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 16:02:31 -486.136444 2.734324 BFGS: 1 16:02:33 -493.763349 2.170512 BFGS: 2 16:02:34 -497.250941 1.774571 BFGS: 3 16:02:35 -498.608514 1.604173 BFGS: 4 16:02:36 -499.822297 1.608614 BFGS: 5 16:02:37 -501.106072 1.764543 BFGS: 6 16:02:39 -502.442139 1.859137 BFGS: 7 16:02:40 -503.796891 1.896316 BFGS: 8 16:02:41 -505.133466 1.876974 BFGS: 9 16:02:43 -506.414638 1.802748 BFGS: 10 16:02:44 -507.607381 1.677300 BFGS: 11 16:02:44 -508.687127 1.506763 BFGS: 12 16:02:45 -509.640469 1.299763 BFGS: 13 16:02:46 -510.465676 1.153990 BFGS: 14 16:02:47 -511.170800 1.145866 BFGS: 15 16:02:48 -511.769725 1.144372 BFGS: 16 16:02:48 -512.277242 1.149020 BFGS: 17 16:02:49 -512.705066 1.158860 BFGS: 18 16:02:51 -513.060808 1.172332 BFGS: 19 16:02:52 -513.350582 1.187185 BFGS: 20 16:02:53 -513.583312 1.200696 BFGS: 21 16:02:54 -513.772642 1.210337 BFGS: 22 16:02:55 -513.934098 1.214624 BFGS: 23 16:02:56 -514.080472 1.213390 BFGS: 24 16:02:57 -514.219840 1.207322 BFGS: 25 16:02:58 -514.356443 1.197349 BFGS: 26 16:02:58 -514.492245 1.184315 BFGS: 27 16:02:59 -514.628044 1.168888 BFGS: 28 16:02:59 -514.764078 1.151577 BFGS: 29 16:03:00 -514.900317 1.132769 BFGS: 30 16:03:00 -515.036606 1.112758 BFGS: 31 16:03:01 -515.172739 1.091774 BFGS: 32 16:03:02 -515.308483 1.070000 BFGS: 33 16:03:03 -515.443604 1.047583 BFGS: 34 16:03:04 -515.577873 1.024646 BFGS: 35 16:03:04 -515.711068 1.001288 BFGS: 36 16:03:05 -515.842978 0.977596 BFGS: 37 16:03:05 -515.973408 0.953642 BFGS: 38 16:03:06 -516.102172 0.929489 BFGS: 39 16:03:07 -516.229102 0.905190 BFGS: 40 16:03:08 -516.354038 0.880793 BFGS: 41 16:03:09 -516.476838 0.856339 BFGS: 42 16:03:10 -516.597369 0.831864 BFGS: 43 16:03:10 -516.715510 0.807401 BFGS: 44 16:03:11 -516.831155 0.782977 BFGS: 45 16:03:11 -516.944204 0.758618 BFGS: 46 16:03:12 -517.054571 0.734347 BFGS: 47 16:03:13 -517.162178 0.710183 BFGS: 48 16:03:14 -517.266957 0.686144 BFGS: 49 16:03:14 -517.368848 0.662247 BFGS: 50 16:03:16 -517.467798 0.638506 BFGS: 51 16:03:16 -517.563763 0.614934 BFGS: 52 16:03:17 -517.656705 0.591543 BFGS: 53 16:03:18 -517.746592 0.568343 BFGS: 54 16:03:19 -517.833399 0.545343 BFGS: 55 16:03:20 -517.917106 0.522553 BFGS: 56 16:03:21 -517.997696 0.499980 BFGS: 57 16:03:22 -518.075158 0.477631 BFGS: 58 16:03:23 -518.149487 0.455512 BFGS: 59 16:03:23 -518.220678 0.433629 BFGS: 60 16:03:24 -518.288733 0.411987 BFGS: 61 16:03:25 -518.353654 0.390590 BFGS: 62 16:03:27 -518.415448 0.369443 BFGS: 63 16:03:29 -518.474123 0.348550 BFGS: 64 16:03:31 -518.529690 0.327913 BFGS: 65 16:03:32 -518.582163 0.307535 BFGS: 66 16:03:34 -518.631556 0.287420 BFGS: 67 16:03:34 -518.677886 0.267569 BFGS: 68 16:03:35 -518.721171 0.247985 BFGS: 69 16:03:36 -518.761429 0.228669 BFGS: 70 16:03:37 -518.798680 0.209623 BFGS: 71 16:03:37 -518.832946 0.190849 BFGS: 72 16:03:38 -518.864248 0.172347 BFGS: 73 16:03:39 -518.892608 0.154120 BFGS: 74 16:03:39 -518.918048 0.136168 BFGS: 75 16:03:40 -518.940590 0.118493 BFGS: 76 16:03:41 -518.960256 0.101097 BFGS: 77 16:03:42 -518.977067 0.083981 BFGS: 78 16:03:43 -518.991042 0.067148 BFGS: 79 16:03:43 -519.002200 0.050603 BFGS: 80 16:03:44 -519.010554 0.034563 BFGS: 81 16:03:45 -519.016112 0.023731 BFGS: 82 16:03:46 -519.018869 0.012488 BFGS: 83 16:03:47 -519.019221 0.007049 BFGS: 84 16:03:48 -519.019282 0.005688 BFGS: 85 16:03:48 -519.019452 0.002296 BFGS: 86 16:03:51 -519.019475 0.000746 BFGS: 87 16:03:52 -519.019478 0.000462 BFGS: 88 16:03:53 -519.019478 0.000280 BFGS: 89 16:03:54 -519.019478 0.000069 BFGS: 90 16:03:58 -519.019478 0.000045 BFGS: 91 16:03:59 -519.019478 0.000034 BFGS: 92 16:04:01 -519.019478 0.000020 BFGS: 93 16:04:03 -519.019478 0.000006 BFGS: 94 16:04:04 -519.019478 0.000001 BFGS: 95 16:04:06 -519.019478 0.000000 BFGS: 96 16:04:07 -519.019478 0.000000 Minimization converged after 96 steps. Maximum force component: 5.698047456341139e-09 eV/Angstrom Maximum stress component: 5.3571306349775765e-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 = [[8.26408122e-34 0.00000000e+00 1.94700614e-34] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 5.45535230e-33] [5.00000000e-01 0.00000000e+00 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, 1.804417098000954e-32, 6.003028184034991e-32], [1.3887589359433663e-32, 15.18050221414261, -6.935200128716659e-18], [2.8271922018503243e-32, -6.9352001287166265e-18, 15.18050221414261]]) forces = [[ 5.30156719e-31 -1.21624189e-30 -8.73199302e-31] [-9.66756370e-31 5.14563875e-31 4.05413962e-31] [ 2.57281937e-31 3.11856894e-32 -5.76935253e-31] [-9.51163526e-31 -2.49485515e-31 8.73199302e-31] [-1.87114136e-31 -3.11856894e-31 -5.92528098e-31] [ 5.30156719e-31 -3.11856894e-31 1.87114136e-31] [-3.11856894e-32 -7.79642234e-31 -6.70492321e-31] [ 5.30156719e-31 -2.18299826e-31 -1.24742757e-31] [-4.33064955e-09 -4.33064955e-09 -4.33064955e-09] [ 4.33064955e-09 4.33064955e-09 -4.33064955e-09] [ 4.33064955e-09 -4.33064955e-09 4.33064955e-09] [-4.33064955e-09 4.33064955e-09 4.33064955e-09] [-4.33064955e-09 -4.33064955e-09 4.33064955e-09] [ 4.33064955e-09 4.33064955e-09 4.33064955e-09] [-4.33064955e-09 4.33064955e-09 -4.33064955e-09] [ 4.33064955e-09 -4.33064955e-09 -4.33064955e-09] [-4.33064955e-09 -4.33064955e-09 4.33064955e-09] [-4.33064955e-09 4.33064955e-09 -4.33064955e-09] [ 4.33064955e-09 -4.33064955e-09 -4.33064955e-09] [ 4.33064955e-09 4.33064955e-09 -4.33064955e-09] [ 4.33064955e-09 -4.33064955e-09 4.33064955e-09] [-4.33064955e-09 4.33064955e-09 4.33064955e-09] [-4.33064955e-09 -4.33064955e-09 -4.33064955e-09] [ 4.33064955e-09 4.33064955e-09 -4.33064955e-09] [ 4.33064955e-09 -4.33064955e-09 4.33064955e-09] [-4.33064955e-09 -4.33064955e-09 4.33064955e-09] [ 4.33064955e-09 4.33064955e-09 4.33064955e-09] [-4.33064955e-09 4.33064955e-09 -4.33064955e-09] [-4.33064955e-09 -4.33064955e-09 4.33064955e-09] [-4.33064955e-09 4.33064955e-09 -4.33064955e-09] [ 4.33064955e-09 4.33064955e-09 -4.33064955e-09] [ 4.33064955e-09 -4.33064955e-09 4.33064955e-09] [-4.33064955e-09 -4.33064955e-09 -4.33064955e-09] [-4.33064955e-09 4.33064955e-09 4.33064955e-09] [ 4.33064955e-09 4.33064955e-09 4.33064955e-09] [ 4.33064955e-09 -4.33064955e-09 -4.33064955e-09] [ 4.33064955e-09 -4.33064955e-09 -4.33064955e-09] [-4.33064955e-09 4.33064955e-09 4.33064955e-09] [-4.33064955e-09 -4.33064955e-09 -4.33064955e-09] [ 4.33064955e-09 4.33064955e-09 4.33064955e-09] [-4.95436767e-11 -4.95436767e-11 5.69804746e-09] [ 4.95436767e-11 4.95436767e-11 5.69804746e-09] [ 4.95436767e-11 -4.95436767e-11 -5.69804746e-09] [-4.95436767e-11 4.95436767e-11 -5.69804746e-09] [ 5.69804746e-09 -4.95436767e-11 -4.95436767e-11] [ 5.69804746e-09 4.95436767e-11 4.95436767e-11] [-5.69804746e-09 4.95436767e-11 -4.95436767e-11] [-5.69804746e-09 -4.95436767e-11 4.95436767e-11] [-4.95436767e-11 5.69804746e-09 -4.95436767e-11] [ 4.95436767e-11 5.69804746e-09 4.95436767e-11] [-4.95436767e-11 -5.69804746e-09 4.95436767e-11] [ 4.95436767e-11 -5.69804746e-09 -4.95436767e-11] [-4.95436767e-11 -4.95436767e-11 -5.69804746e-09] [ 4.95436767e-11 4.95436767e-11 -5.69804746e-09] [-4.95436767e-11 4.95436767e-11 5.69804746e-09] [ 4.95436767e-11 -4.95436767e-11 5.69804746e-09] [-4.95436767e-11 5.69804746e-09 4.95436767e-11] [ 4.95436767e-11 5.69804746e-09 -4.95436767e-11] [ 4.95436767e-11 -5.69804746e-09 4.95436767e-11] [-4.95436767e-11 -5.69804746e-09 -4.95436767e-11] [ 5.69804746e-09 -4.95436767e-11 4.95436767e-11] [ 5.69804746e-09 4.95436767e-11 -4.95436767e-11] [-5.69804746e-09 -4.95436767e-11 -4.95436767e-11] [-5.69804746e-09 4.95436767e-11 4.95436767e-11] [-4.95436767e-11 -4.95436767e-11 -5.69804746e-09] [-4.95436767e-11 4.95436767e-11 5.69804746e-09] [ 4.95436767e-11 -4.95436767e-11 5.69804746e-09] [-5.69804746e-09 -4.95436767e-11 -4.95436767e-11] [ 5.69804746e-09 -4.95436767e-11 4.95436767e-11] [ 5.69804746e-09 4.95436767e-11 -4.95436767e-11] [-4.95436767e-11 -5.69804746e-09 -4.95436767e-11] [ 4.95436767e-11 5.69804746e-09 -4.95436767e-11] [-4.95436767e-11 5.69804746e-09 4.95436767e-11] [ 4.95436767e-11 4.95436767e-11 5.69804746e-09] [ 4.95436767e-11 -4.95436767e-11 -5.69804746e-09] [-4.95436767e-11 4.95436767e-11 -5.69804746e-09] [ 4.95436767e-11 -5.69804746e-09 -4.95436767e-11] [-4.95436767e-11 -5.69804746e-09 4.95436767e-11] [ 4.95436767e-11 5.69804746e-09 4.95436767e-11] [-5.69804746e-09 4.95436767e-11 -4.95436767e-11] [-5.69804746e-09 -4.95436767e-11 4.95436767e-11] [ 5.69804746e-09 4.95436767e-11 4.95436767e-11] [-4.95436767e-11 -4.95436767e-11 5.69804746e-09] [ 4.95436767e-11 4.95436767e-11 5.69804746e-09] [ 4.95436767e-11 -4.95436767e-11 -5.69804746e-09] [ 5.69804746e-09 -4.95436767e-11 -4.95436767e-11] [-5.69804746e-09 4.95436767e-11 -4.95436767e-11] [-5.69804746e-09 -4.95436767e-11 4.95436767e-11] [-4.95436767e-11 5.69804746e-09 -4.95436767e-11] [ 4.95436767e-11 5.69804746e-09 4.95436767e-11] [ 4.95436767e-11 -5.69804746e-09 -4.95436767e-11] [-4.95436767e-11 -4.95436767e-11 -5.69804746e-09] [ 4.95436767e-11 4.95436767e-11 -5.69804746e-09] [-4.95436767e-11 4.95436767e-11 5.69804746e-09] [-4.95436767e-11 5.69804746e-09 4.95436767e-11] [ 4.95436767e-11 -5.69804746e-09 4.95436767e-11] [-4.95436767e-11 -5.69804746e-09 -4.95436767e-11] [ 5.69804746e-09 -4.95436767e-11 4.95436767e-11] [ 5.69804746e-09 4.95436767e-11 -4.95436767e-11] [-5.69804746e-09 4.95436767e-11 4.95436767e-11] [-4.95436767e-11 -4.95436767e-11 -5.69804746e-09] [-4.95436767e-11 4.95436767e-11 5.69804746e-09] [ 5.69804746e-09 -4.95436767e-11 4.95436767e-11] [ 5.69804746e-09 4.95436767e-11 -4.95436767e-11] [-4.95436767e-11 -5.69804746e-09 -4.95436767e-11] [-4.95436767e-11 5.69804746e-09 4.95436767e-11] [ 4.95436767e-11 4.95436767e-11 5.69804746e-09] [ 4.95436767e-11 -4.95436767e-11 -5.69804746e-09] [ 4.95436767e-11 -5.69804746e-09 -4.95436767e-11] [ 4.95436767e-11 5.69804746e-09 4.95436767e-11] [-5.69804746e-09 4.95436767e-11 -4.95436767e-11] [-5.69804746e-09 -4.95436767e-11 4.95436767e-11] [-4.95436767e-11 -4.95436767e-11 5.69804746e-09] [-4.95436767e-11 4.95436767e-11 -5.69804746e-09] [ 5.69804746e-09 -4.95436767e-11 -4.95436767e-11] [ 5.69804746e-09 4.95436767e-11 4.95436767e-11] [-4.95436767e-11 5.69804746e-09 -4.95436767e-11] [-4.95436767e-11 -5.69804746e-09 4.95436767e-11] [ 4.95436767e-11 4.95436767e-11 -5.69804746e-09] [ 4.95436767e-11 -4.95436767e-11 5.69804746e-09] [ 4.95436767e-11 5.69804746e-09 -4.95436767e-11] [ 4.95436767e-11 -5.69804746e-09 4.95436767e-11] [-5.69804746e-09 -4.95436767e-11 -4.95436767e-11] [-5.69804746e-09 4.95436767e-11 4.95436767e-11] [ 4.95436767e-11 -4.95436767e-11 5.69804746e-09] [-5.69804746e-09 -4.95436767e-11 -4.95436767e-11] [ 4.95436767e-11 5.69804746e-09 -4.95436767e-11] [-4.95436767e-11 4.95436767e-11 -5.69804746e-09] [-4.95436767e-11 -5.69804746e-09 4.95436767e-11] [ 5.69804746e-09 4.95436767e-11 4.95436767e-11] [-4.95436767e-11 -4.95436767e-11 5.69804746e-09] [ 5.69804746e-09 -4.95436767e-11 -4.95436767e-11] [-4.95436767e-11 5.69804746e-09 -4.95436767e-11] [ 4.95436767e-11 4.95436767e-11 -5.69804746e-09] [ 4.95436767e-11 -5.69804746e-09 4.95436767e-11] [-5.69804746e-09 4.95436767e-11 4.95436767e-11]] stress = [-5.35713063e-11 -5.35713063e-11 -5.35713063e-11 2.13679219e-26 -4.27895942e-34 1.46041409e-49] energy per atom = -3.8163196923346923 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0