element(s): ['O', 'Si'] AFLOW prototype label: A2B_oI108_71_egkl2n2o_hlno Parameter names: ['a', 'b/a', 'c/a', 'x1', 'y2', 'y3', 'y5', 'z5', 'y6', 'z6', 'x7', 'y7', 'x8', 'y8', 'x9', 'y9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11', 'x12', 'y12', 'z12'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['14.3344', '1.3363726', '0.52776538', '0.28813351', '0.25009714', '0.65337261', '0.70188128', '0.67655793', '0.22705716', '0.20681202', '0.71781097', '0.65583024', '0.40882094', '0.10381604', '0.29895378', '0.083541868', '0.090985543', '0.17961002', '0.25077624', '0.74891487', '0.61416299', '0.67630327', '0.70199044', '0.67522333', '0.79350697'] model name: Sim_LAMMPS_Vashishta_BroughtonMeliVashishta_1997_SiO__SM_422553794879_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0.28813351 0. 0. ] [0. 0.25009714 0. ] [0.25 0.25 0.25 ] [0. 0.70188128 0.67655793] [0.71781097 0.65583024 0. ] [0.40882094 0.10381604 0. ] [0.59098554 0.67961002 0.75077624] [0.24891487 0.11416299 0.17630327] [0. 0.65337261 0.5 ] [0. 0.22705716 0.20681202] [0.29895378 0.08354187 0. ] [0.20199044 0.17522333 0.29350697]] spacegroup = 71 cell = [[14.3344, 0, 0], [0, 19.1561, 0], [0, 0, 7.5652]] ========================================= Step Time Energy fmax BFGS: 0 16:12:20 -166.532358 0.249029 BFGS: 1 16:12:20 -166.564793 0.231246 BFGS: 2 16:12:21 -166.670873 0.155634 BFGS: 3 16:12:21 -166.681784 0.151779 BFGS: 4 16:12:21 -166.736075 0.130274 BFGS: 5 16:12:22 -166.744171 0.128884 BFGS: 6 16:12:23 -166.750438 0.128449 BFGS: 7 16:12:23 -166.756665 0.127326 BFGS: 8 16:12:24 -166.764364 0.124895 BFGS: 9 16:12:24 -166.769615 0.121557 BFGS: 10 16:12:25 -166.773540 0.119016 BFGS: 11 16:12:26 -166.777924 0.117115 BFGS: 12 16:12:26 -166.784155 0.115499 BFGS: 13 16:12:27 -166.791241 0.114616 BFGS: 14 16:12:27 -166.798694 0.114083 BFGS: 15 16:12:27 -166.808418 0.112761 BFGS: 16 16:12:27 -166.819514 0.110274 BFGS: 17 16:12:27 -166.831525 0.106994 BFGS: 18 16:12:27 -166.843993 0.107817 BFGS: 19 16:12:28 -166.856557 0.107952 BFGS: 20 16:12:28 -166.868981 0.107953 BFGS: 21 16:12:28 -166.881124 0.113591 BFGS: 22 16:12:29 -166.892911 0.117283 BFGS: 23 16:12:29 -166.904303 0.119006 BFGS: 24 16:12:29 -166.915281 0.118824 BFGS: 25 16:12:30 -166.925834 0.116842 BFGS: 26 16:12:31 -166.935949 0.113181 BFGS: 27 16:12:33 -166.945611 0.107970 BFGS: 28 16:12:34 -166.954804 0.104979 BFGS: 29 16:12:34 -166.963509 0.104540 BFGS: 30 16:12:35 -166.971711 0.103184 BFGS: 31 16:12:35 -166.979384 0.100908 BFGS: 32 16:12:36 -166.986506 0.097696 BFGS: 33 16:12:37 -166.993059 0.093512 BFGS: 34 16:12:37 -166.999031 0.088304 BFGS: 35 16:12:37 -167.004419 0.081997 BFGS: 36 16:12:39 -167.009229 0.074476 BFGS: 37 16:12:40 -167.013487 0.065565 BFGS: 38 16:12:41 -167.017255 0.054966 BFGS: 39 16:12:42 -167.020658 0.045038 BFGS: 40 16:12:42 -167.023968 0.056160 BFGS: 41 16:12:42 -167.027526 0.063872 BFGS: 42 16:12:43 -167.031122 0.057982 BFGS: 43 16:12:43 -167.035052 0.043541 BFGS: 44 16:12:44 -167.036743 0.038147 BFGS: 45 16:12:45 -167.037546 0.030916 BFGS: 46 16:12:45 -167.038251 0.026026 BFGS: 47 16:12:46 -167.039129 0.024804 BFGS: 48 16:12:46 -167.039869 0.022228 BFGS: 49 16:12:47 -167.040442 0.019912 BFGS: 50 16:12:47 -167.041050 0.017315 BFGS: 51 16:12:48 -167.041907 0.016685 BFGS: 52 16:12:48 -167.042841 0.022266 BFGS: 53 16:12:49 -167.043487 0.020972 BFGS: 54 16:12:50 -167.043868 0.018557 BFGS: 55 16:12:51 -167.044267 0.022072 BFGS: 56 16:12:51 -167.044877 0.025186 BFGS: 57 16:12:51 -167.045602 0.025536 BFGS: 58 16:12:51 -167.046156 0.021678 BFGS: 59 16:12:51 -167.046472 0.015989 BFGS: 60 16:12:52 -167.046727 0.014712 BFGS: 61 16:12:52 -167.047048 0.015207 BFGS: 62 16:12:53 -167.047393 0.013744 BFGS: 63 16:12:54 -167.047674 0.014325 BFGS: 64 16:12:54 -167.047893 0.015214 BFGS: 65 16:12:55 -167.048112 0.015615 BFGS: 66 16:12:56 -167.048324 0.015247 BFGS: 67 16:12:56 -167.048468 0.014297 BFGS: 68 16:12:57 -167.048553 0.013435 BFGS: 69 16:12:58 -167.048626 0.012812 BFGS: 70 16:12:58 -167.048721 0.012353 BFGS: 71 16:12:58 -167.048837 0.012174 BFGS: 72 16:12:58 -167.048967 0.012242 BFGS: 73 16:12:58 -167.049111 0.013102 BFGS: 74 16:12:59 -167.049282 0.014543 BFGS: 75 16:12:59 -167.049464 0.012412 BFGS: 76 16:12:59 -167.049618 0.011438 BFGS: 77 16:12:59 -167.049735 0.011444 BFGS: 78 16:12:59 -167.049842 0.012006 BFGS: 79 16:13:00 -167.049953 0.012077 BFGS: 80 16:13:00 -167.050050 0.011578 BFGS: 81 16:13:00 -167.050125 0.010836 BFGS: 82 16:13:01 -167.050200 0.010116 BFGS: 83 16:13:01 -167.050297 0.009490 BFGS: 84 16:13:01 -167.050411 0.009212 BFGS: 85 16:13:02 -167.050512 0.009419 BFGS: 86 16:13:02 -167.050592 0.009824 BFGS: 87 16:13:02 -167.050677 0.010209 BFGS: 88 16:13:02 -167.050789 0.010828 BFGS: 89 16:13:02 -167.050907 0.009549 BFGS: 90 16:13:02 -167.050996 0.008608 BFGS: 91 16:13:03 -167.051052 0.007831 BFGS: 92 16:13:03 -167.051098 0.007359 BFGS: 93 16:13:04 -167.051147 0.007515 BFGS: 94 16:13:05 -167.051191 0.007449 BFGS: 95 16:13:06 -167.051226 0.007514 BFGS: 96 16:13:06 -167.051255 0.007782 BFGS: 97 16:13:07 -167.051284 0.007902 BFGS: 98 16:13:07 -167.051312 0.007809 BFGS: 99 16:13:07 -167.051345 0.007515 BFGS: 100 16:13:08 -167.051395 0.006999 BFGS: 101 16:13:09 -167.051481 0.008085 BFGS: 102 16:13:09 -167.051617 0.008458 BFGS: 103 16:13:09 -167.051785 0.010387 BFGS: 104 16:13:09 -167.051949 0.012356 BFGS: 105 16:13:09 -167.052107 0.014545 BFGS: 106 16:13:09 -167.052286 0.013982 BFGS: 107 16:13:10 -167.052469 0.009075 BFGS: 108 16:13:10 -167.052589 0.005594 BFGS: 109 16:13:10 -167.052638 0.004130 BFGS: 110 16:13:10 -167.052660 0.004413 BFGS: 111 16:13:10 -167.052680 0.003745 BFGS: 112 16:13:10 -167.052697 0.002480 BFGS: 113 16:13:10 -167.052705 0.002966 BFGS: 114 16:13:10 -167.052707 0.002562 BFGS: 115 16:13:10 -167.052709 0.001734 BFGS: 116 16:13:10 -167.052710 0.001728 BFGS: 117 16:13:11 -167.052710 0.001717 BFGS: 118 16:13:11 -167.052710 0.001712 BFGS: 119 16:13:11 -167.052710 0.001709 BFGS: 120 16:13:11 -167.052711 0.001702 BFGS: 121 16:13:11 -167.052712 0.001681 BFGS: 122 16:13:11 -167.052714 0.001624 BFGS: 123 16:13:11 -167.052718 0.002125 BFGS: 124 16:13:12 -167.052725 0.003194 BFGS: 125 16:13:12 -167.052735 0.003902 BFGS: 126 16:13:12 -167.052746 0.003574 BFGS: 127 16:13:13 -167.052754 0.002187 BFGS: 128 16:13:13 -167.052757 0.001004 BFGS: 129 16:13:13 -167.052758 0.000361 BFGS: 130 16:13:14 -167.052758 0.000102 BFGS: 131 16:13:14 -167.052758 0.000025 BFGS: 132 16:13:14 -167.052758 0.000013 BFGS: 133 16:13:15 -167.052758 0.000007 BFGS: 134 16:13:15 -167.052758 0.000003 BFGS: 135 16:13:15 -167.052758 0.000001 BFGS: 136 16:13:15 -167.052758 0.000000 BFGS: 137 16:13:15 -167.052758 0.000000 BFGS: 138 16:13:16 -167.052758 0.000000 Minimization converged after 138 steps. Maximum force component: 5.358449152274847e-09 eV/Angstrom Maximum stress component: 1.860313871743048e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[2.76828099e-01 0.00000000e+00 0.00000000e+00] [7.23171901e-01 0.00000000e+00 1.00000000e+00] [7.76828099e-01 5.00000000e-01 5.00000000e-01] [2.23171901e-01 5.00000000e-01 5.00000000e-01] [1.00000000e+00 2.50040823e-01 1.00000000e+00] [1.00000000e+00 7.49959177e-01 1.00000000e+00] [5.00000000e-01 7.50040823e-01 5.00000000e-01] [5.00000000e-01 2.49959177e-01 5.00000000e-01] [2.50000000e-01 2.50000000e-01 2.50000000e-01] [7.50000000e-01 7.50000000e-01 2.50000000e-01] [7.50000000e-01 2.50000000e-01 7.50000000e-01] [2.50000000e-01 7.50000000e-01 7.50000000e-01] [7.50000000e-01 7.50000000e-01 7.50000000e-01] [2.50000000e-01 2.50000000e-01 7.50000000e-01] [2.50000000e-01 7.50000000e-01 2.50000000e-01] [7.50000000e-01 2.50000000e-01 2.50000000e-01] [1.00000000e+00 6.99840352e-01 6.76817989e-01] [1.00000000e+00 3.00159648e-01 6.76817989e-01] [1.00000000e+00 6.99840352e-01 3.23182011e-01] [1.00000000e+00 3.00159648e-01 3.23182011e-01] [5.00000000e-01 1.99840352e-01 1.76817989e-01] [5.00000000e-01 8.00159648e-01 1.76817989e-01] [5.00000000e-01 1.99840352e-01 8.23182011e-01] [5.00000000e-01 8.00159648e-01 8.23182011e-01] [7.15562374e-01 6.56876453e-01 1.00000000e+00] [2.84437626e-01 3.43123547e-01 1.00000000e+00] [2.84437626e-01 6.56876453e-01 1.00000000e+00] [7.15562374e-01 3.43123547e-01 1.00000000e+00] [2.15562374e-01 1.56876453e-01 5.00000000e-01] [7.84437626e-01 8.43123547e-01 5.00000000e-01] [7.84437626e-01 1.56876453e-01 5.00000000e-01] [2.15562374e-01 8.43123547e-01 5.00000000e-01] [4.08638418e-01 9.98727008e-02 1.00000000e+00] [5.91361582e-01 9.00127299e-01 1.00000000e+00] [5.91361582e-01 9.98727008e-02 1.00000000e+00] [4.08638418e-01 9.00127299e-01 1.00000000e+00] [9.08638418e-01 5.99872701e-01 5.00000000e-01] [9.13615817e-02 4.00127299e-01 5.00000000e-01] [9.13615817e-02 5.99872701e-01 5.00000000e-01] [9.08638418e-01 4.00127299e-01 5.00000000e-01] [5.91032494e-01 6.80663433e-01 7.49590326e-01] [4.08967506e-01 3.19336567e-01 7.49590326e-01] [4.08967506e-01 6.80663433e-01 2.50409674e-01] [5.91032494e-01 3.19336567e-01 2.50409674e-01] [9.10324936e-02 1.80663433e-01 2.49590326e-01] [9.08967506e-01 8.19336567e-01 2.49590326e-01] [9.08967506e-01 1.80663433e-01 7.50409674e-01] [9.10324936e-02 8.19336567e-01 7.50409674e-01] [4.08967506e-01 3.19336567e-01 2.50409674e-01] [5.91032494e-01 6.80663433e-01 2.50409674e-01] [5.91032494e-01 3.19336567e-01 7.49590326e-01] [4.08967506e-01 6.80663433e-01 7.49590326e-01] [9.08967506e-01 8.19336567e-01 7.50409674e-01] [9.10324936e-02 1.80663433e-01 7.50409674e-01] [9.10324936e-02 8.19336567e-01 2.49590326e-01] [9.08967506e-01 1.80663433e-01 2.49590326e-01] [2.49851490e-01 1.15050721e-01 1.77000563e-01] [7.50148510e-01 8.84949279e-01 1.77000563e-01] [7.50148510e-01 1.15050721e-01 8.22999437e-01] [2.49851490e-01 8.84949279e-01 8.22999437e-01] [7.49851490e-01 6.15050721e-01 6.77000563e-01] [2.50148510e-01 3.84949279e-01 6.77000563e-01] [2.50148510e-01 6.15050721e-01 3.22999437e-01] [7.49851490e-01 3.84949279e-01 3.22999437e-01] [7.50148510e-01 8.84949279e-01 8.22999437e-01] [2.49851490e-01 1.15050721e-01 8.22999437e-01] [2.49851490e-01 8.84949279e-01 1.77000563e-01] [7.50148510e-01 1.15050721e-01 1.77000563e-01] [2.50148510e-01 3.84949279e-01 3.22999437e-01] [7.49851490e-01 6.15050721e-01 3.22999437e-01] [7.49851490e-01 3.84949279e-01 6.77000563e-01] [2.50148510e-01 6.15050721e-01 6.77000563e-01] [1.00000000e+00 6.51466644e-01 5.00000000e-01] [1.00000000e+00 3.48533356e-01 5.00000000e-01] [5.00000000e-01 1.51466644e-01 1.00000000e+00] [5.00000000e-01 8.48533356e-01 1.00000000e+00] [1.00000000e+00 2.27951090e-01 2.06030330e-01] [1.00000000e+00 7.72048910e-01 2.06030330e-01] [0.00000000e+00 2.27951090e-01 7.93969670e-01] [1.62834057e-32 7.72048910e-01 7.93969670e-01] [5.00000000e-01 7.27951090e-01 7.06030330e-01] [5.00000000e-01 2.72048910e-01 7.06030330e-01] [5.00000000e-01 7.27951090e-01 2.93969670e-01] [5.00000000e-01 2.72048910e-01 2.93969670e-01] [2.97303233e-01 8.38397716e-02 1.00000000e+00] [7.02696767e-01 9.16160228e-01 1.00000000e+00] [7.02696767e-01 8.38397716e-02 1.00000000e+00] [2.97303233e-01 9.16160228e-01 1.00000000e+00] [7.97303233e-01 5.83839772e-01 5.00000000e-01] [2.02696767e-01 4.16160228e-01 5.00000000e-01] [2.02696767e-01 5.83839772e-01 5.00000000e-01] [7.97303233e-01 4.16160228e-01 5.00000000e-01] [2.01103606e-01 1.75791417e-01 2.94047678e-01] [7.98896394e-01 8.24208583e-01 2.94047678e-01] [7.98896394e-01 1.75791417e-01 7.05952322e-01] [2.01103606e-01 8.24208583e-01 7.05952322e-01] [7.01103606e-01 6.75791417e-01 7.94047678e-01] [2.98896394e-01 3.24208583e-01 7.94047678e-01] [2.98896394e-01 6.75791417e-01 2.05952322e-01] [7.01103606e-01 3.24208583e-01 2.05952322e-01] [7.98896394e-01 8.24208583e-01 7.05952322e-01] [2.01103606e-01 1.75791417e-01 7.05952322e-01] [2.01103606e-01 8.24208583e-01 2.94047678e-01] [7.98896394e-01 1.75791417e-01 2.94047678e-01] [2.98896394e-01 3.24208583e-01 2.05952322e-01] [7.01103606e-01 6.75791417e-01 2.05952322e-01] [7.01103606e-01 3.24208583e-01 7.94047678e-01] [2.98896394e-01 6.75791417e-01 7.94047678e-01]] cellpar = Cell([[14.122715357276643, 1.5622772724413785e-30, 1.8474505605649947e-16], [-6.850418920624733e-31, 18.824823897746914, 1.7293503352414541e-16], [3.931519303738825e-31, 2.3587175513651243e-17, 7.477740205935069]]) forces = [[-5.86012442e-10 -6.48256299e-41 -7.66585858e-27] [ 5.86012442e-10 6.48256299e-41 7.66587010e-27] [-5.86012442e-10 -6.48256299e-41 -7.66587010e-27] [ 5.86012442e-10 6.48256299e-41 7.66587010e-27] [ 6.63386568e-41 -1.82297396e-09 -1.67468267e-26] [-6.63386568e-41 1.82297396e-09 1.67468267e-26] [-1.08797441e-32 -1.82297396e-09 -1.67468267e-26] [-6.63386568e-41 1.82297396e-09 1.67468267e-26] [-3.82966994e-30 -4.23644191e-61 -5.00974898e-47] [-4.17782176e-30 1.85627095e-30 3.68681057e-31] [-1.39260725e-30 3.71254191e-30 7.37362113e-31] [ 6.61488445e-30 3.24847417e-30 2.76510793e-31] [ 4.17782176e-30 9.28135476e-30 1.39915361e-46] [-7.34227194e-63 -4.64067738e-31 -4.60851321e-31] [-4.17782176e-30 4.64067738e-31 -3.68681057e-31] [-6.96303626e-30 3.71254191e-30 -1.84340528e-31] [-8.18597674e-41 -3.37601313e-09 -3.89365647e-09] [-3.27568353e-40 3.37601313e-09 -3.89365647e-09] [ 3.27568353e-40 -3.37601313e-09 3.89365647e-09] [ 8.18597674e-41 3.37601313e-09 3.89365647e-09] [-5.43987216e-33 -3.37601313e-09 -3.89365647e-09] [-3.27568353e-40 3.37601313e-09 -3.89365647e-09] [ 5.43987241e-33 -3.37601313e-09 3.89365647e-09] [ 8.18597674e-41 3.37601313e-09 3.89365647e-09] [-1.16666779e-09 7.10762580e-10 -8.73221165e-27] [ 1.16666779e-09 -7.10762580e-10 8.73221165e-27] [ 1.16666779e-09 7.10762580e-10 2.17911121e-26] [-1.16666779e-09 -7.10762580e-10 -2.17911121e-26] [-1.16666779e-09 7.10762580e-10 -8.73221165e-27] [ 1.16666779e-09 -7.10762580e-10 8.73221165e-27] [ 1.16666779e-09 7.10762580e-10 2.17911121e-26] [-1.16666779e-09 -7.10762580e-10 -2.17911121e-26] [-3.67141274e-09 -1.59963470e-09 -6.27223964e-26] [ 3.67141274e-09 1.59963470e-09 6.27223734e-26] [ 3.67141274e-09 -1.59963470e-09 3.33321049e-26] [-3.67141274e-09 1.59963470e-09 -3.33321510e-26] [-3.67141274e-09 -1.59963470e-09 -6.27223503e-26] [ 3.67141274e-09 1.59963470e-09 6.27223503e-26] [ 3.67141274e-09 -1.59963470e-09 3.33321510e-26] [-3.67141274e-09 1.59963470e-09 -3.33321740e-26] [ 5.74336019e-10 -6.00360580e-10 8.47584534e-10] [-5.74336019e-10 6.00360580e-10 8.47584534e-10] [-5.74336019e-10 -6.00360580e-10 -8.47584534e-10] [ 5.74336019e-10 6.00360580e-10 -8.47584534e-10] [ 5.74336019e-10 -6.00360580e-10 8.47584534e-10] [-5.74336019e-10 6.00360580e-10 8.47584534e-10] [-5.74336019e-10 -6.00360580e-10 -8.47584534e-10] [ 5.74336019e-10 6.00360580e-10 -8.47584534e-10] [-5.74336019e-10 6.00360580e-10 -8.47584534e-10] [ 5.74336019e-10 -6.00360580e-10 -8.47584534e-10] [ 5.74336019e-10 6.00360580e-10 8.47584534e-10] [-5.74336019e-10 -6.00360580e-10 8.47584534e-10] [-5.74336019e-10 6.00360580e-10 -8.47584534e-10] [ 5.74336019e-10 -6.00360580e-10 -8.47584534e-10] [ 5.74336019e-10 6.00360580e-10 8.47584534e-10] [-5.74336019e-10 -6.00360580e-10 8.47584534e-10] [ 1.10527151e-09 -2.01922455e-09 -2.67981727e-09] [-1.10527151e-09 2.01922455e-09 -2.67981727e-09] [-1.10527151e-09 -2.01922455e-09 2.67981727e-09] [ 1.10527151e-09 2.01922455e-09 2.67981727e-09] [ 1.10527151e-09 -2.01922455e-09 -2.67981727e-09] [-1.10527151e-09 2.01922455e-09 -2.67981727e-09] [-1.10527151e-09 -2.01922455e-09 2.67981727e-09] [ 1.10527151e-09 2.01922455e-09 2.67981727e-09] [-1.10527151e-09 2.01922455e-09 2.67981727e-09] [ 1.10527151e-09 -2.01922455e-09 2.67981727e-09] [ 1.10527151e-09 2.01922455e-09 -2.67981727e-09] [-1.10527151e-09 -2.01922455e-09 -2.67981727e-09] [-1.10527151e-09 2.01922455e-09 2.67981727e-09] [ 1.10527151e-09 -2.01922455e-09 2.67981727e-09] [ 1.10527151e-09 2.01922455e-09 -2.67981727e-09] [-1.10527151e-09 -2.01922455e-09 -2.67981727e-09] [-1.93445675e-40 5.31585119e-09 4.88342897e-26] [ 1.93445675e-40 -5.31585119e-09 -4.88342897e-26] [-1.93445675e-40 5.31585119e-09 4.88342897e-26] [ 1.93445675e-40 -5.31585119e-09 -4.88342897e-26] [-2.83834582e-40 5.79037755e-11 -5.35844915e-09] [-2.79620305e-40 -5.79037755e-11 -5.35844915e-09] [-3.48151813e-31 5.79037755e-11 5.35844915e-09] [ 2.83834582e-40 -5.79037755e-11 5.35844915e-09] [-2.83834582e-40 5.79037755e-11 -5.35844915e-09] [-2.79620305e-40 -5.79037755e-11 -5.35844915e-09] [ 3.48151813e-31 5.79037755e-11 5.35844915e-09] [-3.48151813e-31 -5.79037755e-11 5.35844915e-09] [ 2.53778555e-09 1.89804065e-09 5.06342479e-26] [-2.53778555e-09 -1.89804065e-09 -5.06342479e-26] [-2.53778555e-09 1.89804065e-09 -1.57613880e-26] [ 2.53778555e-09 -1.89804065e-09 1.57613880e-26] [ 2.53778555e-09 1.89804065e-09 5.06342479e-26] [-2.53778555e-09 -1.89804065e-09 -5.06342479e-26] [-2.53778555e-09 1.89804065e-09 -1.57613880e-26] [ 2.53778555e-09 -1.89804065e-09 1.57613880e-26] [-8.83290296e-11 9.79053198e-10 2.39145737e-09] [ 8.83290296e-11 -9.79053198e-10 2.39145737e-09] [ 8.83290296e-11 9.79053198e-10 -2.39145737e-09] [-8.83290296e-11 -9.79053198e-10 -2.39145737e-09] [-8.83290296e-11 9.79053198e-10 2.39145737e-09] [ 8.83290296e-11 -9.79053198e-10 2.39145737e-09] [ 8.83290296e-11 9.79053198e-10 -2.39145737e-09] [-8.83290296e-11 -9.79053198e-10 -2.39145737e-09] [ 8.83290296e-11 -9.79053198e-10 -2.39145737e-09] [-8.83290296e-11 9.79053198e-10 -2.39145737e-09] [-8.83290296e-11 -9.79053198e-10 2.39145737e-09] [ 8.83290296e-11 9.79053198e-10 2.39145737e-09] [ 8.83290296e-11 -9.79053198e-10 -2.39145737e-09] [-8.83290296e-11 9.79053198e-10 -2.39145737e-09] [-8.83290296e-11 -9.79053198e-10 2.39145737e-09] [ 8.83290296e-11 9.79053198e-10 2.39145737e-09]] stress = [-1.86031387e-10 5.45837748e-11 9.84542990e-11 -1.40663677e-26 1.16716410e-34 -1.02989383e-41] energy per atom = -1.546784797883512 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0