr_opt[87][1] = 0.0608898 
 dr_opt[87][2] = -0.0421984 
 dr_opt[88][0] = -0.195946 
 dr_opt[88][1] = -0.144634 
 dr_opt[88][2] = -0.103433 
 dr_opt[89][0] = -0.106317 
 dr_opt[89][1] = -0.0541189 
 dr_opt[89][2] = -0.0737609 
 dr_opt[90][0] = -0.0624652 
 dr_opt[90][1] = 0.0336131 
 dr_opt[90][2] = -0.111 
 dr_opt[91][0] = 0.0271657 
 dr_opt[91][1] = 0.12413 
 dr_opt[91][2] = -0.0813285 
 dr_opt[92][0] = 0 
 dr_opt[92][1] = 0 
 dr_opt[92][2] = 0 
 dr_opt[93][0] = 0 
 dr_opt[93][1] = 0 
 dr_opt[93][2] = 0 
 dr_opt[94][0] = 0 
 dr_opt[94][1] = 0 
 dr_opt[94][2] = 0 
 dr_opt[95][0] = 0 
 dr_opt[95][1] = 0 
 dr_opt[95][2] = 0 
 dr_opt[96][0] = 0.094145 
 dr_opt[96][1] = -0.0371023 
 dr_opt[96][2] = 0.0295493 
 dr_opt[97][0] = 0.0806911 
 dr_opt[97][1] = -0.0638544 
 dr_opt[97][2] = 0.0228407 
 dr_opt[98][0] = 0.04161 
 dr_opt[98][1] = -0.0869774 
 dr_opt[98][2] = 0.0373053 
 dr_opt[99][0] = 0.0281565 
 dr_opt[99][1] = -0.113729 
 dr_opt[99][2] = 0.0305968 
 dr_opt[100][0] = 0.00453964 
 dr_opt[100][1] = -0.065716 
 dr_opt[100][2] = 0.0319292 
 dr_opt[101][0] = 0.0681218 
 dr_opt[101][1] = -0.0812234 
 dr_opt[101][2] = 0.0324939 
 dr_opt[102][0] = 0.111236 
 dr_opt[102][1] = -0.0955473 
 dr_opt[102][2] = 0.0422978 
 dr_opt[103][0] = 0.174818 
 dr_opt[103][1] = -0.111055 
 dr_opt[103][2] = 0.0428624 
 dr_opt[104][0] = 0 
 dr_opt[104][1] = 0 
 dr_opt[104][2] = 0 
 dr_opt[105][0] = 0 
 dr_opt[105][1] = 0 
 dr_opt[105][2] = 0 
 dr_opt[106][0] = 0 
 dr_opt[106][1] = 0 
 dr_opt[106][2] = 0 
 dr_opt[107][0] = 0 
 dr_opt[107][1] = 0 
 dr_opt[107][2] = 0 
 dr_opt[108][0] = 0 
 dr_opt[108][1] = 0 
 dr_opt[108][2] = 0 
 dr_opt[109][0] = 0 
 dr_opt[109][1] = 0 
 dr_opt[109][2] = 0 
 dr_opt[110][0] = 0 
 dr_opt[110][1] = 0 
 dr_opt[110][2] = 0 
 dr_opt[111][0] = 0 
 dr_opt[111][1] = 0 
 dr_opt[111][2] = 0 
 dr_opt[112][0] = 0 
 dr_opt[112][1] = 0 
 dr_opt[112][2] = 0 
 dr_opt[113][0] = 0 
 dr_opt[113][1] = 0 
 dr_opt[113][2] = 0 
 dr_opt[114][0] = 0 
 dr_opt[114][1] = 0 
 dr_opt[114][2] = 0 
 dr_opt[115][0] = 0 
 dr_opt[115][1] = 0 
 dr_opt[115][2] = 0 
 dr_opt[116][0] = 0 
 dr_opt[116][1] = 0 
 dr_opt[116][2] = 0 
 dr_opt[117][0] = 0 
 dr_opt[117][1] = 0 
 dr_opt[117][2] = 0 
 dr_opt[118][0] = 0 
 dr_opt[118][1] = 0 
 dr_opt[118][2] = 0 
 dr_opt[119][0] = 0 
 dr_opt[119][1] = 0 
 dr_opt[119][2] = 0 
 dr_opt[120][0] = 0 
 dr_opt[120][1] = 0 
 dr_opt[120][2] = 0 
 dr_opt[121][0] = 0 
 dr_opt[121][1] = 0 
 dr_opt[121][2] = 0 
 dr_opt[122][0] = 0 
 dr_opt[122][1] = 0 
 dr_opt[122][2] = 0 
 dr_opt[123][0] = 0 
 dr_opt[123][1] = 0 
 dr_opt[123][2] = 0 
 dr_opt[124][0] = 0 
 dr_opt[124][1] = 0 
 dr_opt[124][2] = 0 
 dr_opt[125][0] = 0 
 dr_opt[125][1] = 0 
 dr_opt[125][2] = 0 
 dr_opt[126][0] = 0 
 dr_opt[126][1] = 0 
 dr_opt[126][2] = 0 
 dr_opt[127][0] = 0 
 dr_opt[127][1] = 0 
 dr_opt[127][2] = 0 
 dr_opt[128][0] = -0.20724 
 dr_opt[128][1] = -0.252044 
 dr_opt[128][2] = -0.18906 
 dr_opt[129][0] = -0.0932136 
 dr_opt[129][1] = -0.129768 
 dr_opt[129][2] = -0.150233 
 dr_opt[130][0] = -0.0341723 
 dr_opt[130][1] = -0.0139234 
 dr_opt[130][2] = -0.194244 
 dr_opt[131][0] = 0.079854 
 dr_opt[131][1] = 0.108353 
 dr_opt[131][2] = -0.155416 
 dr_opt[132][0] = 0.032537 
 dr_opt[132][1] = 0.0062044 
 dr_opt[132][2] = 0.0241024 
 dr_opt[133][0] = 0.0781072 
 dr_opt[133][1] = 0.0641486 
 dr_opt[133][2] = 0.030626 
 dr_opt[134][0] = 0.120581 
 dr_opt[134][1] = 0.116946 
 dr_opt[134][2] = -0.0042949 
 dr_opt[135][0] = 0.166152 
 dr_opt[135][1] = 0.174891 
 dr_opt[135][2] = 0.00222815 
 dr_opt[136][0] = 0.0637063 
 dr_opt[136][1] = -0.166106 
 dr_opt[136][2] = 0.0337056 
 dr_opt[137][0] = 0.00130254 
 dr_opt[137][1] = -0.110271 
 dr_opt[137][2] = 0.047167 
 dr_opt[138][0] = -0.0270449 
 dr_opt[138][1] = -0.0569431 
 dr_opt[138][2] = 0.0203841 
 dr_opt[139][0] = -0.0894486 
 dr_opt[139][1] = -0.00110787 
 dr_opt[139][2] = 0.0338454 
 dr_opt[140][0] = -0.161659 
 dr_opt[140][1] = -0.165554 
 dr_opt[140][2] = -0.143667 
 dr_opt[141][0] = -0.150235 
 dr_opt[141][1] = -0.0547483 
 dr_opt[141][2] = -0.119314 
 dr_opt[142][0] = -0.0868049 
 dr_opt[142][1] = 0.0453249 
 dr_opt[142][2] = -0.175779 
 dr_opt[143][0] = -0.0753805 
 dr_opt[143][1] = 0.156131 
 dr_opt[143][2] = -0.151426 
 dr_opt[144][0] = 0 
 dr_opt[144][1] = 0 
 dr_opt[144][2] = 0 
 dr_opt[145][0] = 0 
 dr_opt[145][1] = 0 
 dr_opt[145][2] = 0 
 dr_opt[146][0] = 0 
 dr_opt[146][1] = 0 
 dr_opt[146][2] = 0 
 dr_opt[147][0] = 0 
 dr_opt[147][1] = 0 
 dr_opt[147][2] = 0 
 dr_opt[148][0] = 0 
 dr_opt[148][1] = 0 
 dr_opt[148][2] = 0 
 dr_opt[149][0] = 0 
 dr_opt[149][1] = 0 
 dr_opt[149][2] = 0 
 dr_opt[150][0] = 0 
 dr_opt[150][1] = 0 
 dr_opt[150][2] = 0 
 dr_opt[151][0] = 0 
 dr_opt[151][1] = 0 
 dr_opt[151][2] = 0 
 dr_opt[152][0] = 0 
 dr_opt[152][1] = 0 
 dr_opt[152][2] = 0 
 dr_opt[153][0] = 0 
 dr_opt[153][1] = 0 
 dr_opt[153][2] = 0 
 dr_opt[154][0] = 0 
 dr_opt[154][1] = 0 
 dr_opt[154][2] = 0 
 dr_opt[155][0] = 0 
 dr_opt[155][1] = 0 
 dr_opt[155][2] = 0 
 dr_opt[156][0] = 0.0947287 
 dr_opt[156][1] = 0.135141 
 dr_opt[156][2] = -0.125977 
 dr_opt[157][0] = 0.0183697 
 dr_opt[157][1] = 0.181507 
 dr_opt[157][2] = -0.12777 
 dr_opt[158][0] = -0.0517237 
 dr_opt[158][1] = 0.219826 
 dr_opt[158][2] = -0.166676 
 dr_opt[159][0] = -0.128083 
 dr_opt[159][1] = 0.266192 
 dr_opt[159][2] = -0.168469 
 n_atoms 160 dr2 0.0169496 opt_time 0.559248 opt_time_old 0.54168
   dr_max_old = 0.0974359, efficiency_old = 0.914912 / cpu s
   dr_max = 0.107179, efficiency = 0.964801 / cpu s
   dr_max = 0.117897
   du_max = 0.0294743

Adjusting maximum size of molecule moves
 dr_opt[0][0] = 0 
 dr_opt[0][1] = 0 
 dr_opt[0][2] = 0 
 dr_opt[1][0] = 0 
 dr_opt[1][1] = 0 
 dr_opt[1][2] = 0 
 dr_opt[2][0] = 0 
 dr_opt[2][1] = 0 
 dr_opt[2][2] = 0 
 dr_opt[3][0] = 0 
 dr_opt[3][1] = 0 
 dr_opt[3][2] = 0 
 dr_opt[4][0] = 0 
 dr_opt[4][1] = 0 
 dr_opt[4][2] = 0 
 dr_opt[5][0] = 0 
 dr_opt[5][1] = 0 
 dr_opt[5][2] = 0 
 dr_opt[6][0] = 0 
 dr_opt[6][1] = 0 
 dr_opt[6][2] = 0 
 dr_opt[7][0] = 0 
 dr_opt[7][1] = 0 
 dr_opt[7][2] = 0 
 dr_opt[8][0] = 0 
 dr_opt[8][1] = 0 
 dr_opt[8][2] = 0 
 dr_opt[9][0] = 0 
 dr_opt[9][1] = 0 
 dr_opt[9][2] = 0 
 dr_opt[10][0] = 0 
 dr_opt[10][1] = 0 
 dr_opt[10][2] = 0 
 dr_opt[11][0] = 0 
 dr_opt[11][1] = 0 
 dr_opt[11][2] = 0 
 dr_opt[12][0] = 0 
 dr_opt[12][1] = 0 
 dr_opt[12][2] = 0 
 dr_opt[13][0] = 0 
 dr_opt[13][1] = 0 
 dr_opt[13][2] = 0 
 dr_opt[14][0] = 0 
 dr_opt[14][1] = 0 
 dr_opt[14][2] = 0 
 dr_opt[15][0] = 0 
 dr_opt[15][1] = 0 
 dr_opt[15][2] = 0 
 dr_opt[16][0] = -0.0623657 
 dr_opt[16][1] = 0.0624527 
 dr_opt[16][2] = 0.0798875 
 dr_opt[17][0] = 0.0116038 
 dr_opt[17][1] = -0.0299327 
 dr_opt[17][2] = 0.0496309 
 dr_opt[18][0] = 0.0642012 
 dr_opt[18][1] = -0.117715 
 dr_opt[18][2] = 0.0856891 
 dr_opt[19][0] = 0.138172 
 dr_opt[19][1] = -0.210103 
 dr_opt[19][2] = 0.0554329 
 dr_opt[20][0] = 0.3577 
 dr_opt[20][1] = -0.121699 
 dr_opt[20][2] = -0.0141518 
 dr_opt[21][0] = 0.223547 
 dr_opt[21][1] = -0.090719 
 dr_opt[21][2] = -0.0128676 
 dr_opt[22][0] = 0.10479 
 dr_opt[22][1] = -0.0598014 
 dr_opt[22][2] = -0.0355037 
 dr_opt[23][0] = -0.0293629 
 dr_opt[23][1] = -0.0288211 
 dr_opt[23][2] = -0.0342197 
 dr_opt[24][0] = -0.200285 
 dr_opt[24][1] = 0.08115 
 dr_opt[24][2] = 0.117398 
 dr_opt[25][0] = -0.161231 
 dr_opt[25][1] = -0.0168432 
 dr_opt[25][2] = 0.0501125 
 dr_opt[26][0] = -0.056246 
 dr_opt[26][1] = -0.130164 
 dr_opt[26][2] = 0.0622462 
 dr_opt[27][0] = -0.0171912 
 dr_opt[27][1] = -0.228158 
 dr_opt[27][2] = -0.00503843 
 dr_opt[28][0] = 0 
 dr_opt[28][1] = 0 
 dr_opt[28][2] = 0 
 dr_opt[29][0] = 0 
 dr_opt[29][1] = 0 
 dr_opt[29][2] = 0 
 dr_opt[30][0] = 0 
 dr_opt[30][1] = 0 
 dr_opt[30][2] = 0 
 dr_opt[31][0] = 0 
 dr_opt[31][1] = 0 
 dr_opt[31][2] = 0 
 dr_opt[32][0] = 0 
 dr_opt[32][1] = 0 
 dr_opt[32][2] = 0 
 dr_opt[33][0] = 0 
 dr_opt[33][1] = 0 
 dr_opt[33][2] = 0 
 dr_opt[34][0] = 0 
 dr_opt[34][1] = 0 
 dr_opt[34][2] = 0 
 dr_opt[35][0] = 0 
 dr_opt[35][1] = 0 
 dr_opt[35][2] = 0 
 dr_opt[36][0] = 0 
 dr_opt[36][1] = 0 
 dr_opt[36][2] = 0 
 dr_opt[37][0] = 0 
 dr_opt[37][1] = 0 
 dr_opt[37][2] = 0 
 dr_opt[38][0] = 0 
 dr_opt[38][1] = 0 
 dr_opt[38][2] = 0 
 dr_opt[39][0] = 0 
 dr_opt[39][1] = 0 
 dr_opt[39][2] = 0 
 dr_opt[40][0] = 0.00861516 
 dr_opt[40][1] = -0.135518 
 dr_opt[40][2] = 0.068448 
 dr_opt[41][0] = 0.0889561 
 dr_opt[41][1] = -0.0390177 
 dr_opt[41][2] = 0.0949705 
 dr_opt[42][0] = 0.0998476 
 dr_opt[42][1] = 0.0445498 
 dr_opt[42][2] = 0.0606469 
 dr_opt[43][0] = 0.180188 
 dr_opt[43][1] = 0.14105 
 dr_opt[43][2] = 0.087169 
 dr_opt[44][0] = 0 
 dr_opt[44][1] = 0 
 dr_opt[44][2] = 0 
 dr_opt[45][0] = 0 
 dr_opt[45][1] = 0 
 dr_opt[45][2] = 0 
 dr_opt[46][0] = 0 
 dr_opt[46][1] = 0 
 dr_opt[46][2] = 0 
 dr_opt[47][0] = 0 
 dr_opt[47][1] = 0 
 dr_opt[47][2] = 0 
 dr_opt[48][0] = 0 
 dr_opt[48][1] = 0 
 dr_opt[48][2] = 0 
 dr_opt[49][0] = 0 
 dr_opt[49][1] = 0 
 dr_opt[49][2] = 0 
 dr_opt[50][0] = 0 
 dr_opt[50][1] = 0 
 dr_opt[50][2] = 0 
 dr_opt[51][0] = 0 
 dr_opt[51][1] = 0 
 dr_opt[51][2] = 0 
 dr_opt[52][0] = 0 
 dr_opt[52][1] = 0 
 dr_opt[52][2] = 0 
 dr_opt[53][0] = 0 
 dr_opt[53][1] = 0 
 dr_opt[53][2] = 0 
 dr_opt[54][0] = 0 
 dr_opt[54][1] = 0 
 dr_opt[54][2] = 0 
 dr_opt[55][0] = 0 
 dr_opt[55][1] = 0 
 dr_opt[55][2] = 0 
 dr_opt[56][0] = 0.173029 
 dr_opt[56][1] = -0.018003 
 dr_opt[56][2] = 0.00759335 
 dr_opt[57][0] = 0.121422 
 dr_opt[57][1] = -0.0420951 
 dr_opt[57][2] = -0.00134542 
 dr_opt[58][0] = 0.0439113 
 dr_opt[58][1] = -0.0637565 
 dr_opt[58][2] = 0.00677876 
 dr_opt[59][0] = -0.00769595 
 dr_opt[59][1] = -0.0878487 
 dr_opt[59][2] = -0.00216002 
 dr_opt[60][0] = 0 
 dr_opt[60][1] = 0 
 dr_opt[60][2] = 0 
 dr_opt[61][0] = 0 
 dr_opt[61][1] = 0 
 dr_opt[61][2] = 0 
 dr_opt[62][0] = 0 
 dr_opt[62][1] = 0 
 dr_opt[62][2] = 0 
 dr_opt[63][0] = 0 
 dr_opt[63][1] = 0 
 dr_opt[63][2] = 0 
 dr_opt[64][0] = 0 
 dr_opt[64][1] = 0 
 dr_opt[64][2] = 0 
 dr_opt[65][0] = 0 
 dr_opt[65][1] = 0 
 dr_opt[65][2] = 0 
 dr_opt[66][0] = 0 
 dr_opt[66][1] = 0 
 dr_opt[66][2] = 0 
 dr_opt[67][0] = 0 
 dr_opt[67][1] = 0 
 dr_opt[67][2] = 0 
 dr_opt[68][0] = 0.205944 
 dr_opt[68][1] = 0.0161962 
 dr_opt[68][2] = -0.0461222 
 dr_opt[69][0] = 0.0932488 
 dr_opt[69][1] = -0.0504197 
 dr_opt[69][2] = -0.0787279 
 dr_opt[70][0] = 0.0321251 
 dr_opt[70][1] = -0.118242 
 dr_opt[70][2] = -0.0536042 
 dr_opt[71][0] = -0.0805723 
 dr_opt[71][1] = -0.184859 
 dr_opt[71][2] = -0.08621 
 dr_opt[72][0] = 0.0271843 
 dr_opt[72][1] = -0.0410895 
 dr_opt[72][2] = 0.119999 
 dr_opt[73][0] = 0.0604405 
 dr_opt[73][1] = -0.0591308 
 dr_opt[73][2] = 0.114224 
 dr_opt[74][0] = 0.136523 
 dr_opt[74][1] = -0.0798902 
 dr_opt[74][2] = 0.11837 
 dr_opt[75][0] = 0.169779 
 dr_opt[75][1] = -0.0979316 
 dr_opt[75][2] = 0.112595 
 dr_opt[76][0] = 0 
 dr_opt[76][1] = 0 
 dr_opt[76][2] = 0 
 dr_opt[77][0] = 0 
 dr_opt[77][1] = 0 
 dr_opt[77][2] = 0 
 dr_opt[78][0] = 0 
 dr_opt[78][1] = 0 
 dr_opt[78][2] = 0 
 dr_opt[79][0] = 0 
 dr_opt[79][1] = 0 
 dr_opt[79][2] = 0 
 dr_opt[80][0] = -0.0119366 
 dr_opt[80][1] = -0.159576 
 dr_opt[80][2] = 0.0197983 
 dr_opt[81][0] = 0.0236103 
 dr_opt[81][1] = -0.0670656 
 dr_opt[81][2] = 0.0569328 
 dr_opt[82][0] = 0.0164807 
 dr_opt[82][1] = 0.00661482 
 dr_opt[82][2] = 0.0345174 
 dr_opt[83][0] = 0.0520273 
 dr_opt[83][1] = 0.0991249 
 dr_opt[83][2] = 0.0716515 
 dr_opt[84][0] = 0 
 dr_opt[84][1] = 0 
 dr_opt[84][2] = 0 
 dr_opt[85][0] = 0 
 dr_opt[85][1] = 0 
 dr_opt[85][2] = 0 
 dr_opt[86][0] = 0 
 dr_opt[86][1] = 0 
 dr_opt[86][2] = 0 
 dr_opt[87][0] = 0 
 dr_opt[87][1] = 0 
 dr_opt[87][2] = 0 
 dr_opt[88][0] = 0 
 dr_opt[88][1] = 0 
 dr_opt[88][2] = 0 
 dr_opt[89][0] = 0 
 dr_opt[89][1] = 0 
 dr_opt[89][2] = 0 
 dr_opt[90][0] = 0 
 dr_opt[90][1] = 0 
 dr_opt[90][2] = 0 
 dr_opt[91][0] = 0 
 dr_opt[91][1] = 0 
 dr_opt[91][2] = 0 
 dr_opt[92][0] = 0.0805093 
 dr_opt[92][1] = 0.113409 
 dr_opt[92][2] = 0.0590543 
 dr_opt[93][0] = -0.0181855 
 dr_opt[93][1] = 0.0941808 
 dr_opt[93][2] = 0.0319918 
 dr_opt[94][0] = -0.0843161 
 dr_opt[94][1] = 0.0682424 
 dr_opt[94][2] = 0.0328517 
 dr_opt[95][0] = -0.183011 
 dr_opt[95][1] = 0.0490142 
 dr_opt[95][2] = 0.00578947 
 dr_opt[96][0] = 0 
 dr_opt[96][1] = 0 
 dr_opt[96][2] = 0 
 dr_opt[97][0] = 0 
 dr_opt[97][1] = 0 
 dr_opt[97][2] = 0 
 dr_opt[98][0] = 0 
 dr_opt[98][1] = 0 
 dr_opt[98][2] = 0 
 dr_opt[99][0] = 0 
 dr_opt[99][1] = 0 
 dr_opt[99][2] = 0 
 dr_opt[100][0] = 0.0785702 
 dr_opt[100][1] = -0.0515882 
 dr_opt[100][2] = -0.101059 
 dr_opt[101][0] = 0.0907718 
 dr_opt[101][1] = -0.0274745 
 dr_opt[101][2] = -0.0943604 
 dr_opt[102][0] = 0.117083 
 dr_opt[102][1] = -0.0051779 
 dr_opt[102][2] = -0.103943 
 dr_opt[103][0] = 0.129285 
 dr_opt[103][1] = 0.0189358 
 dr_opt[103][2] = -0.0972444 
 dr_opt[104][0] = 0.228512 
 dr_opt[104][1] = 0.0285069 
 dr_opt[104][2] = -0.047134 
 dr_opt[105][0] = 0.316577 
 dr_opt[105][1] = -0.016452 
 dr_opt[105][2] = -0.0672408 
 dr_opt[106][0] = 0.365223 
 dr_opt[106][1] = -0.0638323 
 dr_opt[106][2] = -0.0473573 
 dr_opt[107][0] = 0.453289 
 dr_opt[107][1] = -0.108791 
 dr_opt[107][2] = -0.0674641 
 dr_opt[108][0] = 0 
 dr_opt[108][1] = 0 
 dr_opt[108][2] = 0 
 dr_opt[109][0] = 0 
 dr_opt[109][1] = 0 
 dr_opt[109][2] = 0 
 dr_opt[110][0] = 0 
 dr_opt[110][1] = 0 
 dr_opt[110][2] = 0 
 dr_opt[111][0] = 0 
 dr_opt[111][1] = 0 
 dr_opt[111][2] = 0 
 dr_opt[112][0] = 0 
 dr_opt[112][1] = 0 
 dr_opt[112][2] = 0 
 dr_opt[113][0] = 0 
 dr_opt[113][1] = 0 
 dr_opt[113][2] = 0 
 dr_opt[114][0] = 0 
 dr_opt[114][1] = 0 
 dr_opt[114][2] = 0 
 dr_opt[115][0] = 0 
 dr_opt[115][1] = 0 
 dr_opt[115][2] = 0 
 dr_opt[116][0] = 0 
 dr_opt[116][1] = 0 
 dr_opt[116][2] = 0 
 dr_opt[117][0] = 0 
 dr_opt[117][1] = 0 
 dr_opt[117][2] = 0 
 dr_opt[118][0] = 0 
 dr_opt[118][1] = 0 
 dr_opt[118][2] = 0 
 dr_opt[119][0] = 0 
 dr_opt[119][1] = 0 
 dr_opt[119][2] = 0 
 dr_opt[120][0] = 0 
 dr_opt[120][1] = 0 
 dr_opt[120][2] = 0 
 dr_opt[121][0] = 0 
 dr_opt[121][1] = 0 
 dr_opt[121][2] = 0 
 dr_opt[122][0] = 0 
 dr_opt[122][1] = 0 
 dr_opt[122][2] = 0 
 dr_opt[123][0] = 0 
 dr_opt[123][1] = 0 
 dr_opt[123][2] = 0 
 dr_opt[124][0] = 0.180125 
 dr_opt[124][1] = -0.108076 
 dr_opt[124][2] = 0.0930677 
 dr_opt[125][0] = 0.0880661 
 dr_opt[125][1] = -0.0448002 
 dr_opt[125][2] = 0.114935 
 dr_opt[126][0] = 0.0102554 
 dr_opt[126][1] = 0.0164073 
 dr_opt[126][2] = 0.0878915 
 dr_opt[127][0] = -0.0818031 
 dr_opt[127][1] = 0.0796826 
 dr_opt[127][2] = 0.109759 
 dr_opt[128][0] = 0 
 dr_opt[128][1] = 0 
 dr_opt[128][2] = 0 
 dr_opt[129][0] = 0 
 dr_opt[129][1] = 0 
 dr_opt[129][2] = 0 
 dr_opt[130][0] = 0 
 dr_opt[130][1] = 0 
 dr_opt[130][2] = 0 
 dr_opt[131][0] = 0 
 dr_opt[131][1] = 0 
 dr_opt[131][2] = 0 
 dr_opt[132][0] = 0.181677 
 dr_opt[132][1] = -0.00865988 
 dr_opt[132][2] = 0.0938182 
 dr_opt[133][0] = 0.128492 
 dr_opt[133][1] = -0.0352945 
 dr_opt[133][2] = 0.0959454 
 dr_opt[134][0] = 0.0241526 
 dr_opt[134][1] = -0.0587096 
 dr_opt[134][2] = 0.125323 
 dr_opt[135][0] = -0.0290342 
 dr_opt[135][1] = -0.0853448 
 dr_opt[135][2] = 0.127451 
 dr_opt[136][0] = 0 
 dr_opt[136][1] = 0 
 dr_opt[136][2] = 0 
 dr_opt[137][0] = 0 
 dr_opt[137][1] = 0 
 dr_opt[137][2] = 0 
 dr_opt[138][0] = 0 
 dr_opt[138][1] = 0 
 dr_opt[138][2] = 0 
 dr_opt[139][0] = 0 
 dr_opt[139][1] = 0 
 dr_opt[139][2] = 0 
 dr_opt[140][0] = 0 
 dr_opt[140][1] = 0 
 dr_opt[140][2] = 0 
 dr_opt[141][0] = 0 
 dr_opt[141][1] = 0 
 dr_opt[141][2] = 0 
 dr_opt[142][0] = 0 
 dr_opt[142][1] = 0 
 dr_opt[142][2] = 0 
 dr_opt[143][0] = 0 
 dr_opt[143][1] = 0 
 dr_opt[143][2] = 0 
 dr_opt[144][0] = 0 
 dr_opt[144][1] = 0 
 dr_opt[144][2] = 0 
 dr_opt[145][0] = 0 
 dr_opt[145][1] = 0 
 dr_opt[145][2] = 0 
 dr_opt[146][0] = 0 
 dr_opt[146][1] = 0 
 dr_opt[146][2] = 0 
 dr_opt[147][0] = 0 
 dr_opt[147][1] = 0 
 dr_opt[147][2] = 0 
 dr_opt[148][0] = 0 
 dr_opt[148][1] = 0 
 dr_opt[148][2] = 0 
 dr_opt[149][0] = 0 
 dr_opt[149][1] = 0 
 dr_opt[149][2] = 0 
 dr_opt[150][0] = 0 
 dr_opt[150][1] = 0 
 dr_opt[150][2] = 0 
 dr_opt[151][0] = 0 
 dr_opt[151][1] = 0 
 dr_opt[151][2] = 0 
 dr_opt[152][0] = 0.0238159 
 dr_opt[152][1] = -0.196143 
 dr_opt[152][2] = -0.014175 
 dr_opt[153][0] = 0.0519526 
 dr_opt[153][1] = 0.00535857 
 dr_opt[153][2] = 0.0731954 
 dr_opt[154][0] = 0.0768375 
 dr_opt[154][1] = 0.215766 
 dr_opt[154][2] = 0.00977997 
 dr_opt[155][0] = 0.104974 
 dr_opt[155][1] = 0.417264 
 dr_opt[155][2] = 0.0971498 
 dr_opt[156][0] = -0.0442093 
 dr_opt[156][1] = 0.157572 
 dr_opt[156][2] = 0.0297973 
 dr_opt[157][0] = 0.0343531 
 dr_opt[157][1] = 0.0602062 
 dr_opt[157][2] = 0.0236273 
 dr_opt[158][0] = 0.0751134 
 dr_opt[158][1] = -0.0262636 
 dr_opt[158][2] = 0.0858777 
 dr_opt[159][0] = 0.153676 
 dr_opt[159][1] = -0.12363 
 dr_opt[159][2] = 0.0797077 
 n_atoms 160 dr2 0.0142601 opt_time 0.574864 opt_time_old 0.559248
   dr_max_old = 0.107179, efficiency_old = 0.964801 / cpu s
   dr_max = 0.117897, efficiency = 0.913173 / cpu s
   dr_max = 0.107179
   du_max = 0.0267949

Adjusting maximum size of molecule moves
 dr_opt[0][0] = 0 
 dr_opt[0][1] = 0 
 dr_opt[0][2] = 0 
 dr_opt[1][0] = 0 
 dr_opt[1][1] = 0 
 dr_opt[1][2] = 0 
 dr_opt[2][0] = 0 
 dr_opt[2][1] = 0 
 dr_opt[2][2] = 0 
 dr_opt[3][0] = 0 
 dr_opt[3][1] = 0 
 dr_opt[3][2] = 0 
 dr_opt[4][0] = 0 
 dr_opt[4][1] = 0 
 dr_opt[4][2] = 0 
 dr_opt[5][0] = 0 
 dr_opt[5][1] = 0 
 dr_opt[5][2] = 0 
 dr_opt[6][0] = 0 
 dr_opt[6][1] = 0 
 dr_opt[6][2] = 0 
 dr_opt[7][0] = 0 
 dr_opt[7][1] = 0 
 dr_opt[7][2] = 0 
 dr_opt[8][0] = -0.170817 
 dr_opt[8][1] = 0.185527 
 dr_opt[8][2] = 0.0213026 
 dr_opt[9][0] = -0.0831876 
 dr_opt[9][1] = 0.102147 
 dr_opt[9][2] = 0.00110859 
 dr_opt[10][0] = -0.0622085 
 dr_opt[10][1] = 0.0234108 
 dr_opt[10][2] = 0.0384634 
 dr_opt[11][0] = 0.0254201 
 dr_opt[11][1] = -0.059967 
 dr_opt[11][2] = 0.018269 
 dr_opt[12][0] = 0.0390697 
 dr_opt[12][1] = 0.0277689 
 dr_opt[12][2] = -0.0312274 
 dr_opt[13][0] = 0.0368702 
 dr_opt[13][1] = -0.0237976 
 dr_opt[13][2] = -0.0464726 
 dr_opt[14][0] = 0.0991872 
 dr_opt[14][1] = -0.0779625 
 dr_opt[14][2] = -0.039103 
 dr_opt[15][0] = 0.0969882 
 dr_opt[15][1] = -0.12953 
 dr_opt[15][2] = -0.0543484 
 dr_opt[16][0] = 0 
 dr_opt[16][1] = 0 
 dr_opt[16][2] = 0 
 dr_opt[17][0] = 0 
 dr_opt[17][1] = 0 
 dr_opt[17][2] = 0 
 dr_opt[18][0] = 0 
 dr_opt[18][1] = 0 
 dr_opt[18][2] = 0 
 dr_opt[19][0] = 0 
 dr_opt[19][1] = 0 
 dr_opt[19][2] = 0 
 dr_opt[20][0] = -0.214356 
 dr_opt[20][1] = -0.111353 
 dr_opt[20][2] = -0.221354 
 dr_opt[21][0] = -0.149036 
 dr_opt[21][1] = -0.0438719 
 dr_opt[21][2] = -0.194241 
 dr_opt[22][0] = -0.0806593 
 dr_opt[22][1] = 0.0215293 
 dr_opt[22][2] = -0.214268 
 dr_opt[23][0] = -0.0153395 
 dr_opt[23][1] = 0.08901 
 dr_opt[23][2] = -0.187155 
 dr_opt[24][0] = 0.0556318 
 dr_opt[24][1] = -0.0608483 
 dr_opt[24][2] = -0.0928906 
 dr_opt[25][0] = 0.00123004 
 dr_opt[25][1] = 0.00890029 
 dr_opt[25][2] = -0.0429707 
 dr_opt[26][0] = -0.073064 
 dr_opt[26][1] = 0.0923272 
 dr_opt[26][2] = -0.0507044 
 dr_opt[27][0] = -0.127466 
 dr_opt[27][1] = 0.162076 
 dr_opt[27][2] = -0.00078504 
 dr_opt[28][0] = 0 
 dr_opt[28][1] = 0 
 dr_opt[28][2] = 0 
 dr_opt[29][0] = 0 
 dr_opt[29][1] = 0 
 dr_opt[29][2] = 0 
 dr_opt[30][0] = 0 
 dr_opt[30][1] = 0 
 dr_opt[30][2] = 0 
 dr_opt[31][0] = 0 
 dr_opt[31][1] = 0 
 dr_opt[31][2] = 0 
 dr_opt[32][0] = -0.0423553 
 dr_opt[32][1] = -0.157277 
 dr_opt[32][2] = -0.0911342 
 dr_opt[33][0] = -0.0156436 
 dr_opt[33][1] = -0.147813 
 dr_opt[33][2] = -0.0844078 
 dr_opt[34][0] = -0.0135602 
 dr_opt[34][1] = -0.136133 
 dr_opt[34][2] = -0.0881931 
 dr_opt[35][0] = 0.0131518 
 dr_opt[35][1] = -0.126669 
 dr_opt[35][2] = -0.0814668 
 dr_opt[36][0] = 0 
 dr_opt[36][1] = 0 
 dr_opt[36][2] = 0 
 dr_opt[37][0] = 0 
 dr_opt[37][1] = 0 
 dr_opt[37][2] = 0 
 dr_opt[38][0] = 0 
 dr_opt[38][1] = 0 
 dr_opt[38][2] = 0 
 dr_opt[39][0] = 0 
 dr_opt[39][1] = 0 
 dr_opt[39][2] = 0 
 dr_opt[40][0] = -0.053525 
 dr_opt[40][1] = 0.072681 
 dr_opt[40][2] = -0.0339282 
 dr_opt[41][0] = -0.013816 
 dr_opt[41][1] = 0.0281401 
 dr_opt[41][2] = -0.0494142 
 dr_opt[42][0] = 0.0778106 
 dr_opt[42][1] = -0.00664323 
 dr_opt[42][2] = -0.0306942 
 dr_opt[43][0] = 0.11752 
 dr_opt[43][1] = -0.0511841 
 dr_opt[43][2] = -0.0461799 
 dr_opt[44][0] = 0 
 dr_opt[44][1] = 0 
 dr_opt[44][2] = 0 
 dr_opt[45][0] = 0 
 dr_opt[45][1] = 0 
 dr_opt[45][2] = 0 
 dr_opt[46][0] = 0 
 dr_opt[46][1] = 0 
 dr_opt[46][2] = 0 
 dr_opt[47][0] = 0 
 dr_opt[47][1] = 0 
 dr_opt[47][2] = 0 
 dr_opt[48][0] = 0 
 dr_opt[48][1] = 0 
 dr_opt[48][2] = 0 
 dr_opt[49][0] = 0 
 dr_opt[49][1] = 0 
 dr_opt[49][2] = 0 
 dr_opt[50][0] = 0 
 dr_opt[50][1] = 0 
 dr_opt[50][2] = 0 
 dr_opt[51][0] = 0 
 dr_opt[51][1] = 0 
 dr_opt[51][2] = 0 
 dr_opt[52][0] = 0 
 dr_opt[52][1] = 0 
 dr_opt[52][2] = 0 
 dr_opt[53][0] = 0 
 dr_opt[53][1] = 0 
 dr_opt[53][2] = 0 
 dr_opt[54][0] = 0 
 dr_opt[54][1] = 0 
 dr_opt[54][2] = 0 
 dr_opt[55][0] = 0 
 dr_opt[55][1] = 0 
 dr_opt[55][2] = 0 
 dr_opt[56][0] = -0.0395801 
 dr_opt[56][1] = 0.201226 
 dr_opt[56][2] = -0.0580514 
 dr_opt[57][0] = -0.0473565 
 dr_opt[57][1] = 0.121912 
 dr_opt[57][2] = -0.0818969 
 dr_opt[58][0] = 0.00797977 
 dr_opt[58][1] = 0.0431882 
 dr_opt[58][2] = -0.0457252 
 dr_opt[59][0] = 0.00020344 
 dr_opt[59][1] = -0.0361266 
 dr_opt[59][2] = -0.0695707 
 dr_opt[60][0] = 0.11517 
 dr_opt[60][1] = -0.219488 
 dr_opt[60][2] = 0.0238641 
 dr_opt[61][0] = 0.0159898 
 dr_opt[61][1] = -0.140246 
 dr_opt[61][2] = 0.0310404 
 dr_opt[62][0] = -0.0426283 
 dr_opt[62][1] = -0.0665475 
 dr_opt[62][2] = -0.00797402 
 dr_opt[63][0] = -0.141806 
 dr_opt[63][1] = 0.0126929 
 dr_opt[63][2] = -0.000797867 
 dr_opt[64][0] = 0 
 dr_opt[64][1] = 0 
 dr_opt[64][2] = 0 
 dr_opt[65][0] = 0 
 dr_opt[65][1] = 0 
 dr_opt[65][2] = 0 
 dr_opt[66][0] = 0 
 dr_opt[66][1] = 0 
 dr_opt[66][2] = 0 
 dr_opt[67][0] = 0 
 dr_opt[67][1] = 0 
 dr_opt[67][2] = 0 
 dr_opt[68][0] = 0 
 dr_opt[68][1] = 0 
 dr_opt[68][2] = 0 
 dr_opt[69][0] = 0 
 dr_opt[69][1] = 0 
 dr_opt[69][2] = 0 
 dr_opt[70][0] = 0 
 dr_opt[70][1] = 0 
 dr_opt[70][2] = 0 
 dr_opt[71][0] = 0 
 dr_opt[71][1] = 0 
 dr_opt[71][2] = 0 
 dr_opt[72][0] = 0 
 dr_opt[72][1] = 0 
 dr_opt[72][2] = 0 
 dr_opt[73][0] = 0 
 dr_opt[73][1] = 0 
 dr_opt[73][2] = 0 
 dr_opt[74][0] = 0 
 dr_opt[74][1] = 0 
 dr_opt[74][2] = 0 
 dr_opt[75][0] = 0 
 dr_opt[75][1] = 0 
 dr_opt[75][2] = 0 
 dr_opt[76][0] = -0.0738311 
 dr_opt[76][1] = 0.0840999 
 dr_opt[76][2] = 0.00346973 
 dr_opt[77][0] = 0.020608 
 dr_opt[77][1] = 0.0950084 
 dr_opt[77][2] = 0.028766 
 dr_opt[78][0] = 0.0439772 
 dr_opt[78][1] = 0.101428 
 dr_opt[78][2] = 0.0322454 
 dr_opt[79][0] = 0.138415 
 dr_opt[79][1] = 0.112336 
 dr_opt[79][2] = 0.0575413 
 dr_opt[80][0] = 0.0588104 
 dr_opt[80][1] = -0.0486393 
 dr_opt[80][2] = -0.0787306 
 dr_opt[81][0] = -0.000951482 
 dr_opt[81][1] = 0.0109403 
 dr_opt[81][2] = -0.0582089 
 dr_opt[82][0] = -0.0450712 
 dr_opt[82][1] = 0.0748981 
 dr_opt[82][2] = -0.0925087 
 dr_opt[83][0] = -0.104833 
 dr_opt[83][1] = 0.134478 
 dr_opt[83][2] = -0.0719875 
 dr_opt[84][0] = 0.0118809 
 dr_opt[84][1] = 0.061835 
 dr_opt[84][2] = 0.046978 
 dr_opt[85][0] = 0.0935449 
 dr_opt[85][1] = 0.0466431 
 dr_opt[85][2] = 0.034645 
 dr_opt[86][0] = 0.114455 
 dr_opt[86][1] = 0.0216614 
 dr_opt[86][2] = 0.0483722 
 dr_opt[87][0] = 0.196117 
 dr_opt[87][1] = 0.00646999 
 dr_opt[87][2] = 0.0360393 
 dr_opt[88][0] = 0 
 dr_opt[88][1] = 0 
 dr_opt[88][2] = 0 
 dr_opt[89][0] = 0 
 dr_opt[89][1] = 0 
 dr_opt[89][2] = 0 
 dr_opt[90][0] = 0 
 dr_opt[90][1] = 0 
 dr_opt[90][2] = 0 
 dr_opt[91][0] = 0 
 dr_opt[91][1] = 0 
 dr_opt[91][2] = 0 
 dr_opt[92][0] = -0.0594043 
 dr_opt[92][1] = 0.0400156 
 dr_opt[92][2] = -0.0531223 
 dr_opt[93][0] = -0.0982433 
 dr_opt[93][1] = 0.00392108 
 dr_opt[93][2] = -0.0798805 
 dr_opt[94][0] = -0.0946026 
 dr_opt[94][1] = -0.0433491 
 dr_opt[94][2] = -0.0681753 
 dr_opt[95][0] = -0.133441 
 dr_opt[95][1] = -0.0794437 
 dr_opt[95][2] = -0.0949332 
 dr_opt[96][0] = -0.0401015 
 dr_opt[96][1] = 0.120443 
 dr_opt[96][2] = -0.0254726 
 dr_opt[97][0] = -0.0165232 
 dr_opt[97][1] = 0.045028 
 dr_opt[97][2] = -0.0492332 
 dr_opt[98][0] = 0.0532486 
 dr_opt[98][1] = -0.0308816 
 dr_opt[98][2] = -0.0239064 
 dr_opt[99][0] = 0.0768263 
 dr_opt[99][1] = -0.106295 
 dr_opt[99][2] = -0.0476666 
 dr_opt[100][0] = 0 
 dr_opt[100][1] = 0 
 dr_opt[100][2] = 0 
 dr_opt[101][0] = 0 
 dr_opt[101][1] = 0 
 dr_opt[101][2] = 0 
 dr_opt[102][0] = 0 
 dr_opt[102][1] = 0 
 dr_opt[102][2] = 0 
 dr_opt[103][0] = 0 
 dr_opt[103][1] = 0 
 dr_opt[103][2] = 0 
 dr_opt[104][0] = 0 
 dr_opt[104][1] = 0 
 dr_opt[104][2] = 0 
 dr_opt[105][0] = 0 
 dr_opt[105][1] = 0 
 dr_opt[105][2] = 0 
 dr_opt[106][0] = 0 
 dr_opt[106][1] = 0 
 dr_opt[106][2] = 0 
 dr_opt[107][0] = 0 
 dr_opt[107][1] = 0 
 dr_opt[107][2] = 0 
 dr_opt[108][0] = 0 
 dr_opt[108][1] = 0 
 dr_opt[108][2] = 0 
 dr_opt[109][0] = 0 
 dr_opt[109][1] = 0 
 dr_opt[109][2] = 0 
 dr_opt[110][0] = 0 
 dr_opt[110][1] = 0 
 dr_opt[110][2] = 0 
 dr_opt[111][0] = 0 
 dr_opt[111][1] = 0 
 dr_opt[111][2] = 0 
 dr_opt[112][0] = 0.216915 
 dr_opt[112][1] = 0.0960855 
 dr_opt[112][2] = 0.0523818 
 dr_opt[113][0] = 0.122174 
 dr_opt[113][1] = 0.0822495 
 dr_opt[113][2] = 0.0481828 
 dr_opt[114][0] = 0.0193641 
 dr_opt[114][1] = 0.0683726 
 dr_opt[114][2] = 0.0498865 
 dr_opt[115][0] = -0.0753773 
 dr_opt[115][1] = 0.0545366 
 dr_opt[115][2] = 0.0456875 
 dr_opt[116][0] = 0 
 dr_opt[116][1] = 0 
 dr_opt[116][2] = 0 
 dr_opt[117][0] = 0 
 dr_opt[117][1] = 0 
 dr_opt[117][2] = 0 
 dr_opt[118][0] = 0 
 dr_opt[118][1] = 0 
 dr_opt[118][2] = 0 
 dr_opt[119][0] = 0 
 dr_opt[119][1] = 0 
 dr_opt[119][2] = 0 
 dr_opt[120][0] = 0.132704 
 dr_opt[120][1] = -0.187797 
 dr_opt[120][2] = 0.135701 
 dr_opt[121][0] = 0.0446338 
 dr_opt[121][1] = -0.104705 
 dr_opt[121][2] = 0.170341 
 dr_opt[122][0] = -0.118435 
 dr_opt[122][1] = -0.0312138 
 dr_opt[122][2] = 0.135595 
 dr_opt[123][0] = -0.206508 
 dr_opt[123][1] = 0.0518802 
 dr_opt[123][2] = 0.170236 
 dr_opt[124][0] = 0 
 dr_opt[124][1] = 0 
 dr_opt[124][2] = 0 
 dr_opt[125][0] = 0 
 dr_opt[125][1] = 0 
 dr_opt[125][2] = 0 
 dr_opt[126][0] = 0 
 dr_opt[126][1] = 0 
 dr_opt[126][2] = 0 
 dr_opt[127][0] = 0 
 dr_opt[127][1] = 0 
 dr_opt[127][2] = 0 
 dr_opt[128][0] = -0.0840597 
 dr_opt[128][1] = 0.128126 
 dr_opt[128][2] = 0.081841 
 dr_opt[129][0] = -0.0305036 
 dr_opt[129][1] = 0.0771757 
 dr_opt[129][2] = 0.063295 
 dr_opt[130][0] = 0.0644737 
 dr_opt[130][1] = 0.0311042 
 dr_opt[130][2] = 0.0825056 
 dr_opt[131][0] = 0.11803 
 dr_opt[131][1] = -0.0198458 
 dr_opt[131][2] = 0.0639597 
 dr_opt[132][0] = 0 
 dr_opt[132][1] = 0 
 dr_opt[132][2] = 0 
 dr_opt[133][0] = 0 
 dr_opt[133][1] = 0 
 dr_opt[133][2] = 0 
 dr_opt[134][0] = 0 
 dr_opt[134][1] = 0 
 dr_opt[134][2] = 0 
 dr_opt[135][0] = 0 
 dr_opt[135][1] = 0 
 dr_opt[135][2] = 0 
 dr_opt[136][0] = 0 
 dr_opt[136][1] = 0 
 dr_opt[136][2] = 0 
 dr_opt[137][0] = 0 
 dr_opt[137][1] = 0 
 dr_opt[137][2] = 0 
 dr_opt[138][0] = 0 
 dr_opt[138][1] = 0 
 dr_opt[138][2] = 0 
 dr_opt[139][0] = 0 
 dr_opt[139][1] = 0 
 dr_opt[139][2] = 0 
 dr_opt[140][0] = 0 
 dr_opt[140][1] = 0 
 dr_opt[140][2] = 0 
 dr_opt[141][0] = 0 
 dr_opt[141][1] = 0 
 dr_opt[141][2] = 0 
 dr_opt[142][0] = 0 
 dr_opt[142][1] = 0 
 dr_opt[142][2] = 0 
 dr_opt[143][0] = 0 
 dr_opt[143][1] = 0 
 dr_opt[143][2] = 0 
 dr_opt[144][0] = 0 
 dr_opt[144][1] = 0 
 dr_opt[144][2] = 0 
 dr_opt[145][0] = 0 
 dr_opt[145][1] = 0 
 dr_opt[145][2] = 0 
 dr_opt[146][0] = 0 
 dr_opt[146][1] = 0 
 dr_opt[146][2] = 0 
 dr_opt[147][0] = 0 
 dr_opt[147][1] = 0 
 dr_opt[147][2] = 0 
 dr_opt[148][0] = -0.0615319 
 dr_opt[148][1] = 0.0263991 
 dr_opt[148][2] = -0.00420671 
 dr_opt[149][0] = -0.00626048 
 dr_opt[149][1] = 0.0483325 
 dr_opt[149][2] = -0.00611121 
 dr_opt[150][0] = 0.0094899 
 dr_opt[150][1] = 0.0651583 
 dr_opt[150][2] = -0.0145199 
 dr_opt[151][0] = 0.0647604 
 dr_opt[151][1] = 0.0870913 
 dr_opt[151][2] = -0.0164243 
 dr_opt[152][0] = 0.0518739 
 dr_opt[152][1] = -0.155029 
 dr_opt[152][2] = -0.0621212 
 dr_opt[153][0] = 0.0565884 
 dr_opt[153][1] = -0.0596527 
 dr_opt[153][2] = -0.0297951 
 dr_opt[154][0] = 0.0527013 
 dr_opt[154][1] = 0.0355902 
 dr_opt[154][2] = -0.0652465 
 dr_opt[155][0] = 0.0574157 
 dr_opt[155][1] = 0.130965 
 dr_opt[155][2] = -0.0329205 
 dr_opt[156][0] = 0 
 dr_opt[156][1] = 0 
 dr_opt[156][2] = 0 
 dr_opt[157][0] = 0 
 dr_opt[157][1] = 0 
 dr_opt[157][2] = 0 
 dr_opt[158][0] = 0 
 dr_opt[158][1] = 0 
 dr_opt[158][2] = 0 
 dr_opt[159][0] = 0 
 dr_opt[159][1] = 0 
 dr_opt[159][2] = 0 
 n_atoms 160 dr2 0.010265 opt_time 0.59048 opt_time_old 0.574864
   dr_max_old = 0.117897, efficiency_old = 0.913173 / cpu s
   dr_max = 0.107179, efficiency = 0.657336 / cpu s
   dr_max = 0.117897
   du_max = 0.0294743

Adjusting maximum size of molecule moves
 dr_opt[0][0] = 0.0962583 
 dr_opt[0][1] = -0.0244904 
 dr_opt[0][2] = 0.062811 
 dr_opt[1][0] = 0.0975126 
 dr_opt[1][1] = 0.0348531 
 dr_opt[1][2] = 0.089524 
 dr_opt[2][0] = 0.115985 
 dr_opt[2][1] = 0.0972759 
 dr_opt[2][2] = 0.0735787 
 dr_opt[3][0] = 0.117239 
 dr_opt[3][1] = 0.156621 
 dr_opt[3][2] = 0.100292 
 dr_opt[4][0] = 0 
 dr_opt[4][1] = 0 
 dr_opt[4][2] = 0 
 dr_opt[5][0] = 0 
 dr_opt[5][1] = 0 
 dr_opt[5][2] = 0 
 dr_opt[6][0] = 0 
 dr_opt[6][1] = 0 
 dr_opt[6][2] = 0 
 dr_opt[7][0] = 0 
 dr_opt[7][1] = 0 
 dr_opt[7][2] = 0 
 dr_opt[8][0] = -0.00579106 
 dr_opt[8][1] = -0.139245 
 dr_opt[8][2] = -0.0230571 
 dr_opt[9][0] = -0.0533301 
 dr_opt[9][1] = -0.0930112 
 dr_opt[9][2] = -0.01087 
 dr_opt[10][0] = -0.0972911 
 dr_opt[10][1] = -0.049314 
 dr_opt[10][2] = -0.0323484 
 dr_opt[11][0] = -0.144829 
 dr_opt[11][1] = -0.00308141 
 dr_opt[11][2] = -0.020161 
 dr_opt[12][0] = 0 
 dr_opt[12][1] = 0 
 dr_opt[12][2] = 0 
 dr_opt[13][0] = 0 
 dr_opt[13][1] = 0 
 dr_opt[13][2] = 0 
 dr_opt[14][0] = 0 
 dr_opt[14][1] = 0 
 dr_opt[14][2] = 0 
 dr_opt[15][0] = 0 
 dr_opt[15][1] = 0 
 dr_opt[15][2] = 0 
 dr_opt[16][0] = 0 
 dr_opt[16][1] = 0 
 dr_opt[16][2] = 0 
 dr_opt[17][0] = 0 
 dr_opt[17][1] = 0 
 dr_opt[17][2] = 0 
 dr_opt[18][0] = 0 
 dr_opt[18][1] = 0 
 dr_opt[18][2] = 0 
 dr_opt[19][0] = 0 
 dr_opt[19][1] = 0 
 dr_opt[19][2] = 0 
 dr_opt[20][0] = 0.0481429 
 dr_opt[20][1] = 0.279132 
 dr_opt[20][2] = 0.143742 
 dr_opt[21][0] = 0.0177858 
 dr_opt[21][1] = 0.187848 
 dr_opt[21][2] = 0.111823 
 dr_opt[22][0] = -0.0155626 
 dr_opt[22][1] = 0.0990305 
 dr_opt[22][2] = 0.144906 
 dr_opt[23][0] = -0.0459196 
 dr_opt[23][1] = 0.007747 
 dr_opt[23][2] = 0.112988 
 dr_opt[24][0] = -0.184458 
 dr_opt[24][1] = 0.277702 
 dr_opt[24][2] = 0.139534 
 dr_opt[25][0] = -0.180645 
 dr_opt[25][1] = 0.138053 
 dr_opt[25][2] = 0.0403948 
 dr_opt[26][0] = -0.0523967 
 dr_opt[26][1] = -0.031019 
 dr_opt[26][2] = 0.0509354 
 dr_opt[27][0] = -0.0485832 
 dr_opt[27][1] = -0.170668 
 dr_opt[27][2] = -0.0482028 
 dr_opt[28][0] = 0 
 dr_opt[28][1] = 0 
 dr_opt[28][2] = 0 
 dr_opt[29][0] = 0 
 dr_opt[29][1] = 0 
 dr_opt[29][2] = 0 
 dr_opt[30][0] = 0 
 dr_opt[30][1] = 0 
 dr_opt[30][2] = 0 
 dr_opt[31][0] = 0 
 dr_opt[31][1] = 0 
 dr_opt[31][2] = 0 
 dr_opt[32][0] = 0 
 dr_opt[32][1] = 0 
 dr_opt[32][2] = 0 
 dr_opt[33][0] = 0 
 dr_opt[33][1] = 0 
 dr_opt[33][2] = 0 
 dr_opt[34][0] = 0 
 dr_opt[34][1] = 0 
 dr_opt[34][2] = 0 
 dr_opt[35][0] = 0 
 dr_opt[35][1] = 0 
 dr_opt[35][2] = 0 
 dr_opt[36][0] = 0.124192 
 dr_opt[36][1] = -0.225271 
 dr_opt[36][2] = 0.0316189 
 dr_opt[37][0] = 0.0356863 
 dr_opt[37][1] = -0.123179 
 dr_opt[37][2] = 0.0693108 
 dr_opt[38][0] = -0.0353552 
 dr_opt[38][1] = -0.0159775 
 dr_opt[38][2] = 0.0324698 
 dr_opt[39][0] = -0.123863 
 dr_opt[39][1] = 0.0861171 
 dr_opt[39][2] = 0.0701624 
 dr_opt[40][0] = -0.0738943 
 dr_opt[40][1] = 0.14285 
 dr_opt[40][2] = 0.0614071 
 dr_opt[41][0] = -0.0769411 
 dr_opt[41][1] = 0.112927 
 dr_opt[41][2] = 0.0523456 
 dr_opt[42][0] = -0.00370436 
 dr_opt[42][1] = 0.09128 
 dr_opt[42][2] = 0.0609418 
 dr_opt[43][0] = -0.0067506 
 dr_opt[43][1] = 0.0613562 
 dr_opt[43][2] = 0.0518805 
 dr_opt[44][0] = 0 
 dr_opt[44][1] = 0 
 dr_opt[44][2] = 0 
 dr_opt[45][0] = 0 
 dr_opt[45][1] = 0 
 dr_opt[45][2] = 0 
 dr_opt[46][0] = 0 
 dr_opt[46][1] = 0 
 dr_opt[46][2] = 0 
 dr_opt[47][0] = 0 
 dr_opt[47][1] = 0 
 dr_opt[47][2] = 0 
 dr_opt[48][0] = 0 
 dr_opt[48][1] = 0 
 dr_opt[48][2] = 0 
 dr_opt[49][0] = 0 
 dr_opt[49][1] = 0 
 dr_opt[49][2] = 0 
 dr_opt[50][0] = 0 
 dr_opt[50][1] = 0 
 dr_opt[50][2] = 0 
 dr_opt[51][0] = 0 
 dr_opt[51][1] = 0 
 dr_opt[51][2] = 0 
 dr_opt[52][0] = 0 
 dr_opt[52][1] = 0 
 dr_opt[52][2] = 0 
 dr_opt[53][0] = 0 
 dr_opt[53][1] = 0 
 dr_opt[53][2] = 0 
 dr_opt[54][0] = 0 
 dr_opt[54][1] = 0 
 dr_opt[54][2] = 0 
 dr_opt[55][0] = 0 
 dr_opt[55][1] = 0 
 dr_opt[55][2] = 0 
 dr_opt[56][0] = -0.0869523 
 dr_opt[56][1] = 0.0796064 
 dr_opt[56][2] = 0.0328883 
 dr_opt[57][0] = -0.0478974 
 dr_opt[57][1] = 0.0578869 
 dr_opt[57][2] = 0.0281263 
 dr_opt[58][0] = -0.0269091 
 dr_opt[58][1] = 0.0377909 
 dr_opt[58][2] = 0.0364999 
 dr_opt[59][0] = 0.0121458 
 dr_opt[59][1] = 0.0160713 
 dr_opt[59][2] = 0.0317378 
 dr_opt[60][0] = 0.00218236 
 dr_opt[60][1] = 0.065046 
 dr_opt[60][2] = 0.00616001 
 dr_opt[61][0] = -0.0171014 
 dr_opt[61][1] = -0.0191526 
 dr_opt[61][2] = -0.0229722 
 dr_opt[62][0] = -0.0526955 
 dr_opt[62][1] = -0.0991357 
 dr_opt[62][2] = 0.00705544 
 dr_opt[63][0] = -0.0719789 
 dr_opt[63][1] = -0.183332 
 dr_opt[63][2] = -0.0220762 
 dr_opt[64][0] = -0.0426002 
 dr_opt[64][1] = -0.0621391 
 dr_opt[64][2] = 0.101578 
 dr_opt[65][0] = -0.0874964 
 dr_opt[65][1] = 0.014415 
 dr_opt[65][2] = 0.111656 
 dr_opt[66][0] = -0.0784594 
 dr_opt[66][1] = 0.0831158 
 dr_opt[66][2] = 0.0769772 
 dr_opt[67][0] = -0.123356 
 dr_opt[67][1] = 0.159671 
 dr_opt[67][2] = 0.0870552 
 dr_opt[68][0] = 0 
 dr_opt[68][1] = 0 
 dr_opt[68][2] = 0 
 dr_opt[69][0] = 0 
 dr_opt[69][1] = 0 
 dr_opt[69][2] = 0 
 dr_opt[70][0] = 0 
 dr_opt[70][1] = 0 
 dr_opt[70][2] = 0 
 dr_opt[71][0] = 0 
 dr_opt[71][1] = 0 
 dr_opt[71][2] = 0 
 dr_opt[72][0] = 0 
 dr_opt[72][1] = 0 
 dr_opt[72][2] = 0 
 dr_opt[73][0] = 0 
 dr_opt[73][1] = 0 
 dr_opt[73][2] = 0 
 dr_opt[74][0] = 0 
 dr_opt[74][1] = 0 
 dr_opt[74][2] = 0 
 dr_opt[75][0] = 0 
 dr_opt[75][1] = 0 
 dr_opt[75][2] = 0 
 dr_opt[76][0] = 0 
 dr_opt[76][1] = 0 
 dr_opt[76][2] = 0 
 dr_opt[77][0] = 0 
 dr_opt[77][1] = 0 
 dr_opt[77][2] = 0 
 dr_opt[78][0] = 0 
 dr_opt[78][1] = 0 
 dr_opt[78][2] = 0 
 dr_opt[79][0] = 0 
 dr_opt[79][1] = 0 
 dr_opt[79][2] = 0 
 dr_opt[80][0] = -0.117252 
 dr_opt[80][1] = 0.111246 
 dr_opt[80][2] = -0.139163 
 dr_opt[81][0] = -0.0299563 
 dr_opt[81][1] = 0.0571285 
 dr_opt[81][2] = -0.158046 
 dr_opt[82][0] = 0.0913452 
 dr_opt[82][1] = 0.0204363 
 dr_opt[82][2] = -0.110365 
 dr_opt[83][0] = 0.178641 
 dr_opt[83][1] = -0.0336814 
 dr_opt[83][2] = -0.129248 
 dr_opt[84][0] = 0 
 dr_opt[84][1] = 0 
 dr_opt[84][2] = 0 
 dr_opt[85][0] = 0 
 dr_opt[85][1] = 0 
 dr_opt[85][2] = 0 
 dr_opt[86][0] = 0 
 dr_opt[86][1] = 0 
 dr_opt[86][2] = 0 
 dr_opt[87][0] = 0 
 dr_opt[87][1] = 0 
 dr_opt[87][2] = 0 
 dr_opt[88][0] = -0.00723049 
 dr_opt[88][1] = -0.00488368 
 dr_opt[88][2] = -0.0143409 
 dr_opt[89][0] = -0.0628814 
 dr_opt[89][1] = -0.0565075 
 dr_opt[89][2] = -0.0303158 
 dr_opt[90][0] = -0.104537 
 dr_opt[90][1] = -0.105753 
 dr_opt[90][2] = -0.00899485 
 dr_opt[91][0] = -0.160188 
 dr_opt[91][1] = -0.157377 
 dr_opt[91][2] = -0.0249696 
 dr_opt[92][0] = 0 
 dr_opt[92][1] = 0 
 dr_opt[92][2] = 0 
 dr_opt[93][0] = 0 
 dr_opt[93][1] = 0 
 dr_opt[93][2] = 0 
 dr_opt[94][0] = 0 
 dr_opt[94][1] = 0 
 dr_opt[94][2] = 0 
 dr_opt[95][0] = 0 
 dr_opt[95][1] = 0 
 dr_opt[95][2] = 0 
 dr_opt[96][0] = 0 
 dr_opt[96][1] = 0 
 dr_opt[96][2] = 0 
 dr_opt[97][0] = 0 
 dr_opt[97][1] = 0 
 dr_opt[97][2] = 0 
 dr_opt[98][0] = 0 
 dr_opt[98][1] = 0 
 dr_opt[98][2] = 0 
 dr_opt[99][0] = 0 
 dr_opt[99][1] = 0 
 dr_opt[99][2] = 0 
 dr_opt[100][0] = -0.100156 
 dr_opt[100][1] = -0.20583 
 dr_opt[100][2] = -0.113821 
 dr_opt[101][0] = -0.0350545 
 dr_opt[101][1] = -0.110547 
 dr_opt[101][2] = -0.0908981 
 dr_opt[102][0] = -0.0518419 
 dr_opt[102][1] = -0.0256129 
 dr_opt[102][2] = -0.136129 
 dr_opt[103][0] = 0.0132598 
 dr_opt[103][1] = 0.0696707 
 dr_opt[103][2] = -0.113205 
 dr_opt[104][0] = 0 
 dr_opt[104][1] = 0 
 dr_opt[104][2] = 0 
 dr_opt[105][0] = 0 
 dr_opt[105][1] = 0 
 dr_opt[105][2] = 0 
 dr_opt[106][0] = 0 
 dr_opt[106][1] = 0 
 dr_opt[106][2] = 0 
 dr_opt[107][0] = 0 
 dr_opt[107][1] = 0 
 dr_opt[107][2] = 0 
 dr_opt[108][0] = 0 
 dr_opt[108][1] = 0 
 dr_opt[108][2] = 0 
 dr_opt[109][0] = 0 
 dr_opt[109][1] = 0 
 dr_opt[109][2] = 0 
 dr_opt[110][0] = 0 
 dr_opt[110][1] = 0 
 dr_opt[110][2] = 0 
 dr_opt[111][0] = 0 
 dr_opt[111][1] = 0 
 dr_opt[111][2] = 0 
 dr_opt[112][0] = 0 
 dr_opt[112][1] = 0 
 dr_opt[112][2] = 0 
 dr_opt[113][0] = 0 
 dr_opt[113][1] = 0 
 dr_opt[113][2] = 0 
 dr_opt[114][0] = 0 
 dr_opt[114][1] = 0 
 dr_opt[114][2] = 0 
 dr_opt[115][0] = 0 
 dr_opt[115][1] = 0 
 dr_opt[115][2] = 0 
 dr_opt[116][0] = -0.155802 
 dr_opt[116][1] = -0.0272224 
 dr_opt[116][2] = -0.0418773 
 dr_opt[117][0] = -0.13647 
 dr_opt[117][1] = -0.037543 
 dr_opt[117][2] = -0.0403506 
 dr_opt[118][0] = -0.0843136 
 dr_opt[118][1] = -0.0521429 
 dr_opt[118][2] = -0.0294655 
 dr_opt[119][0] = -0.0649814 
 dr_opt[119][1] = -0.0624635 
 dr_opt[119][2] = -0.0279387 
 dr_opt[120][0] = -0.114817 
 dr_opt[120][1] = 0.17679 
 dr_opt[120][2] = 0.0875084 
 dr_opt[121][0] = -0.0325431 
 dr_opt[121][1] = 0.190948 
 dr_opt[121][2] = 0.0890326 
 dr_opt[122][0] = 0.0324844 
 dr_opt[122][1] = 0.202155 
 dr_opt[122][2] = 0.09018 
 dr_opt[123][0] = 0.11476 
 dr_opt[123][1] = 0.216313 
 dr_opt[123][2] = 0.0917042 
 dr_opt[124][0] = 0 
 dr_opt[124][1] = 0 
 dr_opt[124][2] = 0 
 dr_opt[125][0] = 0 
 dr_opt[125][1] = 0 
 dr_opt[125][2] = 0 
 dr_opt[126][0] = 0 
 dr_opt[126][1] = 0 
 dr_opt[126][2] = 0 
 dr_opt[127][0] = 0 
 dr_opt[127][1] = 0 
 dr_opt[127][2] = 0 
 dr_opt[128][0] = -0.0603768 
 dr_opt[128][1] = -0.0572124 
 dr_opt[128][2] = -0.095049 
 dr_opt[129][0] = 0.000236539 
 dr_opt[129][1] = 0.046244 
 dr_opt[129][2] = -0.0698699 
 dr_opt[130][0] = 0.0539807 
 dr_opt[130][1] = 0.144955 
 dr_opt[130][2] = -0.115511 
 dr_opt[131][0] = 0.114594 
 dr_opt[131][1] = 0.248411 
 dr_opt[131][2] = -0.0903316 
 dr_opt[132][0] = 0 
 dr_opt[132][1] = 0 
 dr_opt[132][2] = 0 
 dr_opt[133][0] = 0 
 dr_opt[133][1] = 0 
 dr_opt[133][2] = 0 
 dr_opt[134][0] = 0 
 dr_opt[134][1] = 0 
 dr_opt[134][2] = 0 
 dr_opt[135][0] = 0 
 dr_opt[135][1] = 0 
 dr_opt[135][2] = 0 
 dr_opt[136][0] = -0.0244517 
 dr_opt[136][1] = 0.0164361 
 dr_opt[136][2] = 0.0530574 
 dr_opt[137][0] = 0.0264374 
 dr_opt[137][1] = 0.0292471 
 dr_opt[137][2] = 0.057071 
 dr_opt[138][0] = 0.0230789 
 dr_opt[138][1] = 0.0383975 
 dr_opt[138][2] = 0.0523179 
 dr_opt[139][0] = 0.0739679 
 dr_opt[139][1] = 0.0512084 
 dr_opt[139][2] = 0.0563315 
 dr_opt[140][0] = -0.0523295 
 dr_opt[140][1] = 0.0186776 
 dr_opt[140][2] = -0.154737 
 dr_opt[141][0] = -0.0640018 
 dr_opt[141][1] = -0.0116327 
 dr_opt[141][2] = -0.160203 
 dr_opt[142][0] = -0.0412293 
 dr_opt[142][1] = -0.0404207 
 dr_opt[142][2] = -0.146847 
 dr_opt[143][0] = -0.0529016 
 dr_opt[143][1] = -0.0707311 
 dr_opt[143][2] = -0.152313 
 dr_opt[144][0] = 0.00848773 
 dr_opt[144][1] = -0.0212857 
 dr_opt[144][2] = 0.0275165 
 dr_opt[145][0] = 0.0639936 
 dr_opt[145][1] = -0.0168505 
 dr_opt[145][2] = 0.0283239 
 dr_opt[146][0] = 0.114879 
 dr_opt[146][1] = -0.0125579 
 dr_opt[146][2] = 0.0209224 
 dr_opt[147][0] = 0.170384 
 dr_opt[147][1] = -0.00812274 
 dr_opt[147][2] = 0.0217298 
 dr_opt[148][0] = 0 
 dr_opt[148][1] = 0 
 dr_opt[148][2] = 0 
 dr_opt[149][0] = 0 
 dr_opt[149][1] = 0 
 dr_opt[149][2] = 0 
 dr_opt[150][0] = 0 
 dr_opt[150][1] = 0 
 dr_opt[150][2] = 0 
 dr_opt[151][0] = 0 
 dr_opt[151][1] = 0 
 dr_opt[151][2] = 0 
 dr_opt[152][0] = 0 
 dr_opt[152][1] = 0 
 dr_opt[152][2] = 0 
 dr_opt[153][0] = 0 
 dr_opt[153][1] = 0 
 dr_opt[153][2] = 0 
 dr_opt[154][0] = 0 
 dr_opt[154][1] = 0 
 dr_opt[154][2] = 0 
 dr_opt[155][0] = 0 
 dr_opt[155][1] = 0 
 dr_opt[155][2] = 0 
 dr_opt[156][0] = 0.104 
 dr_opt[156][1] = 0.313404 
 dr_opt[156][2] = 0.0381214 
 dr_opt[157][0] = 0.0426563 
 dr_opt[157][1] = 0.205454 
 dr_opt[157][2] = 0.010079 
 dr_opt[158][0] = 0.0182234 
 dr_opt[158][1] = 0.113891 
 dr_opt[158][2] = 0.0553514 
 dr_opt[159][0] = -0.0431202 
 dr_opt[159][1] = 0.00594025 
 dr_opt[159][2] = 0.027309 
 n_atoms 160 dr2 0.0131966 opt_time 0.607072 opt_time_old 0.59048
   dr_max_old = 0.107179, efficiency_old = 0.657336 / cpu s
   dr_max = 0.117897, efficiency = 0.795361 / cpu s
   dr_max = 0.129687
   du_max = 0.0324218

Adjusting maximum size of molecule moves
 dr_opt[0][0] = 0 
 dr_opt[0][1] = 0 
 dr_opt[0][2] = 0 
 dr_opt[1][0] = 0 
 dr_opt[1][1] = 0 
 dr_opt[1][2] = 0 
 dr_opt[2][0] = 0 
 dr_opt[2][1] = 0 
 dr_opt[2][2] = 0 
 dr_opt[3][0] = 0 
 dr_opt[3][1] = 0 
 dr_opt[3][2] = 0 
 dr_opt[4][0] = 0 
 dr_opt[4][1] = 0 
 dr_opt[4][2] = 0 
 dr_opt[5][0] = 0 
 dr_opt[5][1] = 0 
 dr_opt[5][2] = 0 
 dr_opt[6][0] = 0 
 dr_opt[6][1] = 0 
 dr_opt[6][2] = 0 
 dr_opt[7][0] = 0 
 dr_opt[7][1] = 0 
 dr_opt[7][2] = 0 
 dr_opt[8][0] = 0 
 dr_opt[8][1] = 0 
 dr_opt[8][2] = 0 
 dr_opt[9][0] = 0 
 dr_opt[9][1] = 0 
 dr_opt[9][2] = 0 
 dr_opt[10][0] = 0 
 dr_opt[10][1] = 0 
 dr_opt[10][2] = 0 
 dr_opt[11][0] = 0 
 dr_opt[11][1] = 0 
 dr_opt[11][2] = 0 
 dr_opt[12][0] = -0.0421844 
 dr_opt[12][1] = 0.147013 
 dr_opt[12][2] = -0.0622505 
 dr_opt[13][0] = -0.0686087 
 dr_opt[13][1] = 0.0320952 
 dr_opt[13][2] = -0.0975798 
 dr_opt[14][0] = -0.0306646 
 dr_opt[14][1] = -0.0872596 
 dr_opt[14][2] = -0.0620093 
 dr_opt[15][0] = -0.0570889 
 dr_opt[15][1] = -0.20218 
 dr_opt[15][2] = -0.0973388 
 dr_opt[16][0] = 0.264721 
 dr_opt[16][1] = 0.0393558 
 dr_opt[16][2] = -0.0636094 
 dr_opt[17][0] = 0.155836 
 dr_opt[17][1] = -0.0234459 
 dr_opt[17][2] = -0.0804119 
 dr_opt[18][0] = 0.0497203 
 dr_opt[18][1] = -0.0850375 
 dr_opt[18][2] = -0.0520087 
 dr_opt[19][0] = -0.0591665 
 dr_opt[19][1] = -0.147841 
 dr_opt[19][2] = -0.0688109 
 dr_opt[20][0] = -0.22659 
 dr_opt[20][1] = 0.177656 
 dr_opt[20][2] = 0.0561897 
 dr_opt[21][0] = -0.150713 
 dr_opt[21][1] = 0.0900398 
 dr_opt[21][2] = 0.0283333 
 dr_opt[22][0] = -0.0291874 
 dr_opt[22][1] = 0.00193681 
 dr_opt[22][2] = 0.0679512 
 dr_opt[23][0] = 0.0466895 
 dr_opt[23][1] = -0.0856794 
 dr_opt[23][2] = 0.0400953 
 dr_opt[24][0] = 0 
 dr_opt[24][1] = 0 
 dr_opt[24][2] = 0 
 dr_opt[25][0] = 0 
 dr_opt[25][1] = 0 
 dr_opt[25][2] = 0 
 dr_opt[26][0] = 0 
 dr_opt[26][1] = 0 
 dr_opt[26][2] = 0 
 dr_opt[27][0] = 0 
 dr_opt[27][1] = 0 
 dr_opt[27][2] = 0 
 dr_opt[28][0] = 0.149931 
 dr_opt[28][1] = -0.284442 
 dr_opt[28][2] = -0.0468094 
 dr_opt[29][0] = 0.145589 
 dr_opt[29][1] = -0.146946 
 dr_opt[29][2] = -0.0187431 
 dr_opt[30][0] = 0.0630463 
 dr_opt[30][1] = -0.021957 
 dr_opt[30][2] = -0.0763554 
 dr_opt[31][0] = 0.0587037 
 dr_opt[31][1] = 0.115539 
 dr_opt[31][2] = -0.0482891 
 dr_opt[32][0] = 0 
 dr_opt[32][1] = 0 
 dr_opt[32][2] = 0 
 dr_opt[33][0] = 0 
 dr_opt[33][1] = 0 
 dr_opt[33][2] = 0 
 dr_opt[34][0] = 0 
 dr_opt[34][1] = 0 
 dr_opt[34][2] = 0 
 dr_opt[35][0] = 0 
 dr_opt[35][1] = 0 
 dr_opt[35][2] = 0 
 dr_opt[36][0] = 0 
 dr_opt[36][1] = 0 
 dr_opt[36][2] = 0 
 dr_opt[37][0] = 0 
 dr_opt[37][1] = 0 
 dr_opt[37][2] = 0 
 dr_opt[38][0] = 0 
 dr_opt[38][1] = 0 
 dr_opt[38][2] = 0 
 dr_opt[39][0] = 0 
 dr_opt[39][1] = 0 
 dr_opt[39][2] = 0 
 dr_opt[40][0] = -0.198037 
 dr_opt[40][1] = 0.245294 
 dr_opt[40][2] = 0.0352907 
 dr_opt[41][0] = -0.0724295 
 dr_opt[41][1] = 0.145286 
 dr_opt[41][2] = -0.0134679 
 dr_opt[42][0] = 0.00714885 
 dr_opt[42][1] = 0.0417515 
 dr_opt[42][2] = 0.021938 
 dr_opt[43][0] = 0.132757 
 dr_opt[43][1] = -0.058256 
 dr_opt[43][2] = -0.02682 
 dr_opt[44][0] = 0 
 dr_opt[44][1] = 0 
 dr_opt[44][2] = 0 
 dr_opt[45][0] = 0 
 dr_opt[45][1] = 0 
 dr_opt[45][2] = 0 
 dr_opt[46][0] = 0 
 dr_opt[46][1] = 0 
 dr_opt[46][2] = 0 
 dr_opt[47][0] = 0 
 dr_opt[47][1] = 0 
 dr_opt[47][2] = 0 
 dr_opt[48][0] = 0 
 dr_opt[48][1] = 0 
 dr_opt[48][2] = 0 
 dr_opt[49][0] = 0 
 dr_opt[49][1] = 0 
 dr_opt[49][2] = 0 
 dr_opt[50][0] = 0 
 dr_opt[50][1] = 0 
 dr_opt[50][2] = 0 
 dr_opt[51][0] = 0 
 dr_opt[51][1] = 0 
 dr_opt[51][2] = 0 
 dr_opt[52][0] = 0 
 dr_opt[52][1] = 0 
 dr_opt[52][2] = 0 
 dr_opt[53][0] = 0 
 dr_opt[53][1] = 0 
 dr_opt[53][2] = 0 
 dr_opt[54][0] = 0 
 dr_opt[54][1] = 0 
 dr_opt[54][2] = 0 
 dr_opt[55][0] = 0 
 dr_opt[55][1] = 0 
 dr_opt[55][2] = 0 
 dr_opt[56][0] = -0.0252765 
 dr_opt[56][1] = -0.0769291 
 dr_opt[56][2] = 0.0441962 
 dr_opt[57][0] = 0.0402442 
 dr_opt[57][1] = 0.0115539 
 dr_opt[57][2] = 0.0730203 
 dr_opt[58][0] = 0.0450531 
 dr_opt[58][1] = 0.0987089 
 dr_opt[58][2] = 0.0358863 
 dr_opt[59][0] = 0.110574 
 dr_opt[59][1] = 0.187192 
 dr_opt[59][2] = 0.0647103 
 dr_opt[60][0] = 0 
 dr_opt[60][1] = 0 
 dr_opt[60][2] = 0 
 dr_opt[61][0] = 0 
 dr_opt[61][1] = 0 
 dr_opt[61][2] = 0 
 dr_opt[62][0] = 0 
 dr_opt[62][1] = 0 
 dr_opt[62][2] = 0 
 dr_opt[63][0] = 0 
 dr_opt[63][1] = 0 
 dr_opt[63][2] = 0 
 dr_opt[64][0] = 0 
 dr_opt[64][1] = 0 
 dr_opt[64][2] = 0 
 dr_opt[65][0] = 0 
 dr_opt[65][1] = 0 
 dr_opt[65][2] = 0 
 dr_opt[66][0] = 0 
 dr_opt[66][1] = 0 
 dr_opt[66][2] = 0 
 dr_opt[67][0] = 0 
 dr_opt[67][1] = 0 
 dr_opt[67][2] = 0 
 dr_opt[68][0] = 0 
 dr_opt[68][1] = 0 
 dr_opt[68][2] = 0 
 dr_opt[69][0] = 0 
 dr_opt[69][1] = 0 
 dr_opt[69][2] = 0 
 dr_opt[70][0] = 0 
 dr_opt[70][1] = 0 
 dr_opt[70][2] = 0 
 dr_opt[71][0] = 0 
 dr_opt[71][1] = 0 
 dr_opt[71][2] = 0 
 dr_opt[72][0] = 0 
 dr_opt[72][1] = 0 
 dr_opt[72][2] = 0 
 dr_opt[73][0] = 0 
 dr_opt[73][1] = 0 
 dr_opt[73][2] = 0 
 dr_opt[74][0] = 0 
 dr_opt[74][1] = 0 
 dr_opt[74][2] = 0 
 dr_opt[75][0] = 0 
 dr_opt[75][1] = 0 
 dr_opt[75][2] = 0 
 dr_opt[76][0] = 0 
 dr_opt[76][1] = 0 
 dr_opt[76][2] = 0 
 dr_opt[77][0] = 0 
 dr_opt[77][1] = 0 
 dr_opt[77][2] = 0 
 dr_opt[78][0] = 0 
 dr_opt[78][1] = 0 
 dr_opt[78][2] = 0 
 dr_opt[79][0] = 0 
 dr_opt[79][1] = 0 
 dr_opt[79][2] = 0 
 dr_opt[80][0] = 0 
 dr_opt[80][1] = 0 
 dr_opt[80][2] = 0 
 dr_opt[81][0] = 0 
 dr_opt[81][1] = 0 
 dr_opt[81][2] = 0 
 dr_opt[82][0] = 0 
 dr_opt[82][1] = 0 
 dr_opt[82][2] = 0 
 dr_opt[83][0] = 0 
 dr_opt[83][1] = 0 
 dr_opt[83][2] = 0 
 dr_opt[84][0] = 0 
 dr_opt[84][1] = 0 
 dr_opt[84][2] = 0 
 dr_opt[85][0] = 0 
 dr_opt[85][1] = 0 
 dr_opt[85][2] = 0 
 dr_opt[86][0] = 0 
 dr_opt[86][1] = 0 
 dr_opt[86][2] = 0 
 dr_opt[87][0] = 0 
 dr_opt[87][1] = 0 
 dr_opt[87][2] = 0 
 dr_opt[88][0] = 0 
 dr_opt[88][1] = 0 
 dr_opt[88][2] = 0 
 dr_opt[89][0] = 0 
 dr_opt[89][1] = 0 
 dr_opt[89][2] = 0 
 dr_opt[90][0] = 0 
 dr_opt[90][1] = 0 
 dr_opt[90][2] = 0 
 dr_opt[91][0] = 0 
 dr_opt[91][1] = 0 
 dr_opt[91][2] = 0 
 dr_opt[92][0] = -0.00247806 
 dr_opt[92][1] = -0.1252 
 dr_opt[92][2] = 0.108292 
 dr_opt[93][0] = 0.00602645 
 dr_opt[93][1] = -0.0802164 
 dr_opt[93][2] = 0.132716 
 dr_opt[94][0] = -0.00708592 
 dr_opt[94][1] = -0.0267817 
 dr_opt[94][2] = 0.118417 
 dr_opt[95][0] = 0.00141843 
 dr_opt[95][1] = 0.0182016 
 dr_opt[95][2] = 0.142841 
 dr_opt[96][0] = 0.13245 
 dr_opt[96][1] = 0.156467 
 dr_opt[96][2] = 0.00327174 
 dr_opt[97][0] = -0.0288263 
 dr_opt[97][1] = 0.0909124 
 dr_opt[97][2] = -0.0176153 
 dr_opt[98][0] = -0.104524 
 dr_opt[98][1] = 0.0159413 
 dr_opt[98][2] = 0.0186574 
 dr_opt[99][0] = -0.265797 
 dr_opt[99][1] = -0.049612 
 dr_opt[99][2] = -0.00222928 
 dr_opt[100][0] = -0.191086 
 dr_opt[100][1] = 0.231496 
 dr_opt[100][2] = 0.0757122 
 dr_opt[101][0] = -0.101632 
 dr_opt[101][1] = 0.143974 
 dr_opt[101][2] = 0.0559426 
 dr_opt[102][0] = 0.0138556 
 dr_opt[102][1] = 0.0659331 
 dr_opt[102][2] = 0.0990104 
 dr_opt[103][0] = 0.10331 
 dr_opt[103][1] = -0.0215892 
 dr_opt[103][2] = 0.0792408 
 dr_opt[104][0] = -0.0669451 
 dr_opt[104][1] = 0.127017 
 dr_opt[104][2] = -0.0454361 
 dr_opt[105][0] = -0.0752502 
 dr_opt[105][1] = 0.0810718 
 dr_opt[105][2] = -0.0602524 
 dr_opt[106][0] = 0.000864408 
 dr_opt[106][1] = 0.0429648 
 dr_opt[106][2] = -0.0476265 
 dr_opt[107][0] = -0.00744065 
 dr_opt[107][1] = -0.00298077 
 dr_opt[107][2] = -0.0624428 
 dr_opt[108][0] = 0 
 dr_opt[108][1] = 0 
 dr_opt[108][2] = 0 
 dr_opt[109][0] = 0 
 dr_opt[109][1] = 0 
 dr_opt[109][2] = 0 
 dr_opt[110][0] = 0 
 dr_opt[110][1] = 0 
 dr_opt[110][2] = 0 
 dr_opt[111][0] = 0 
 dr_opt[111][1] = 0 
 dr_opt[111][2] = 0 
 dr_opt[112][0] = 0.0949469 
 dr_opt[112][1] = -0.107993 
 dr_opt[112][2] = -0.0314323 
 dr_opt[113][0] = 0.0856161 
 dr_opt[113][1] = -0.107382 
 dr_opt[113][2] = -0.0315249 
 dr_opt[114][0] = 0.0893412 
 dr_opt[114][1] = -0.106094 
 dr_opt[114][2] = -0.0318278 
 dr_opt[115][0] = 0.0800104 
 dr_opt[115][1] = -0.105483 
 dr_opt[115][2] = -0.0319204 
 dr_opt[116][0] = 0 
 dr_opt[116][1] = 0 
 dr_opt[116][2] = 0 
 dr_opt[117][0] = 0 
 dr_opt[117][1] = 0 
 dr_opt[117][2] = 0 
 dr_opt[118][0] = 0 
 dr_opt[118][1] = 0 
 dr_opt[118][2] = 0 
 dr_opt[119][0] = 0 
 dr_opt[119][1] = 0 
 dr_opt[119][2] = 0 
 dr_opt[120][0] = -0.31674 
 dr_opt[120][1] = -0.157639 
 dr_opt[120][2] = 0.0983448 
 dr_opt[121][0] = -0.156062 
 dr_opt[121][1] = -0.0423964 
 dr_opt[121][2] = 0.116968 
 dr_opt[122][0] = 0.00343031 
 dr_opt[122][1] = 0.0701478 
 dr_opt[122][2] = 0.0740571 
 dr_opt[123][0] = 0.164112 
 dr_opt[123][1] = 0.185393 
 dr_opt[123][2] = 0.0926805 
 dr_opt[124][0] = 0 
 dr_opt[124][1] = 0 
 dr_opt[124][2] = 0 
 dr_opt[125][0] = 0 
 dr_opt[125][1] = 0 
 dr_opt[125][2] = 0 
 dr_opt[126][0] = 0 
 dr_opt[126][1] = 0 
 dr_opt[126][2] = 0 
 dr_opt[127][0] = 0 
 dr_opt[127][1] = 0 
 dr_opt[127][2] = 0 
 dr_opt[128][0] = 0.0320883 
 dr_opt[128][1] = -0.144088 
 dr_opt[128][2] = 0.0288398 
 dr_opt[129][0] = -0.0345262 
 dr_opt[129][1] = -0.0550638 
 dr_opt[129][2] = 0.0555458 
 dr_opt[130][0] = 0.00771589 
 dr_opt[130][1] = 0.0283355 
 dr_opt[130][2] = 0.0107528 
 dr_opt[131][0] = -0.0588987 
 dr_opt[131][1] = 0.117359 
 dr_opt[131][2] = 0.0374588 
 dr_opt[132][0] = -0.134501 
 dr_opt[132][1] = 0.145258 
 dr_opt[132][2] = 0.0187553 
 dr_opt[133][0] = -0.124992 
 dr_opt[133][1] = -0.0270624 
 dr_opt[133][2] = -0.0311102 
 dr_opt[134][0] = -0.1226 
 dr_opt[134][1] = -0.190345 
 dr_opt[134][2] = 0.0433662 
 dr_opt[135][0] = -0.11309 
 dr_opt[135][1] = -0.362669 
 dr_opt[135][2] = -0.00649838 
 dr_opt[136][0] = -0.141622 
 dr_opt[136][1] = 0.37844 
 dr_opt[136][2] = -0.00779754 
 dr_opt[137][0] = 0.0704574 
 dr_opt[137][1] = 0.230523 
 dr_opt[137][2] = -0.0594449 
 dr_opt[138][0] = 0.281904 
 dr_opt[138][1] = 0.0913204 
 dr_opt[138][2] = 0.0036351 
 dr_opt[139][0] = 0.493983 
 dr_opt[139][1] = -0.0565965 
 dr_opt[139][2] = -0.0480123 
 dr_opt[140][0] = 0.27838 
 dr_opt[140][1] = -0.11448 
 dr_opt[140][2] = 0.0503565 
 dr_opt[141][0] = 0.188034 
 dr_opt[141][1] = -0.0855637 
 dr_opt[141][2] = 0.059627 
 dr_opt[142][0] = 0.128112 
 dr_opt[142][1] = -0.0611488 
 dr_opt[142][2] = 0.0517889 
 dr_opt[143][0] = 0.0377662 
 dr_opt[143][1] = -0.0322327 
 dr_opt[143][2] = 0.0610594 
 dr_opt[144][0] = 0 
 dr_opt[144][1] = 0 
 dr_opt[144][2] = 0 
 dr_opt[145][0] = 0 
 dr_opt[145][1] = 0 
 dr_opt[145][2] = 0 
 dr_opt[146][0] = 0 
 dr_opt[146][1] = 0 
 dr_opt[146][2] = 0 
 dr_opt[147][0] = 0 
 dr_opt[147][1] = 0 
 dr_opt[147][2] = 0 
 dr_opt[148][0] = 0 
 dr_opt[148][1] = 0 
 dr_opt[148][2] = 0 
 dr_opt[149][0] = 0 
 dr_opt[149][1] = 0 
 dr_opt[149][2] = 0 
 dr_opt[150][0] = 0 
 dr_opt[150][1] = 0 
 dr_opt[150][2] = 0 
 dr_opt[151][0] = 0 
 dr_opt[151][1] = 0 
 dr_opt[151][2] = 0 
 dr_opt[152][0] = 0.0358112 
 dr_opt[152][1] = 0.0543188 
 dr_opt[152][2] = 0.0393833 
 dr_opt[153][0] = 0.0747202 
 dr_opt[153][1] = 0.07141 
 dr_opt[153][2] = 0.0447449 
 dr_opt[154][0] = 0.0504112 
 dr_opt[154][1] = 0.0984214 
 dr_opt[154][2] = 0.0364558 
 dr_opt[155][0] = 0.0893199 
 dr_opt[155][1] = 0.115512 
 dr_opt[155][2] = 0.0418174 
 dr_opt[156][0] = 0.217869 
 dr_opt[156][1] = 0.00259835 
 dr_opt[156][2] = -0.0636537 
 dr_opt[157][0] = 0.13639 
 dr_opt[157][1] = -0.058523 
 dr_opt[157][2] = -0.0902856 
 dr_opt[158][0] = 0.086433 
 dr_opt[158][1] = -0.111755 
 dr_opt[158][2] = -0.074776 
 dr_opt[159][0] = 0.00495384 
 dr_opt[159][1] = -0.172876 
 dr_opt[159][2] = -0.101408 
 n_atoms 160 dr2 0.0175358 opt_time 0.625616 opt_time_old 0.607072
   dr_max_old = 0.117897, efficiency_old = 0.795361 / cpu s
   dr_max = 0.129687, efficiency = 0.945634 / cpu s
   dr_max = 0.142656
   du_max = 0.035664

Adjusting maximum size of molecule moves
 dr_opt[0][0] = -0.0960184 
 dr_opt[0][1] = -0.0515408 
 dr_opt[0][2] = -0.130027 
 dr_opt[1][0] = -0.0315517 
 dr_opt[1][1] = -0.0363123 
 dr_opt[1][2] = -0.1175 
 dr_opt[2][0] = 0.00994006 
 dr_opt[2][1] = -0.0206437 
 dr_opt[2][2] = -0.118311 
 dr_opt[3][0] = 0.0744079 
 dr_opt[3][1] = -0.00541483 
 dr_opt[3][2] = -0.105783 
 dr_opt[4][0] = 0 
 dr_opt[4][1] = 0 
 dr_opt[4][2] = 0 
 dr_opt[5][0] = 0 
 dr_opt[5][1] = 0 
 dr_opt[5][2] = 0 
 dr_opt[6][0] = 0 
 dr_opt[6][1] = 0 
 dr_opt[6][2] = 0 
 dr_opt[7][0] = 0 
 dr_opt[7][1] = 0 
 dr_opt[7][2] = 0 
 dr_opt[8][0] = 0 
 dr_opt[8][1] = 0 
 dr_opt[8][2] = 0 
 dr_opt[9][0] = 0 
 dr_opt[9][1] = 0 
 dr_opt[9][2] = 0 
 dr_opt[10][0] = 0 
 dr_opt[10][1] = 0 
 dr_opt[10][2] = 0 
 dr_opt[11][0] = 0 
 dr_opt[11][1] = 0 
 dr_opt[11][2] = 0 
 dr_opt[12][0] = 0 
 dr_opt[12][1] = 0 
 dr_opt[12][2] = 0 
 dr_opt[13][0] = 0 
 dr_opt[13][1] = 0 
 dr_opt[13][2] = 0 
 dr_opt[14][0] = 0 
 dr_opt[14][1] = 0 
 dr_opt[14][2] = 0 
 dr_opt[15][0] = 0 
 dr_opt[15][1] = 0 
 dr_opt[15][2] = 0 
 dr_opt[16][0] = -0.0978774 
 dr_opt[16][1] = -0.0297232 
 dr_opt[16][2] = -0.085655 
 dr_opt[17][0] = 0.0346144 
 dr_opt[17][1] = -0.102898 
 dr_opt[17][2] = -0.119116 
 dr_opt[18][0] = 0.153806 
 dr_opt[18][1] = -0.176677 
 dr_opt[18][2] = -0.097931 
 dr_opt[19][0] = 0.286301 
 dr_opt[19][1] = -0.249854 
 dr_opt[19][2] = -0.131392 
 dr_opt[20][0] = 0 
 dr_opt[20][1] = 0 
 dr_opt[20][2] = 0 
 dr_opt[21][0] = 0 
 dr_opt[21][1] = 0 
 dr_opt[21][2] = 0 
 dr_opt[22][0] = 0 
 dr_opt[22][1] = 0 
 dr_opt[22][2] = 0 
 dr_opt[23][0] = 0 
 dr_opt[23][1] = 0 
 dr_opt[23][2] = 0 
 dr_opt[24][0] = 0 
 dr_opt[24][1] = 0 
 dr_opt[24][2] = 0 
 dr_opt[25][0] = 0 
 dr_opt[25][1] = 0 
 dr_opt[25][2] = 0 
 dr_opt[26][0] = 0 
 dr_opt[26][1] = 0 
 dr_opt[26][2] = 0 
 dr_opt[27][0] = 0 
 dr_opt[27][1] = 0 
 dr_opt[27][2] = 0 
 dr_opt[28][0] = 0.263748 
 dr_opt[28][1] = -0.037682 
 dr_opt[28][2] = -0.0865029 
 dr_opt[29][0] = 0.194275 
 dr_opt[29][1] = -0.10097 
 dr_opt[29][2] = -0.0911852 
 dr_opt[30][0] = 0.0780826 
 dr_opt[30][1] = -0.157844 
 dr_opt[30][2] = -0.0488729 
 dr_opt[31][0] = 0.0086093 
 dr_opt[31][1] = -0.221132 
 dr_opt[31][2] = -0.0535552 
 dr_opt[32][0] = 0 
 dr_opt[32][1] = 0 
 dr_opt[32][2] = 0 
 dr_opt[33][0] = 0 
 dr_opt[33][1] = 0 
 dr_opt[33][2] = 0 
 dr_opt[34][0] = 0 
 dr_opt[34][1] = 0 
 dr_opt[34][2] = 0 
 dr_opt[35][0] = 0 
 dr_opt[35][1] = 0 
 dr_opt[35][2] = 0 
 dr_opt[36][0] = -0.0778495 
 dr_opt[36][1] = 0.323136 
 dr_opt[36][2] = 0.106396 
 dr_opt[37][0] = -0.0960564 
 dr_opt[37][1] = 0.279997 
 dr_opt[37][2] = 0.0858522 
 dr_opt[38][0] = -0.0530782 
 dr_opt[38][1] = 0.232795 
 dr_opt[38][2] = 0.104176 
 dr_opt[39][0] = -0.0712855 
 dr_opt[39][1] = 0.189656 
 dr_opt[39][2] = 0.0836318 
 dr_opt[40][0] = -0.331978 
 dr_opt[40][1] = -0.0927109 
 dr_opt[40][2] = -0.207177 
 dr_opt[41][0] = -0.169832 
 dr_opt[41][1] = 0.063639 
 dr_opt[41][2] = -0.184854 
 dr_opt[42][0] = -0.0495203 
 dr_opt[42][1] = 0.214098 
 dr_opt[42][2] = -0.256278 
 dr_opt[43][0] = 0.112626 
 dr_opt[43][1] = 0.370448 
 dr_opt[43][2] = -0.233955 
 dr_opt[44][0] = -0.0536449 
 dr_opt[44][1] = -0.144785 
 dr_opt[44][2] = 0.0792527 
 dr_opt[45][0] = -0.0235117 
 dr_opt[45][1] = -0.0176773 
 dr_opt[45][2] = 0.0850398 
 dr_opt[46][0] = 0.0130578 
 dr_opt[46][1] = 0.0882243 
 dr_opt[46][2] = 0.0060719 
 dr_opt[47][0] = 0.043191 
 dr_opt[47][1] = 0.215332 
 dr_opt[47][2] = 0.011859 
 dr_opt[48][0] = 0 
 dr_opt[48][1] = 0 
 dr_opt[48][2] = 0 
 dr_opt[49][0] = 0 
 dr_opt[49][1] = 0 
 dr_opt[49][2] = 0 
 dr_opt[50][0] = 0 
 dr_opt[50][1] = 0 
 dr_opt[50][2] = 0 
 dr_opt[51][0] = 0 
 dr_opt[51][1] = 0 
 dr_opt[51][2] = 0 
 dr_opt[52][0] = 0 
 dr_opt[52][1] = 0 
 dr_opt[52][2] = 0 
 dr_opt[53][0] = 0 
 dr_opt[53][1] = 0 
 dr_opt[53][2] = 0 
 dr_opt[54][0] = 0 
 dr_opt[54][1] = 0 
 dr_opt[54][2] = 0 
 dr_opt[55][0] = 0 
 dr_opt[55][1] = 0 
 dr_opt[55][2] = 0 
 dr_opt[56][0] = 0 
 dr_opt[56][1] = 0 
 dr_opt[56][2] = 0 
 dr_opt[57][0] = 0 
 dr_opt[57][1] = 0 
 dr_opt[57][2] = 0 
 dr_opt[58][0] = 0 
 dr_opt[58][1] = 0 
 dr_opt[58][2] = 0 
 dr_opt[59][0] = 0 
 dr_opt[59][1] = 0 
 dr_opt[59][2] = 0 
 dr_opt[60][0] = 0.299335 
 dr_opt[60][1] = -0.0266205 
 dr_opt[60][2] = 0.15647 
 dr_opt[61][0] = 0.151139 
 dr_opt[61][1] = 0.0436063 
 dr_opt[61][2] = 0.141752 
 dr_opt[62][0] = 0.051937 
 dr_opt[62][1] = 0.107872 
 dr_opt[62][2] = 0.0960825 
 dr_opt[63][0] = -0.0962559 
 dr_opt[63][1] = 0.178097 
 dr_opt[63][2] = 0.0813657 
 dr_opt[64][0] = 0 
 dr_opt[64][1] = 0 
 dr_opt[64][2] = 0 
 dr_opt[65][0] = 0 
 dr_opt[65][1] = 0 
 dr_opt[65][2] = 0 
 dr_opt[66][0] = 0 
 dr_opt[66][1] = 0 
 dr_opt[66][2] = 0 
 dr_opt[67][0] = 0 
 dr_opt[67][1] = 0 
 dr_opt[67][2] = 0 
 dr_opt[68][0] = 0 
 dr_opt[68][1] = 0 
 dr_opt[68][2] = 0 
 dr_opt[69][0] = 0 
 dr_opt[69][1] = 0 
 dr_opt[69][2] = 0 
 dr_opt[70][0] = 0 
 dr_opt[70][1] = 0 
 dr_opt[70][2] = 0 
 dr_opt[71][0] = 0 
 dr_opt[71][1] = 0 
 dr_opt[71][2] = 0 
 dr_opt[72][0] = 0 
 dr_opt[72][1] = 0 
 dr_opt[72][2] = 0 
 dr_opt[73][0] = 0 
 dr_opt[73][1] = 0 
 dr_opt[73][2] = 0 
 dr_opt[74][0] = 0 
 dr_opt[74][1] = 0 
 dr_opt[74][2] = 0 
 dr_opt[75][0] = 0 
 dr_opt[75][1] = 0 
 dr_opt[75][2] = 0 
 dr_opt[76][0] = 0 
 dr_opt[76][1] = 0 
 dr_opt[76][2] = 0 
 dr_opt[77][0] = 0 
 dr_opt[77][1] = 0 
 dr_opt[77][2] = 0 
 dr_opt[78][0] = 0 
 dr_opt[78][1] = 0 
 dr_opt[78][2] = 0 
 dr_opt[79][0] = 0 
 dr_opt[79][1] = 0 
 dr_opt[79][2] = 0 
 dr_opt[80][0] = 0 
 dr_opt[80][1] = 0 
 dr_opt[80][2] = 0 
 dr_opt[81][0] = 0 
 dr_opt[81][1] = 0 
 dr_opt[81][2] = 0 
 dr_opt[82][0] = 0 
 dr_opt[82][1] = 0 
 dr_opt[82][2] = 0 
 dr_opt[83][0] = 0 
 dr_opt[83][1] = 0 
 dr_opt[83][2] = 0 
 dr_opt[84][0] = 0 
 dr_opt[84][1] = 0 
 dr_opt[84][2] = 0 
 dr_opt[85][0] = 0 
 dr_opt[85][1] = 0 
 dr_opt[85][2] = 0 
 dr_opt[86][0] = 0 
 dr_opt[86][1] = 0 
 dr_opt[86][2] = 0 
 dr_opt[87][0] = 0 
 dr_opt[87][1] = 0 
 dr_opt[87][2] = 0 
 dr_opt[88][0] = 0 
 dr_opt[88][1] = 0 
 dr_opt[88][2] = 0 
 dr_opt[89][0] = 0 
 dr_opt[89][1] = 0 
 dr_opt[89][2] = 0 
 dr_opt[90][0] = 0 
 dr_opt[90][1] = 0 
 dr_opt[90][2] = 0 
 dr_opt[91][0] = 0 
 dr_opt[91][1] = 0 
 dr_opt[91][2] = 0 
 dr_opt[92][0] = 0 
 dr_opt[92][1] = 0 
 dr_opt[92][2] = 0 
 dr_opt[93][0] = 0 
 dr_opt[93][1] = 0 
 dr_opt[93][2] = 0 
 dr_opt[94][0] = 0 
 dr_opt[94][1] = 0 
 dr_opt[94][2] = 0 
 dr_opt[95][0] = 0 
 dr_opt[95][1] = 0 
 dr_opt[95][2] = 0 
 dr_opt[96][0] = 0.0891129 
 dr_opt[96][1] = -0.23696 
 dr_opt[96][2] = -0.0989824 
 dr_opt[97][0] = 0.144753 
 dr_opt[97][1] = -0.171809 
 dr_opt[97][2] = -0.0756936 
 dr_opt[98][0] = 0.114654 
 dr_opt[98][1] = -0.0969159 
 dr_opt[98][2] = -0.102035 
 dr_opt[99][0] = 0.170293 
 dr_opt[99][1] = -0.0317656 
 dr_opt[99][2] = -0.0787471 
 dr_opt[100][0] = 0 
 dr_opt[100][1] = 0 
 dr_opt[100][2] = 0 
 dr_opt[101][0] = 0 
 dr_opt[101][1] = 0 
 dr_opt[101][2] = 0 
 dr_opt[102][0] = 0 
 dr_opt[102][1] = 0 
 dr_opt[102][2] = 0 
 dr_opt[103][0] = 0 
 dr_opt[103][1] = 0 
 dr_opt[103][2] = 0 
 dr_opt[104][0] = 0 
 dr_opt[104][1] = 0 
 dr_opt[104][2] = 0 
 dr_opt[105][0] = 0 
 dr_opt[105][1] = 0 
 dr_opt[105][2] = 0 
 dr_opt[106][0] = 0 
 dr_opt[106][1] = 0 
 dr_opt[106][2] = 0 
 dr_opt[107][0] = 0 
 dr_opt[107][1] = 0 
 dr_opt[107][2] = 0 
 dr_opt[108][0] = 0 
 dr_opt[108][1] = 0 
 dr_opt[108][2] = 0 
 dr_opt[109][0] = 0 
 dr_opt[109][1] = 0 
 dr_opt[109][2] = 0 
 dr_opt[110][0] = 0 
 dr_opt[110][1] = 0 
 dr_opt[110][2] = 0 
 dr_opt[111][0] = 0 
 dr_opt[111][1] = 0 
 dr_opt[111][2] = 0 
 dr_opt[112][0] = -0.0928176 
 dr_opt[112][1] = 0.129428 
 dr_opt[112][2] = -0.0358081 
 dr_opt[113][0] = -0.0636921 
 dr_opt[113][1] = 0.0464628 
 dr_opt[113][2] = -0.0614126 
 dr_opt[114][0] = -0.0763694 
 dr_opt[114][1] = -0.036546 
 dr_opt[114][2] = -0.0281599 
 dr_opt[115][0] = -0.0472439 
 dr_opt[115][1] = -0.119511 
 dr_opt[115][2] = -0.0537644 
 dr_opt[116][0] = 0.016013 
 dr_opt[116][1] = -0.159325 
 dr_opt[116][2] = 0.198762 
 dr_opt[117][0] = 0.00280665 
 dr_opt[117][1] = -0.0838889 
 dr_opt[117][2] = 0.206666 
 dr_opt[118][0] = 0.0336446 
 dr_opt[118][1] = -0.0263867 
 dr_opt[118][2] = 0.171467 
 dr_opt[119][0] = 0.0204383 
 dr_opt[119][1] = 0.0490499 
 dr_opt[119][2] = 0.179371 
 dr_opt[120][0] = 0.0751357 
 dr_opt[120][1] = -0.0217715 
 dr_opt[120][2] = 0.113127 
 dr_opt[121][0] = -0.0560548 
 dr_opt[121][1] = -0.0781188 
 dr_opt[121][2] = 0.111402 
 dr_opt[122][0] = -0.181355 
 dr_opt[122][1] = -0.132152 
 dr_opt[122][2] = 0.133052 
 dr_opt[123][0] = -0.312549 
 dr_opt[123][1] = -0.1885 
 dr_opt[123][2] = 0.131326 
 dr_opt[124][0] = 0 
 dr_opt[124][1] = 0 
 dr_opt[124][2] = 0 
 dr_opt[125][0] = 0 
 dr_opt[125][1] = 0 
 dr_opt[125][2] = 0 
 dr_opt[126][0] = 0 
 dr_opt[126][1] = 0 
 dr_opt[126][2] = 0 
 dr_opt[127][0] = 0 
 dr_opt[127][1] = 0 
 dr_opt[127][2] = 0 
 dr_opt[128][0] = 0.0722894 
 dr_opt[128][1] = 0.203987 
 dr_opt[128][2] = 0.0873773 
 dr_opt[129][0] = 0.0825543 
 dr_opt[129][1] = 0.168087 
 dr_opt[129][2] = 0.0786407 
 dr_opt[130][0] = 0.167258 
 dr_opt[130][1] = 0.131369 
 dr_opt[130][2] = 0.0886018 
 dr_opt[131][0] = 0.177523 
 dr_opt[131][1] = 0.0954693 
 dr_opt[131][2] = 0.0798652 
 dr_opt[132][0] = 0.177142 
 dr_opt[132][1] = -0.187259 
 dr_opt[132][2] = -0.0161694 
 dr_opt[133][0] = 0.0581138 
 dr_opt[133][1] = -0.0655177 
 dr_opt[133][2] = 0.0334116 
 dr_opt[134][0] = 0.00230794 
 dr_opt[134][1] = 0.0507146 
 dr_opt[134][2] = -0.0114701 
 dr_opt[135][0] = -0.116722 
 dr_opt[135][1] = 0.172459 
 dr_opt[135][2] = 0.0381104 
 dr_opt[136][0] = 0 
 dr_opt[136][1] = 0 
 dr_opt[136][2] = 0 
 dr_opt[137][0] = 0 
 dr_opt[137][1] = 0 
 dr_opt[137][2] = 0 
 dr_opt[138][0] = 0 
 dr_opt[138][1] = 0 
 dr_opt[138][2] = 0 
 dr_opt[139][0] = 0 
 dr_opt[139][1] = 0 
 dr_opt[139][2] = 0 
 dr_opt[140][0] = 0 
 dr_opt[140][1] = 0 
 dr_opt[140][2] = 0 
 dr_opt[141][0] = 0 
 dr_opt[141][1] = 0 
 dr_opt[141][2] = 0 
 dr_opt[142][0] = 0 
 dr_opt[142][1] = 0 
 dr_opt[142][2] = 0 
 dr_opt[143][0] = 0 
 dr_opt[143][1] = 0 
 dr_opt[143][2] = 0 
 dr_opt[144][0] = 0.0326445 
 dr_opt[144][1] = 0.00979489 
 dr_opt[144][2] = 0.0132963 
 dr_opt[145][0] = 0.0509175 
 dr_opt[145][1] = -0.0627154 
 dr_opt[145][2] = -0.00795645 
 dr_opt[146][0] = 0.135137 
 dr_opt[146][1] = -0.14203 
 dr_opt[146][2] = 0.0147775 
 dr_opt[147][0] = 0.153409 
 dr_opt[147][1] = -0.214539 
 dr_opt[147][2] = -0.00647491 
 dr_opt[148][0] = 0.110867 
 dr_opt[148][1] = 0.111292 
 dr_opt[148][2] = -0.0146521 
 dr_opt[149][0] = 0.0304232 
 dr_opt[149][1] = 0.0679294 
 dr_opt[149][2] = -0.0160143 
 dr_opt[150][0] = 0.0750194 
 dr_opt[150][1] = 0.0362597 
 dr_opt[150][2] = -0.00603523 
 dr_opt[151][0] = -0.00542349 
 dr_opt[151][1] = -0.0071022 
 dr_opt[151][2] = -0.00739748 
 dr_opt[152][0] = 0 
 dr_opt[152][1] = 0 
 dr_opt[152][2] = 0 
 dr_opt[153][0] = 0 
 dr_opt[153][1] = 0 
 dr_opt[153][2] = 0 
 dr_opt[154][0] = 0 
 dr_opt[154][1] = 0 
 dr_opt[154][2] = 0 
 dr_opt[155][0] = 0 
 dr_opt[155][1] = 0 
 dr_opt[155][2] = 0 
 dr_opt[156][0] = 0 
 dr_opt[156][1] = 0 
 dr_opt[156][2] = 0 
 dr_opt[157][0] = 0 
 dr_opt[157][1] = 0 
 dr_opt[157][2] = 0 
 dr_opt[158][0] = 0 
 dr_opt[158][1] = 0 
 dr_opt[158][2] = 0 
 dr_opt[159][0] = 0 
 dr_opt[159][1] = 0 
 dr_opt[159][2] = 0 
 n_atoms 160 dr2 0.0184239 opt_time 0.641232 opt_time_old 0.625616
   dr_max_old = 0.129687, efficiency_old = 0.945634 / cpu s
   dr_max = 0.142656, efficiency = 1.17981 / cpu s
   dr_max = 0.156921
   du_max = 0.0392304

Adjusting maximum size of molecule moves
 dr_opt[0][0] = 0 
 dr_opt[0][1] = 0 
 dr_opt[0][2] = 0 
 dr_opt[1][0] = 0 
 dr_opt[1][1] = 0 
 dr_opt[1][2] = 0 
 dr_opt[2][0] = 0 
 dr_opt[2][1] = 0 
 dr_opt[2][2] = 0 
 dr_opt[3][0] = 0 
 dr_opt[3][1] = 0 
 dr_opt[3][2] = 0 
 dr_opt[4][0] = 0 
 dr_opt[4][1] = 0 
 dr_opt[4][2] = 0 
 dr_opt[5][0] = 0 
 dr_opt[5][1] = 0 
 dr_opt[5][2] = 0 
 dr_opt[6][0] = 0 
 dr_opt[6][1] = 0 
 dr_opt[6][2] = 0 
 dr_opt[7][0] = 0 
 dr_opt[7][1] = 0 
 dr_opt[7][2] = 0 
 dr_opt[8][0] = 0 
 dr_opt[8][1] = 0 
 dr_opt[8][2] = 0 
 dr_opt[9][0] = 0 
 dr_opt[9][1] = 0 
 dr_opt[9][2] = 0 
 dr_opt[10][0] = 0 
 dr_opt[10][1] = 0 
 dr_opt[10][2] = 0 
 dr_opt[11][0] = 0 
 dr_opt[11][1] = 0 
 dr_opt[11][2] = 0 
 dr_opt[12][0] = -0.13766 
 dr_opt[12][1] = -0.0651535 
 dr_opt[12][2] = 0.115643 
 dr_opt[13][0] = -0.152224 
 dr_opt[13][1] = -0.0196969 
 dr_opt[13][2] = 0.135404 
 dr_opt[14][0] = -0.110146 
 dr_opt[14][1] = 0.0152288 
 dr_opt[14][2] = 0.109362 
 dr_opt[15][0] = -0.12471 
 dr_opt[15][1] = 0.0606862 
 dr_opt[15][2] = 0.129124 
 dr_opt[16][0] = -0.246047 
 dr_opt[16][1] = 0.318731 
 dr_opt[16][2] = 0.0994714 
 dr_opt[17][0] = -0.14139 
 dr_opt[17][1] = 0.198649 
 dr_opt[17][2] = 0.0351466 
 dr_opt[18][0] = -0.0528441 
 dr_opt[18][1] = 0.0723259 
 dr_opt[18][2] = 0.0642091 
 dr_opt[19][0] = 0.0518147 
 dr_opt[19][1] = -0.0477585 
 dr_opt[19][2] = -0.000115764 
 dr_opt[20][0] = 0.176948 
 dr_opt[20][1] = 0.317197 
 dr_opt[20][2] = 0.00322844 
 dr_opt[21][0] = 0.0967476 
 dr_opt[21][1] = 0.203343 
 dr_opt[21][2] = -0.0525665 
 dr_opt[22][0] = -0.019205 
 dr_opt[22][1] = 0.0841178 
 dr_opt[22][2] = -0.0254318 
 dr_opt[23][0] = -0.0994059 
 dr_opt[23][1] = -0.0297355 
 dr_opt[23][2] = -0.0812261 
 dr_opt[24][0] = 0.00191217 
 dr_opt[24][1] = -0.12737 
 dr_opt[24][2] = -0.154561 
 dr_opt[25][0] = 0.00299735 
 dr_opt[25][1] = -0.0426542 
 dr_opt[25][2] = -0.0924054 
 dr_opt[26][0] = 0.0959992 
 dr_opt[26][1] = 0.0568247 
 dr_opt[26][2] = -0.106261 
 dr_opt[27][0] = 0.097085 
 dr_opt[27][1] = 0.141541 
 dr_opt[27][2] = -0.0441057 
 dr_opt[28][0] = 0 
 dr_opt[28][1] = 0 
 dr_opt[28][2] = 0 
 dr_opt[29][0] = 0 
 dr_opt[29][1] = 0 
 dr_opt[29][2] = 0 
 dr_opt[30][0] = 0 
 dr_opt[30][1] = 0 
 dr_opt[30][2] = 0 
 dr_opt[31][0] = 0 
 dr_opt[31][1] = 0 
 dr_opt[31][2] = 0 
 dr_opt[32][0] = 0.0642667 
 dr_opt[32][1] = -0.217855 
 dr_opt[32][2] = -0.0634467 
 dr_opt[33][0] = -0.0366382 
 dr_opt[33][1] = -0.159622 
 dr_opt[33][2] = -0.0548474 
 dr_opt[34][0] = -0.114138 
 dr_opt[34][1] = -0.102598 
 dr_opt[34][2] = -0.0808852 
 dr_opt[35][0] = -0.215045 
 dr_opt[35][1] = -0.044364 
 dr_opt[35][2] = -0.0722859 
 dr_opt[36][0] = -0.0672823 
 dr_opt[36][1] = -0.0776375 
 dr_opt[36][2] = -0.029595 
 dr_opt[37][0] = -0.036981 
 dr_opt[37][1] = -0.0795686 
 dr_opt[37][2] = -0.0270007 
 dr_opt[38][0] = -0.0237319 
 dr_opt[38][1] = -0.0806055 
 dr_opt[38][2] = -0.0257095 
 dr_opt[39][0] = 0.00657009 
 dr_opt[39][1] = -0.0825366 
 dr_opt[39][2] = -0.0231151 
 dr_opt[40][0] = 0.0725842 
 dr_opt[40][1] = -0.144114 
 dr_opt[40][2] = -0.0615589 
 dr_opt[41][0] = -0.0889596 
 dr_opt[41][1] = -0.0987925 
 dr_opt[41][2] = -0.019135 
 dr_opt[42][0] = -0.195755 
 dr_opt[42][1] = -0.050533 
 dr_opt[42][2] = -0.0298124 
 dr_opt[43][0] = -0.357299 
 dr_opt[43][1] = -0.00521165 
 dr_opt[43][2] = 0.0126112 
 dr_opt[44][0] = 0 
 dr_opt[44][1] = 0 
 dr_opt[44][2] = 0 
 dr_opt[45][0] = 0 
 dr_opt[45][1] = 0 
 dr_opt[45][2] = 0 
 dr_opt[46][0] = 0 
 dr_opt[46][1] = 0 
 dr_opt[46][2] = 0 
 dr_opt[47][0] = 0 
 dr_opt[47][1] = 0 
 dr_opt[47][2] = 0 
 dr_opt[48][0] = 0 
 dr_opt[48][1] = 0 
 dr_opt[48][2] = 0 
 dr_opt[49][0] = 0 
 dr_opt[49][1] = 0 
 dr_opt[49][2] = 0 
 dr_opt[50][0] = 0 
 dr_opt[50][1] = 0 
 dr_opt[50][2] = 0 
 dr_opt[51][0] = 0 
 dr_opt[51][1] = 0 
 dr_opt[51][2] = 0 
 dr_opt[52][0] = 0 
 dr_opt[52][1] = 0 
 dr_opt[52][2] = 0 
 dr_opt[53][0] = 0 
 dr_opt[53][1] = 0 
 dr_opt[53][2] = 0 
 dr_opt[54][0] = 0 
 dr_opt[54][1] = 0 
 dr_opt[54][2] = 0 
 dr_opt[55][0] = 0 
 dr_opt[55][1] = 0 
 dr_opt[55][2] = 0 
 dr_opt[56][0] = 0 
 dr_opt[56][1] = 0 
 dr_opt[56][2] = 0 
 dr_opt[57][0] = 0 
 dr_opt[57][1] = 0 
 dr_opt[57][2] = 0 
 dr_opt[58][0] = 0 
 dr_opt[58][1] = 0 
 dr_opt[58][2] = 0 
 dr_opt[59][0] = 0 
 dr_opt[59][1] = 0 
 dr_opt[59][2] = 0 
 dr_opt[60][0] = 0 
 dr_opt[60][1] = 0 
 dr_opt[60][2] = 0 
 dr_opt[61][0] = 0 
 dr_opt[61][1] = 0 
 dr_opt[61][2] = 0 
 dr_opt[62][0] = 0 
 dr_opt[62][1] = 0 
 dr_opt[62][2] = 0 
 dr_opt[63][0] = 0 
 dr_opt[63][1] = 0 
 dr_opt[63][2] = 0 
 dr_opt[64][0] = -0.332581 
 dr_opt[64][1] = -0.025662 
 dr_opt[64][2] = -0.169992 
 dr_opt[65][0] = -0.161101 
 dr_opt[65][1] = -0.0783745 
 dr_opt[65][2] = -0.159656 
 dr_opt[66][0] = -0.104485 
 dr_opt[66][1] = -0.12592 
 dr_opt[66][2] = -0.127337 
 dr_opt[67][0] = 0.0669969 
 dr_opt[67][1] = -0.178633 
 dr_opt[67][2] = -0.117 
 dr_opt[68][0] = 0 
 dr_opt[68][1] = 0 
 dr_opt[68][2] = 0 
 dr_opt[69][0] = 0 
 dr_opt[69][1] = 0 
 dr_opt[69][2] = 0 
 dr_opt[70][0] = 0 
 dr_opt[70][1] = 0 
 dr_opt[70][2] = 0 
 dr_opt[71][0] = 0 
 dr_opt[71][1] = 0 
 dr_opt[71][2] = 0 
 dr_opt[72][0] = 0 
 dr_opt[72][1] = 0 
 dr_opt[72][2] = 0 
 dr_opt[73][0] = 0 
 dr_opt[73][1] = 0 
 dr_opt[73][2] = 0 
 dr_opt[74][0] = 0 
 dr_opt[74][1] = 0 
 dr_opt[74][2] = 0 
 dr_opt[75][0] = 0 
 dr_opt[75][1] = 0 
 dr_opt[75][2] = 0 
 dr_opt[76][0] = 0 
 dr_opt[76][1] = 0 
 dr_opt[76][2] = 0 
 dr_opt[77][0] = 0 
 dr_opt[77][1] = 0 
 dr_opt[77][2] = 0 
 dr_opt[78][0] = 0 
 dr_opt[78][1] = 0 
 dr_opt[78][2] = 0 
 dr_opt[79][0] = 0 
 dr_opt[79][1] = 0 
 dr_opt[79][2] = 0 
 dr_opt[80][0] = 0 
 dr_opt[80][1] = 0 
 dr_opt[80][2] = 0 
 dr_opt[81][0] = 0 
 dr_opt[81][1] = 0 
 dr_opt[81][2] = 0 
 dr_opt[82][0] = 0 
 dr_opt[82][1] = 0 
 dr_opt[82][2] = 0 
 dr_opt[83][0] = 0 
 dr_opt[83][1] = 0 
 dr_opt[83][2] = 0 
 dr_opt[84][0] = 0 
 dr_opt[84][1] = 0 
 dr_opt[84][2] = 0 
 dr_opt[85][0] = 0 
 dr_opt[85][1] = 0 
 dr_opt[85][2] = 0 
 dr_opt[86][0] = 0 
 dr_opt[86][1] = 0 
 dr_opt[86][2] = 0 
 dr_opt[87][0] = 0 
 dr_opt[87][1] = 0 
 dr_opt[87][2] = 0 
 dr_opt[88][0] = 0 
 dr_opt[88][1] = 0 
 dr_opt[88][2] = 0 
 dr_opt[89][0] = 0 
 dr_opt[89][1] = 0 
 dr_opt[89][2] = 0 
 dr_opt[90][0] = 0 
 dr_opt[90][1] = 0 
 dr_opt[90][2] = 0 
 dr_opt[91][0] = 0 
 dr_opt[91][1] = 0 
 dr_opt[91][2] = 0 
 dr_opt[92][0] = 0.199566 
 dr_opt[92][1] = 0.253885 
 dr_opt[92][2] = 0.182226 
 dr_opt[93][0] = 0.148772 
 dr_opt[93][1] = 0.168361 
 dr_opt[93][2] = 0.12564 
 dr_opt[94][0] = -0.0200294 
 dr_opt[94][1] = 0.0872923 
 dr_opt[94][2] = 0.118567 
 dr_opt[95][0] = -0.070824 
 dr_opt[95][1] = 0.00176834 
 dr_opt[95][2] = 0.0619815 
 dr_opt[96][0] = 0.00526758 
 dr_opt[96][1] = 0.285537 
 dr_opt[96][2] = -0.069871 
 dr_opt[97][0] = 0.0735888 
 dr_opt[97][1] = 0.173222 
 dr_opt[97][2] = -0.110805 
 dr_opt[98][0] = 0.0701737 
 dr_opt[98][1] = 0.0664058 
 dr_opt[98][2] = -0.0709706 
 dr_opt[99][0] = 0.138494 
 dr_opt[99][1] = -0.0459067 
 dr_opt[99][2] = -0.111904 
 dr_opt[100][0] = 0 
 dr_opt[100][1] = 0 
 dr_opt[100][2] = 0 
 dr_opt[101][0] = 0 
 dr_opt[101][1] = 0 
 dr_opt[101][2] = 0 
 dr_opt[102][0] = 0 
 dr_opt[102][1] = 0 
 dr_opt[102][2] = 0 
 dr_opt[103][0] = 0 
 dr_opt[103][1] = 0 
 dr_opt[103][2] = 0 
 dr_opt[104][0] = 0 
 dr_opt[104][1] = 0 
 dr_opt[104][2] = 0 
 dr_opt[105][0] = 0 
 dr_opt[105][1] = 0 
 dr_opt[105][2] = 0 
 dr_opt[106][0] = 0 
 dr_opt[106][1] = 0 
 dr_opt[106][2] = 0 
 dr_opt[107][0] = 0 
 dr_opt[107][1] = 0 
 dr_opt[107][2] = 0 
 dr_opt[108][0] = -0.183929 
 dr_opt[108][1] = -0.0719808 
 dr_opt[108][2] = -0.034445 
 dr_opt[109][0] = -0.0437613 
 dr_opt[109][1] = -0.115094 
 dr_opt[109][2] = -0.0467502 
 dr_opt[110][0] = 0.0937932 
 dr_opt[110][1] = -0.159682 
 dr_opt[110][2] = -0.0258904 
 dr_opt[111][0] = 0.233958 
 dr_opt[111][1] = -0.202795 
 dr_opt[111][2] = -0.0381956 
 dr_opt[112][0] = 0 
 dr_opt[112][1] = 0 
 dr_opt[112][2] = 0 
 dr_opt[113][0] = 0 
 dr_opt[113][1] = 0 
 dr_opt[113][2] = 0 
 dr_opt[114][0] = 0 
 dr_opt[114][1] = 0 
 dr_opt[114][2] = 0 
 dr_opt[115][0] = 0 
 dr_opt[115][1] = 0 
 dr_opt[115][2] = 0 
 dr_opt[116][0] = 0 
 dr_opt[116][1] = 0 
 dr_opt[116][2] = 0 
 dr_opt[117][0] = 0 
 dr_opt[117][1] = 0 
 dr_opt[117][2] = 0 
 dr_opt[118][0] = 0 
 dr_opt[118][1] = 0 
 dr_opt[118][2] = 0 
 dr_opt[119][0] = 0 
 dr_opt[119][1] = 0 
 dr_opt[119][2] = 0 
 dr_opt[120][0] = 0 
 dr_opt[120][1] = 0 
 dr_opt[120][2] = 0 
 dr_opt[121][0] = 0 
 dr_opt[121][1] = 0 
 dr_opt[121][2] = 0 
 dr_opt[122][0] = 0 
 dr_opt[122][1] = 0 
 dr_opt[122][2] = 0 
 dr_opt[123][0] = 0 
 dr_opt[123][1] = 0 
 dr_opt[123][2] = 0 
 dr_opt[124][0] = 0 
 dr_opt[124][1] = 0 
 dr_opt[124][2] = 0 
 dr_opt[125][0] = 0 
 dr_opt[125][1] = 0 
 dr_opt[125][2] = 0 
 dr_opt[126][0] = 0 
 dr_opt[126][1] = 0 
 dr_opt[126][2] = 0 
 dr_opt[127][0] = 0 
 dr_opt[127][1] = 0 
 dr_opt[127][2] = 0 
 dr_opt[128][0] = 0.209936 
 dr_opt[128][1] = -0.31209 
 dr_opt[128][2] = -0.00350742 
 dr_opt[129][0] = 0.00832838 
 dr_opt[129][1] = -0.0391674 
 dr_opt[129][2] = 0.0441456 
 dr_opt[130][0] = -0.0267064 
 dr_opt[130][1] = 0.17785 
 dr_opt[130][2] = -0.0793436 
 dr_opt[131][0] = -0.228314 
 dr_opt[131][1] = 0.450773 
 dr_opt[131][2] = -0.0316906 
 dr_opt[132][0] = 0 
 dr_opt[132][1] = 0 
 dr_opt[132][2] = 0 
 dr_opt[133][0] = 0 
 dr_opt[133][1] = 0 
 dr_opt[133][2] = 0 
 dr_opt[134][0] = 0 
 dr_opt[134][1] = 0 
 dr_opt[134][2] = 0 
 dr_opt[135][0] = 0 
 dr_opt[135][1] = 0 
 dr_opt[135][2] = 0 
 dr_opt[136][0] = 0 
 dr_opt[136][1] = 0 
 dr_opt[136][2] = 0 
 dr_opt[137][0] = 0 
 dr_opt[137][1] = 0 
 dr_opt[137][2] = 0 
 dr_opt[138][0] = 0 
 dr_opt[138][1] = 0 
 dr_opt[138][2] = 0 
 dr_opt[139][0] = 0 
 dr_opt[139][1] = 0 
 dr_opt[139][2] = 0 
 dr_opt[140][0] = 0 
 dr_opt[140][1] = 0 
 dr_opt[140][2] = 0 
 dr_opt[141][0] = 0 
 dr_opt[141][1] = 0 
 dr_opt[141][2] = 0 
 dr_opt[142][0] = 0 
 dr_opt[142][1] = 0 
 dr_opt[142][2] = 0 
 dr_opt[143][0] = 0 
 dr_opt[143][1] = 0 
 dr_opt[143][2] = 0 
 dr_opt[144][0] = 0 
 dr_opt[144][1] = 0 
 dr_opt[144][2] = 0 
 dr_opt[145][0] = 0 
 dr_opt[145][1] = 0 
 dr_opt[145][2] = 0 
 dr_opt[146][0] = 0 
 dr_opt[146][1] = 0 
 dr_opt[146][2] = 0 
 dr_opt[147][0] = 0 
 dr_opt[147][1] = 0 
 dr_opt[147][2] = 0 
 dr_opt[148][0] = -0.102242 
 dr_opt[148][1] = -0.0873923 
 dr_opt[148][2] = -0.0530127 
 dr_opt[149][0] = -0.120576 
 dr_opt[149][1] = -0.0973419 
 dr_opt[149][2] = -0.0539607 
 dr_opt[150][0] = -0.13523 
 dr_opt[150][1] = -0.106869 
 dr_opt[150][2] = -0.0486239 
 dr_opt[151][0] = -0.153564 
 dr_opt[151][1] = -0.116818 
 dr_opt[151][2] = -0.0495718 
 dr_opt[152][0] = 0 
 dr_opt[152][1] = 0 
 dr_opt[152][2] = 0 
 dr_opt[153][0] = 0 
 dr_opt[153][1] = 0 
 dr_opt[153][2] = 0 
 dr_opt[154][0] = 0 
 dr_opt[154][1] = 0 
 dr_opt[154][2] = 0 
 dr_opt[155][0] = 0 
 dr_opt[155][1] = 0 
 dr_opt[155][2] = 0 
 dr_opt[156][0] = 0.154434 
 dr_opt[156][1] = 0.186551 
 dr_opt[156][2] = -0.0549678 
 dr_opt[157][0] = 0.1592 
 dr_opt[157][1] = 0.0607444 
 dr_opt[157][2] = -0.0922569 
 dr_opt[158][0] = 0.143126 
 dr_opt[158][1] = -0.0602943 
 dr_opt[158][2] = -0.0427736 
 dr_opt[159][0] = 0.147892 
 dr_opt[159][1] = -0.186101 
 dr_opt[159][2] = -0.0800627 
 n_atoms 160 dr2 0.0173236 opt_time 0.655872 opt_time_old 0.641232
   dr_max_old = 0.142656, efficiency_old = 1.17981 / cpu s
   dr_max = 0.156921, efficiency = 1.18331 / cpu s
   dr_max = 0.172614
   du_max = 0.0431534
