element(s): ['Si'] AFLOW prototype label: A_cF136_227_aeg Parameter names: ['a', 'x2', 'x3', 'z3'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['14.7362', '0.76473335', '0.31636148', '0.12789779'] model name: SW_BalamaneHauchShi_2017Brittle_Si__MO_381114941873_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si', 'Si'] representative atom coordinates = [[0. 0. 0. ] [0.88973335 0.88973335 0.88973335] [0.44136148 0.44136148 0.25289779]] spacegroup = 227 cell = [[14.7362, 0, 0], [0, 14.7362, 0], [0, 0, 14.7362]] ========================================= Step Time Energy fmax BFGS: 0 16:40:32 -486.136444 2.7343 BFGS: 1 16:40:32 -493.763349 2.1705 BFGS: 2 16:40:33 -497.250941 1.7746 BFGS: 3 16:40:33 -498.608514 1.6042 BFGS: 4 16:40:33 -499.822297 1.6086 BFGS: 5 16:40:34 -501.106072 1.7645 BFGS: 6 16:40:34 -502.442139 1.8591 BFGS: 7 16:40:35 -503.796891 1.8963 BFGS: 8 16:40:36 -505.133466 1.8770 BFGS: 9 16:40:38 -506.414638 1.8027 BFGS: 10 16:40:39 -507.607381 1.6773 BFGS: 11 16:40:40 -508.687127 1.5068 BFGS: 12 16:40:40 -509.640469 1.2998 BFGS: 13 16:40:41 -510.465676 1.1540 BFGS: 14 16:40:41 -511.170800 1.1459 BFGS: 15 16:40:42 -511.769725 1.1444 BFGS: 16 16:40:43 -512.277242 1.1490 BFGS: 17 16:40:44 -512.705066 1.1589 BFGS: 18 16:40:44 -513.060808 1.1723 BFGS: 19 16:40:45 -513.350582 1.1872 BFGS: 20 16:40:45 -513.583312 1.2007 BFGS: 21 16:40:46 -513.772642 1.2103 BFGS: 22 16:40:46 -513.934098 1.2146 BFGS: 23 16:40:47 -514.080472 1.2134 BFGS: 24 16:40:48 -514.219840 1.2073 BFGS: 25 16:40:48 -514.356443 1.1973 BFGS: 26 16:40:49 -514.492245 1.1843 BFGS: 27 16:40:49 -514.628044 1.1689 BFGS: 28 16:40:50 -514.764078 1.1516 BFGS: 29 16:40:51 -514.900317 1.1328 BFGS: 30 16:40:52 -515.036606 1.1128 BFGS: 31 16:40:53 -515.172739 1.0918 BFGS: 32 16:40:54 -515.308483 1.0700 BFGS: 33 16:40:55 -515.443604 1.0476 BFGS: 34 16:40:56 -515.577873 1.0246 BFGS: 35 16:40:57 -515.711068 1.0013 BFGS: 36 16:40:58 -515.842978 0.9776 BFGS: 37 16:41:00 -515.973408 0.9536 BFGS: 38 16:41:01 -516.102172 0.9295 BFGS: 39 16:41:02 -516.229102 0.9052 BFGS: 40 16:41:03 -516.354038 0.8808 BFGS: 41 16:41:04 -516.476838 0.8563 BFGS: 42 16:41:04 -516.597369 0.8319 BFGS: 43 16:41:05 -516.715510 0.8074 BFGS: 44 16:41:06 -516.831155 0.7830 BFGS: 45 16:41:07 -516.944204 0.7586 BFGS: 46 16:41:07 -517.054571 0.7343 BFGS: 47 16:41:08 -517.162178 0.7102 BFGS: 48 16:41:09 -517.266957 0.6861 BFGS: 49 16:41:10 -517.368848 0.6622 BFGS: 50 16:41:10 -517.467798 0.6385 BFGS: 51 16:41:11 -517.563763 0.6149 BFGS: 52 16:41:12 -517.656705 0.5915 BFGS: 53 16:41:13 -517.746592 0.5683 BFGS: 54 16:41:14 -517.833399 0.5453 BFGS: 55 16:41:14 -517.917106 0.5226 BFGS: 56 16:41:15 -517.997696 0.5000 BFGS: 57 16:41:16 -518.075158 0.4776 BFGS: 58 16:41:17 -518.149487 0.4555 BFGS: 59 16:41:18 -518.220678 0.4336 BFGS: 60 16:41:19 -518.288733 0.4120 BFGS: 61 16:41:19 -518.353654 0.3906 BFGS: 62 16:41:20 -518.415448 0.3694 BFGS: 63 16:41:21 -518.474123 0.3485 BFGS: 64 16:41:22 -518.529690 0.3279 BFGS: 65 16:41:22 -518.582163 0.3075 BFGS: 66 16:41:24 -518.631556 0.2874 BFGS: 67 16:41:25 -518.677886 0.2676 BFGS: 68 16:41:25 -518.721171 0.2480 BFGS: 69 16:41:26 -518.761429 0.2287 BFGS: 70 16:41:27 -518.798680 0.2096 BFGS: 71 16:41:28 -518.832946 0.1908 BFGS: 72 16:41:29 -518.864248 0.1723 BFGS: 73 16:41:30 -518.892608 0.1541 BFGS: 74 16:41:31 -518.918048 0.1362 BFGS: 75 16:41:33 -518.940590 0.1185 BFGS: 76 16:41:34 -518.960256 0.1011 BFGS: 77 16:41:35 -518.977067 0.0840 BFGS: 78 16:41:36 -518.991042 0.0671 BFGS: 79 16:41:36 -519.002200 0.0506 BFGS: 80 16:41:37 -519.010554 0.0346 BFGS: 81 16:41:38 -519.016112 0.0237 BFGS: 82 16:41:39 -519.018869 0.0125 BFGS: 83 16:41:39 -519.019221 0.0070 BFGS: 84 16:41:40 -519.019282 0.0057 BFGS: 85 16:41:40 -519.019452 0.0023 BFGS: 86 16:41:41 -519.019475 0.0007 BFGS: 87 16:41:42 -519.019478 0.0005 BFGS: 88 16:41:42 -519.019478 0.0003 BFGS: 89 16:41:43 -519.019478 0.0001 BFGS: 90 16:41:44 -519.019478 0.0000 BFGS: 91 16:41:45 -519.019478 0.0000 BFGS: 92 16:41:46 -519.019478 0.0000 BFGS: 93 16:41:47 -519.019478 0.0000 BFGS: 94 16:41:48 -519.019478 0.0000 BFGS: 95 16:41:49 -519.019478 0.0000 BFGS: 96 16:41:49 -519.019478 0.0000 Minimization converged after 96 steps. Maximum force component: 5.698046685753337e-09 eV/Angstrom Maximum stress component: 5.3571314135667487e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['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', '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', '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', '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 = [[0.00000000e+00 1.73995780e-33 6.10704333e-33] [1.11656755e-32 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 4.71951408e-33] [5.00000000e-01 2.94335287e-33 5.00000000e-01] [7.50000000e-01 2.50000000e-01 7.50000000e-01] [2.50000000e-01 2.50000000e-01 2.50000000e-01] [2.50000000e-01 7.50000000e-01 7.50000000e-01] [7.50000000e-01 7.50000000e-01 2.50000000e-01] [9.04937650e-01 9.04937650e-01 9.04937650e-01] [9.50623500e-02 5.95062350e-01 4.04937650e-01] [5.95062350e-01 4.04937650e-01 9.50623500e-02] [4.04937650e-01 9.50623500e-02 5.95062350e-01] [6.54937650e-01 1.54937650e-01 8.45062350e-01] [3.45062350e-01 3.45062350e-01 3.45062350e-01] [1.54937650e-01 8.45062350e-01 6.54937650e-01] [8.45062350e-01 6.54937650e-01 1.54937650e-01] [1.54937650e-01 6.54937650e-01 8.45062350e-01] [6.54937650e-01 8.45062350e-01 1.54937650e-01] [8.45062350e-01 1.54937650e-01 6.54937650e-01] [5.95062350e-01 9.50623500e-02 4.04937650e-01] [9.50623500e-02 4.04937650e-01 5.95062350e-01] [4.04937650e-01 5.95062350e-01 9.50623500e-02] [9.04937650e-01 4.04937650e-01 4.04937650e-01] [9.50623500e-02 9.50623500e-02 9.04937650e-01] [5.95062350e-01 9.04937650e-01 5.95062350e-01] [6.54937650e-01 6.54937650e-01 3.45062350e-01] [3.45062350e-01 8.45062350e-01 8.45062350e-01] [1.54937650e-01 3.45062350e-01 1.54937650e-01] [1.54937650e-01 1.54937650e-01 3.45062350e-01] [6.54937650e-01 3.45062350e-01 6.54937650e-01] [5.95062350e-01 5.95062350e-01 9.04937650e-01] [9.50623500e-02 9.04937650e-01 9.50623500e-02] [4.04937650e-01 9.04937650e-01 4.04937650e-01] [9.04937650e-01 9.50623500e-02 9.50623500e-02] [8.45062350e-01 3.45062350e-01 8.45062350e-01] [3.45062350e-01 6.54937650e-01 6.54937650e-01] [3.45062350e-01 1.54937650e-01 1.54937650e-01] [9.04937650e-01 5.95062350e-01 5.95062350e-01] [4.04937650e-01 4.04937650e-01 9.04937650e-01] [8.45062350e-01 8.45062350e-01 3.45062350e-01] [4.33802332e-01 4.33802332e-01 2.57266494e-01] [5.66197668e-01 6.61976684e-02 7.57266494e-01] [6.61976684e-02 9.33802332e-01 7.42733506e-01] [9.33802332e-01 5.66197668e-01 2.42733506e-01] [2.57266494e-01 4.33802332e-01 4.33802332e-01] [7.57266494e-01 5.66197668e-01 6.61976684e-02] [7.42733506e-01 6.61976684e-02 9.33802332e-01] [2.42733506e-01 9.33802332e-01 5.66197668e-01] [4.33802332e-01 2.57266494e-01 4.33802332e-01] [6.61976684e-02 7.57266494e-01 5.66197668e-01] [9.33802332e-01 7.42733506e-01 6.61976684e-02] [5.66197668e-01 2.42733506e-01 9.33802332e-01] [1.83802332e-01 6.83802332e-01 4.92733506e-01] [8.16197668e-01 8.16197668e-01 9.92733506e-01] [6.83802332e-01 3.16197668e-01 7.26649400e-03] [3.16197668e-01 1.83802332e-01 5.07266494e-01] [1.83802332e-01 5.07266494e-01 3.16197668e-01] [3.16197668e-01 7.26649400e-03 6.83802332e-01] [8.16197668e-01 9.92733506e-01 8.16197668e-01] [6.83802332e-01 4.92733506e-01 1.83802332e-01] [7.26649400e-03 6.83802332e-01 3.16197668e-01] [5.07266494e-01 3.16197668e-01 1.83802332e-01] [4.92733506e-01 1.83802332e-01 6.83802332e-01] [9.92733506e-01 8.16197668e-01 8.16197668e-01] [6.83802332e-01 1.83802332e-01 4.92733506e-01] [1.83802332e-01 3.16197668e-01 5.07266494e-01] [3.16197668e-01 6.83802332e-01 7.26649400e-03] [4.92733506e-01 6.83802332e-01 1.83802332e-01] [5.07266494e-01 1.83802332e-01 3.16197668e-01] [7.26649400e-03 3.16197668e-01 6.83802332e-01] [1.83802332e-01 4.92733506e-01 6.83802332e-01] [3.16197668e-01 5.07266494e-01 1.83802332e-01] [6.83802332e-01 7.26649400e-03 3.16197668e-01] [6.61976684e-02 5.66197668e-01 7.57266494e-01] [5.66197668e-01 9.33802332e-01 2.42733506e-01] [9.33802332e-01 6.61976684e-02 7.42733506e-01] [6.61976684e-02 7.42733506e-01 9.33802332e-01] [9.33802332e-01 2.42733506e-01 5.66197668e-01] [5.66197668e-01 7.57266494e-01 6.61976684e-02] [2.42733506e-01 5.66197668e-01 9.33802332e-01] [7.42733506e-01 9.33802332e-01 6.61976684e-02] [7.57266494e-01 6.61976684e-02 5.66197668e-01] [4.33802332e-01 9.33802332e-01 7.57266494e-01] [5.66197668e-01 5.66197668e-01 2.57266494e-01] [6.61976684e-02 4.33802332e-01 2.42733506e-01] [2.57266494e-01 9.33802332e-01 9.33802332e-01] [7.42733506e-01 5.66197668e-01 4.33802332e-01] [2.42733506e-01 4.33802332e-01 6.61976684e-02] [4.33802332e-01 7.57266494e-01 9.33802332e-01] [6.61976684e-02 2.57266494e-01 6.61976684e-02] [5.66197668e-01 7.42733506e-01 4.33802332e-01] [1.83802332e-01 1.83802332e-01 9.92733506e-01] [8.16197668e-01 3.16197668e-01 4.92733506e-01] [6.83802332e-01 8.16197668e-01 5.07266494e-01] [1.83802332e-01 7.26649400e-03 8.16197668e-01] [8.16197668e-01 4.92733506e-01 3.16197668e-01] [6.83802332e-01 9.92733506e-01 6.83802332e-01] [7.26649400e-03 1.83802332e-01 8.16197668e-01] [5.07266494e-01 8.16197668e-01 6.83802332e-01] [9.92733506e-01 3.16197668e-01 3.16197668e-01] [6.83802332e-01 6.83802332e-01 9.92733506e-01] [1.83802332e-01 8.16197668e-01 7.26649400e-03] [5.07266494e-01 6.83802332e-01 8.16197668e-01] [7.26649400e-03 8.16197668e-01 1.83802332e-01] [1.83802332e-01 9.92733506e-01 1.83802332e-01] [6.83802332e-01 5.07266494e-01 8.16197668e-01] [6.61976684e-02 6.61976684e-02 2.57266494e-01] [5.66197668e-01 4.33802332e-01 7.42733506e-01] [6.61976684e-02 2.42733506e-01 4.33802332e-01] [5.66197668e-01 2.57266494e-01 5.66197668e-01] [2.42733506e-01 6.61976684e-02 4.33802332e-01] [7.42733506e-01 4.33802332e-01 5.66197668e-01] [9.33802332e-01 4.33802332e-01 7.57266494e-01] [4.33802332e-01 5.66197668e-01 7.42733506e-01] [7.57266494e-01 4.33802332e-01 9.33802332e-01] [2.57266494e-01 5.66197668e-01 5.66197668e-01] [9.33802332e-01 2.57266494e-01 9.33802332e-01] [4.33802332e-01 7.42733506e-01 5.66197668e-01] [3.16197668e-01 8.16197668e-01 4.92733506e-01] [8.16197668e-01 1.83802332e-01 7.26649400e-03] [8.16197668e-01 7.26649400e-03 1.83802332e-01] [3.16197668e-01 9.92733506e-01 3.16197668e-01] [9.92733506e-01 1.83802332e-01 1.83802332e-01] [4.92733506e-01 8.16197668e-01 3.16197668e-01] [8.16197668e-01 6.83802332e-01 5.07266494e-01] [9.92733506e-01 6.83802332e-01 6.83802332e-01] [8.16197668e-01 5.07266494e-01 6.83802332e-01] [4.33802332e-01 6.61976684e-02 2.42733506e-01] [4.33802332e-01 2.42733506e-01 6.61976684e-02] [2.57266494e-01 6.61976684e-02 6.61976684e-02] [9.33802332e-01 9.33802332e-01 2.57266494e-01] [7.57266494e-01 9.33802332e-01 4.33802332e-01] [9.33802332e-01 7.57266494e-01 4.33802332e-01] [3.16197668e-01 3.16197668e-01 9.92733506e-01] [3.16197668e-01 4.92733506e-01 8.16197668e-01] [4.92733506e-01 3.16197668e-01 8.16197668e-01]] cellpar = Cell([[15.18050221414261, 6.281549682333823e-32, -5.6791380432673704e-33], [1.8441903835173612e-32, 15.18050221414261, -4.426486166988624e-18], [-4.6817518398060694e-32, -4.4264861669885896e-18, 15.18050221414261]]) forces = [[-2.08819678e-63 -4.52192496e-31 4.98971030e-31] [ 1.24742757e-31 -2.49485515e-31 3.11856894e-32] [ 2.49485515e-31 6.23713787e-32 6.23713787e-32] [ 1.24742757e-31 1.63724869e-31 -1.40335602e-31] [-4.36599651e-31 6.23713787e-32 1.09149913e-31] [-3.11856894e-31 -4.36599651e-31 -6.23713787e-32] [ 1.24742757e-31 2.29994459e-31 2.80671204e-31] [-4.36599651e-31 3.39144372e-31 -6.23713787e-32] [-4.33064442e-09 -4.33064442e-09 -4.33064442e-09] [ 4.33064442e-09 4.33064442e-09 -4.33064442e-09] [ 4.33064442e-09 -4.33064442e-09 4.33064442e-09] [-4.33064442e-09 4.33064442e-09 4.33064442e-09] [-4.33064442e-09 -4.33064442e-09 4.33064442e-09] [ 4.33064442e-09 4.33064442e-09 4.33064442e-09] [-4.33064442e-09 4.33064442e-09 -4.33064442e-09] [ 4.33064442e-09 -4.33064442e-09 -4.33064442e-09] [-4.33064442e-09 -4.33064442e-09 4.33064442e-09] [-4.33064442e-09 4.33064442e-09 -4.33064442e-09] [ 4.33064442e-09 -4.33064442e-09 -4.33064442e-09] [ 4.33064442e-09 4.33064442e-09 -4.33064442e-09] [ 4.33064442e-09 -4.33064442e-09 4.33064442e-09] [-4.33064442e-09 4.33064442e-09 4.33064442e-09] [-4.33064442e-09 -4.33064442e-09 -4.33064442e-09] [ 4.33064442e-09 4.33064442e-09 -4.33064442e-09] [ 4.33064442e-09 -4.33064442e-09 4.33064442e-09] [-4.33064442e-09 -4.33064442e-09 4.33064442e-09] [ 4.33064442e-09 4.33064442e-09 4.33064442e-09] [-4.33064442e-09 4.33064442e-09 -4.33064442e-09] [-4.33064442e-09 -4.33064442e-09 4.33064442e-09] [-4.33064442e-09 4.33064442e-09 -4.33064442e-09] [ 4.33064442e-09 4.33064442e-09 -4.33064442e-09] [ 4.33064442e-09 -4.33064442e-09 4.33064442e-09] [-4.33064442e-09 -4.33064442e-09 -4.33064442e-09] [-4.33064442e-09 4.33064442e-09 4.33064442e-09] [ 4.33064442e-09 4.33064442e-09 4.33064442e-09] [ 4.33064442e-09 -4.33064442e-09 -4.33064442e-09] [ 4.33064442e-09 -4.33064442e-09 -4.33064442e-09] [-4.33064442e-09 4.33064442e-09 4.33064442e-09] [-4.33064442e-09 -4.33064442e-09 -4.33064442e-09] [ 4.33064442e-09 4.33064442e-09 4.33064442e-09] [-4.95361149e-11 -4.95361149e-11 5.69804669e-09] [ 4.95361149e-11 4.95361149e-11 5.69804669e-09] [ 4.95361149e-11 -4.95361149e-11 -5.69804669e-09] [-4.95361149e-11 4.95361149e-11 -5.69804669e-09] [ 5.69804669e-09 -4.95361149e-11 -4.95361149e-11] [ 5.69804669e-09 4.95361149e-11 4.95361149e-11] [-5.69804669e-09 4.95361149e-11 -4.95361149e-11] [-5.69804669e-09 -4.95361149e-11 4.95361149e-11] [-4.95361149e-11 5.69804669e-09 -4.95361149e-11] [ 4.95361149e-11 5.69804669e-09 4.95361149e-11] [-4.95361149e-11 -5.69804669e-09 4.95361149e-11] [ 4.95361149e-11 -5.69804669e-09 -4.95361149e-11] [-4.95361149e-11 -4.95361149e-11 -5.69804669e-09] [ 4.95361149e-11 4.95361149e-11 -5.69804669e-09] [-4.95361149e-11 4.95361149e-11 5.69804669e-09] [ 4.95361149e-11 -4.95361149e-11 5.69804669e-09] [-4.95361149e-11 5.69804669e-09 4.95361149e-11] [ 4.95361149e-11 5.69804669e-09 -4.95361149e-11] [ 4.95361149e-11 -5.69804669e-09 4.95361149e-11] [-4.95361149e-11 -5.69804669e-09 -4.95361149e-11] [ 5.69804669e-09 -4.95361149e-11 4.95361149e-11] [ 5.69804669e-09 4.95361149e-11 -4.95361149e-11] [-5.69804669e-09 -4.95361149e-11 -4.95361149e-11] [-5.69804669e-09 4.95361149e-11 4.95361149e-11] [-4.95361149e-11 -4.95361149e-11 -5.69804669e-09] [-4.95361149e-11 4.95361149e-11 5.69804669e-09] [ 4.95361149e-11 -4.95361149e-11 5.69804669e-09] [-5.69804669e-09 -4.95361149e-11 -4.95361149e-11] [ 5.69804669e-09 -4.95361149e-11 4.95361149e-11] [ 5.69804669e-09 4.95361149e-11 -4.95361149e-11] [-4.95361149e-11 -5.69804669e-09 -4.95361149e-11] [ 4.95361149e-11 5.69804669e-09 -4.95361149e-11] [-4.95361149e-11 5.69804669e-09 4.95361149e-11] [ 4.95361149e-11 4.95361149e-11 5.69804669e-09] [ 4.95361149e-11 -4.95361149e-11 -5.69804669e-09] [-4.95361149e-11 4.95361149e-11 -5.69804669e-09] [ 4.95361149e-11 -5.69804669e-09 -4.95361149e-11] [-4.95361149e-11 -5.69804669e-09 4.95361149e-11] [ 4.95361149e-11 5.69804669e-09 4.95361149e-11] [-5.69804669e-09 4.95361149e-11 -4.95361149e-11] [-5.69804669e-09 -4.95361149e-11 4.95361149e-11] [ 5.69804669e-09 4.95361149e-11 4.95361149e-11] [-4.95361149e-11 -4.95361149e-11 5.69804669e-09] [ 4.95361149e-11 4.95361149e-11 5.69804669e-09] [ 4.95361149e-11 -4.95361149e-11 -5.69804669e-09] [ 5.69804669e-09 -4.95361149e-11 -4.95361149e-11] [-5.69804669e-09 4.95361149e-11 -4.95361149e-11] [-5.69804669e-09 -4.95361149e-11 4.95361149e-11] [-4.95361149e-11 5.69804669e-09 -4.95361149e-11] [ 4.95361149e-11 5.69804669e-09 4.95361149e-11] [ 4.95361149e-11 -5.69804669e-09 -4.95361149e-11] [-4.95361149e-11 -4.95361149e-11 -5.69804669e-09] [ 4.95361149e-11 4.95361149e-11 -5.69804669e-09] [-4.95361149e-11 4.95361149e-11 5.69804669e-09] [-4.95361149e-11 5.69804669e-09 4.95361149e-11] [ 4.95361149e-11 -5.69804669e-09 4.95361149e-11] [-4.95361149e-11 -5.69804669e-09 -4.95361149e-11] [ 5.69804669e-09 -4.95361149e-11 4.95361149e-11] [ 5.69804669e-09 4.95361149e-11 -4.95361149e-11] [-5.69804669e-09 4.95361149e-11 4.95361149e-11] [-4.95361149e-11 -4.95361149e-11 -5.69804669e-09] [-4.95361149e-11 4.95361149e-11 5.69804669e-09] [ 5.69804669e-09 -4.95361149e-11 4.95361149e-11] [ 5.69804669e-09 4.95361149e-11 -4.95361149e-11] [-4.95361149e-11 -5.69804669e-09 -4.95361149e-11] [-4.95361149e-11 5.69804669e-09 4.95361149e-11] [ 4.95361149e-11 4.95361149e-11 5.69804669e-09] [ 4.95361149e-11 -4.95361149e-11 -5.69804669e-09] [ 4.95361149e-11 -5.69804669e-09 -4.95361149e-11] [ 4.95361149e-11 5.69804669e-09 4.95361149e-11] [-5.69804669e-09 4.95361149e-11 -4.95361149e-11] [-5.69804669e-09 -4.95361149e-11 4.95361149e-11] [-4.95361149e-11 -4.95361149e-11 5.69804669e-09] [-4.95361149e-11 4.95361149e-11 -5.69804669e-09] [ 5.69804669e-09 -4.95361149e-11 -4.95361149e-11] [ 5.69804669e-09 4.95361149e-11 4.95361149e-11] [-4.95361149e-11 5.69804669e-09 -4.95361149e-11] [-4.95361149e-11 -5.69804669e-09 4.95361149e-11] [ 4.95361149e-11 4.95361149e-11 -5.69804669e-09] [ 4.95361149e-11 -4.95361149e-11 5.69804669e-09] [ 4.95361149e-11 5.69804669e-09 -4.95361149e-11] [ 4.95361149e-11 -5.69804669e-09 4.95361149e-11] [-5.69804669e-09 -4.95361149e-11 -4.95361149e-11] [-5.69804669e-09 4.95361149e-11 4.95361149e-11] [ 4.95361149e-11 -4.95361149e-11 5.69804669e-09] [-5.69804669e-09 -4.95361149e-11 -4.95361149e-11] [ 4.95361149e-11 5.69804669e-09 -4.95361149e-11] [-4.95361149e-11 4.95361149e-11 -5.69804669e-09] [-4.95361149e-11 -5.69804669e-09 4.95361149e-11] [ 5.69804669e-09 4.95361149e-11 4.95361149e-11] [-4.95361149e-11 -4.95361149e-11 5.69804669e-09] [ 5.69804669e-09 -4.95361149e-11 -4.95361149e-11] [-4.95361149e-11 5.69804669e-09 -4.95361149e-11] [ 4.95361149e-11 4.95361149e-11 -5.69804669e-09] [ 4.95361149e-11 -5.69804669e-09 4.95361149e-11] [-5.69804669e-09 4.95361149e-11 4.95361149e-11]] stress = [-5.35713141e-11 -5.35713141e-11 -5.35713141e-11 6.30601947e-27 -2.85263961e-34 3.88663413e-51] energy per atom = -3.8163196923346767 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0