element(s): ['Si'] AFLOW prototype label: A_tP106_137_a5g4h Parameter names: ['a', 'c/a', 'y2', 'z2', 'y3', 'z3', 'y4', 'z4', 'y5', 'z5', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['10.1614', '2.3850257', '0.93992864', '0.19609985', '0.87847441', '0.10226691', '0.13030281', '0.77487209', '0.98453855', '0.85341975', '0.13332475', '0.92680675', '0.43292986', '0.065760748', '0.72131569', '0.45643579', '0.87171028', '0.86152967', '0.57092716', '0.9958931', '0.93303081', '0.43052092', '0.13256247', '0.98508065'] model name: SNAP_ZuoChenLi_2019_Si__MO_869330304805_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0. 0. 0. ] [0. 0.18992864 0.94609985] [0. 0.12847441 0.85226691] [0. 0.38030281 0.52487209] [0. 0.23453855 0.60341975] [0. 0.38332475 0.67680675] [0.18292986 0.31576075 0.47131569] [0.20643579 0.12171028 0.61152967] [0.32092716 0.2458931 0.68303081] [0.18052092 0.38256247 0.73508065]] spacegroup = 137 cell = [[10.1614, 0, 0], [0, 10.1614, 0], [0, 0, 24.2352]] ========================================= Step Time Energy fmax BFGS: 0 17:36:28 -558.301099 0.644353 BFGS: 1 17:36:29 -558.474231 0.550562 BFGS: 2 17:36:30 -558.832331 0.244853 BFGS: 3 17:36:31 -558.860305 0.198210 BFGS: 4 17:36:32 -558.929084 0.096396 BFGS: 5 17:36:32 -558.934215 0.095031 BFGS: 6 17:36:33 -558.955065 0.084086 BFGS: 7 17:36:33 -558.961473 0.081428 BFGS: 8 17:36:34 -558.971209 0.101287 BFGS: 9 17:36:34 -558.978710 0.086009 BFGS: 10 17:36:35 -558.984283 0.069516 BFGS: 11 17:36:36 -558.986726 0.069691 BFGS: 12 17:36:36 -558.988501 0.069229 BFGS: 13 17:36:37 -558.990196 0.068965 BFGS: 14 17:36:37 -558.991502 0.069213 BFGS: 15 17:36:38 -558.992247 0.069612 BFGS: 16 17:36:38 -558.992770 0.069749 BFGS: 17 17:36:38 -558.993330 0.069474 BFGS: 18 17:36:39 -558.993938 0.068738 BFGS: 19 17:36:39 -558.994594 0.067747 BFGS: 20 17:36:40 -558.995451 0.066620 BFGS: 21 17:36:40 -558.996815 0.065241 BFGS: 22 17:36:41 -558.998970 0.066326 BFGS: 23 17:36:41 -559.001488 0.073286 BFGS: 24 17:36:41 -559.004067 0.068105 BFGS: 25 17:36:42 -559.006624 0.056266 BFGS: 26 17:36:43 -559.009092 0.052637 BFGS: 27 17:36:43 -559.011473 0.048971 BFGS: 28 17:36:44 -559.013803 0.048911 BFGS: 29 17:36:44 -559.016113 0.046570 BFGS: 30 17:36:45 -559.018428 0.055080 BFGS: 31 17:36:45 -559.020764 0.061170 BFGS: 32 17:36:46 -559.023126 0.064371 BFGS: 33 17:36:46 -559.025512 0.064835 BFGS: 34 17:36:47 -559.027906 0.062893 BFGS: 35 17:36:48 -559.030287 0.058891 BFGS: 36 17:36:49 -559.032626 0.053131 BFGS: 37 17:36:49 -559.034888 0.045855 BFGS: 38 17:36:49 -559.037031 0.042197 BFGS: 39 17:36:50 -559.039008 0.040476 BFGS: 40 17:36:51 -559.040760 0.036362 BFGS: 41 17:36:52 -559.042214 0.028419 BFGS: 42 17:36:52 -559.043224 0.018728 BFGS: 43 17:36:53 -559.043608 0.018689 BFGS: 44 17:36:54 -559.044071 0.018713 BFGS: 45 17:36:54 -559.044187 0.018697 BFGS: 46 17:36:55 -559.044284 0.018581 BFGS: 47 17:36:56 -559.044386 0.018331 BFGS: 48 17:36:56 -559.044512 0.017900 BFGS: 49 17:36:57 -559.044645 0.017382 BFGS: 50 17:36:57 -559.044815 0.016715 BFGS: 51 17:36:58 -559.045035 0.016156 BFGS: 52 17:36:58 -559.045263 0.014819 BFGS: 53 17:36:59 -559.045424 0.013954 BFGS: 54 17:36:59 -559.045522 0.013276 BFGS: 55 17:37:00 -559.045612 0.012453 BFGS: 56 17:37:00 -559.045725 0.011077 BFGS: 57 17:37:00 -559.045849 0.010842 BFGS: 58 17:37:01 -559.045952 0.009332 BFGS: 59 17:37:01 -559.046021 0.007456 BFGS: 60 17:37:01 -559.046070 0.007229 BFGS: 61 17:37:02 -559.046108 0.007603 BFGS: 62 17:37:02 -559.046141 0.007769 BFGS: 63 17:37:03 -559.046176 0.006916 BFGS: 64 17:37:03 -559.046216 0.004927 BFGS: 65 17:37:03 -559.046257 0.005191 BFGS: 66 17:37:03 -559.046293 0.006287 BFGS: 67 17:37:03 -559.046325 0.006558 BFGS: 68 17:37:04 -559.046357 0.005490 BFGS: 69 17:37:04 -559.046387 0.003319 BFGS: 70 17:37:04 -559.046405 0.002030 BFGS: 71 17:37:04 -559.046412 0.001441 BFGS: 72 17:37:05 -559.046414 0.000998 BFGS: 73 17:37:05 -559.046416 0.000507 BFGS: 74 17:37:05 -559.046416 0.000344 BFGS: 75 17:37:05 -559.046416 0.000285 BFGS: 76 17:37:05 -559.046416 0.000203 BFGS: 77 17:37:05 -559.046416 0.000123 BFGS: 78 17:37:06 -559.046416 0.000137 BFGS: 79 17:37:06 -559.046416 0.000145 BFGS: 80 17:37:06 -559.046416 0.000140 BFGS: 81 17:37:07 -559.046416 0.000129 BFGS: 82 17:37:07 -559.046416 0.000137 BFGS: 83 17:37:07 -559.046416 0.000149 BFGS: 84 17:37:08 -559.046416 0.000131 BFGS: 85 17:37:08 -559.046416 0.000093 BFGS: 86 17:37:08 -559.046416 0.000051 BFGS: 87 17:37:09 -559.046416 0.000024 BFGS: 88 17:37:09 -559.046416 0.000017 BFGS: 89 17:37:09 -559.046416 0.000009 BFGS: 90 17:37:10 -559.046416 0.000005 BFGS: 91 17:37:10 -559.046416 0.000002 BFGS: 92 17:37:10 -559.046416 0.000001 BFGS: 93 17:37:11 -559.046416 0.000001 BFGS: 94 17:37:11 -559.046416 0.000001 BFGS: 95 17:37:11 -559.046416 0.000000 BFGS: 96 17:37:11 -559.046416 0.000000 BFGS: 97 17:37:12 -559.046416 0.000000 BFGS: 98 17:37:12 -559.046416 0.000000 BFGS: 99 17:37:12 -559.046416 0.000000 BFGS: 100 17:37:12 -559.046416 0.000000 BFGS: 101 17:37:12 -559.046416 0.000000 BFGS: 102 17:37:12 -559.046416 0.000000 BFGS: 103 17:37:13 -559.046416 0.000000 BFGS: 104 17:37:13 -559.046416 0.000000 BFGS: 105 17:37:13 -559.046416 0.000000 Minimization converged after 105 steps. Maximum force component: 8.460949860438632e-09 eV/Angstrom Maximum stress component: 3.8123167446435864e-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'] basis = [[5.54680923e-34 0.00000000e+00 7.70331391e-33] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [7.46562673e-35 1.88785272e-01 9.43428806e-01] [3.20840798e-33 8.11214728e-01 9.43428806e-01] [3.11214728e-01 5.00000000e-01 4.43428806e-01] [6.88785272e-01 5.00000000e-01 4.43428806e-01] [5.00000000e-01 6.88785272e-01 5.56571194e-01] [5.00000000e-01 3.11214728e-01 5.56571194e-01] [1.88785272e-01 0.00000000e+00 5.65711941e-02] [8.11214728e-01 7.80345239e-33 5.65711941e-02] [0.00000000e+00 1.24884067e-01 8.49249681e-01] [3.13194744e-35 8.75115933e-01 8.49249681e-01] [3.75115933e-01 5.00000000e-01 3.49249681e-01] [6.24884067e-01 5.00000000e-01 3.49249681e-01] [5.00000000e-01 6.24884067e-01 6.50750319e-01] [5.00000000e-01 3.75115933e-01 6.50750319e-01] [1.24884067e-01 0.00000000e+00 1.50750319e-01] [8.75115933e-01 0.00000000e+00 1.50750319e-01] [0.00000000e+00 3.80695904e-01 5.23799904e-01] [0.00000000e+00 6.19304096e-01 5.23799904e-01] [1.19304096e-01 5.00000000e-01 2.37999039e-02] [8.80695904e-01 5.00000000e-01 2.37999039e-02] [5.00000000e-01 8.80695904e-01 9.76200096e-01] [5.00000000e-01 1.19304096e-01 9.76200096e-01] [3.80695904e-01 0.00000000e+00 4.76200096e-01] [6.19304096e-01 4.03988256e-33 4.76200096e-01] [6.43406541e-33 2.39922780e-01 6.02641535e-01] [0.00000000e+00 7.60077220e-01 6.02641535e-01] [2.60077220e-01 5.00000000e-01 1.02641535e-01] [7.39922780e-01 5.00000000e-01 1.02641535e-01] [5.00000000e-01 7.39922780e-01 8.97358465e-01] [5.00000000e-01 2.60077220e-01 8.97358465e-01] [2.39922780e-01 3.81120996e-33 3.97358465e-01] [7.60077220e-01 6.09793593e-33 3.97358465e-01] [0.00000000e+00 3.81024236e-01 6.77321867e-01] [2.02886002e-32 6.18975764e-01 6.77321867e-01] [1.18975764e-01 5.00000000e-01 1.77321867e-01] [8.81024236e-01 5.00000000e-01 1.77321867e-01] [5.00000000e-01 8.81024236e-01 8.22678133e-01] [5.00000000e-01 1.18975764e-01 8.22678133e-01] [3.81024236e-01 0.00000000e+00 3.22678133e-01] [6.18975764e-01 0.00000000e+00 3.22678133e-01] [1.82980343e-01 3.13554644e-01 4.69759567e-01] [8.17019657e-01 6.86445356e-01 4.69759567e-01] [1.86445356e-01 6.82980343e-01 9.69759567e-01] [8.13554644e-01 3.17019657e-01 9.69759567e-01] [3.17019657e-01 8.13554644e-01 3.02404334e-02] [6.82980343e-01 1.86445356e-01 3.02404334e-02] [3.13554644e-01 1.82980343e-01 5.30240433e-01] [6.86445356e-01 8.17019657e-01 5.30240433e-01] [3.17019657e-01 1.86445356e-01 3.02404334e-02] [6.82980343e-01 8.13554644e-01 3.02404334e-02] [3.13554644e-01 8.17019657e-01 5.30240433e-01] [6.86445356e-01 1.82980343e-01 5.30240433e-01] [1.82980343e-01 6.86445356e-01 4.69759567e-01] [8.17019657e-01 3.13554644e-01 4.69759567e-01] [1.86445356e-01 3.17019657e-01 9.69759567e-01] [8.13554644e-01 6.82980343e-01 9.69759567e-01] [2.02383497e-01 1.20539721e-01 6.12270243e-01] [7.97616503e-01 8.79460279e-01 6.12270243e-01] [3.79460279e-01 7.02383497e-01 1.12270243e-01] [6.20539721e-01 2.97616503e-01 1.12270243e-01] [2.97616503e-01 6.20539721e-01 8.87729757e-01] [7.02383497e-01 3.79460279e-01 8.87729757e-01] [1.20539721e-01 2.02383497e-01 3.87729757e-01] [8.79460279e-01 7.97616503e-01 3.87729757e-01] [2.97616503e-01 3.79460279e-01 8.87729757e-01] [7.02383497e-01 6.20539721e-01 8.87729757e-01] [1.20539721e-01 7.97616503e-01 3.87729757e-01] [8.79460279e-01 2.02383497e-01 3.87729757e-01] [2.02383497e-01 8.79460279e-01 6.12270243e-01] [7.97616503e-01 1.20539721e-01 6.12270243e-01] [3.79460279e-01 2.97616503e-01 1.12270243e-01] [6.20539721e-01 7.02383497e-01 1.12270243e-01] [3.17161840e-01 2.43545910e-01 6.81483024e-01] [6.82838160e-01 7.56454090e-01 6.81483024e-01] [2.56454090e-01 8.17161840e-01 1.81483024e-01] [7.43545910e-01 1.82838160e-01 1.81483024e-01] [1.82838160e-01 7.43545910e-01 8.18516976e-01] [8.17161840e-01 2.56454090e-01 8.18516976e-01] [2.43545910e-01 3.17161840e-01 3.18516976e-01] [7.56454090e-01 6.82838160e-01 3.18516976e-01] [1.82838160e-01 2.56454090e-01 8.18516976e-01] [8.17161840e-01 7.43545910e-01 8.18516976e-01] [2.43545910e-01 6.82838160e-01 3.18516976e-01] [7.56454090e-01 3.17161840e-01 3.18516976e-01] [3.17161840e-01 7.56454090e-01 6.81483024e-01] [6.82838160e-01 2.43545910e-01 6.81483024e-01] [2.56454090e-01 1.82838160e-01 1.81483024e-01] [7.43545910e-01 8.17161840e-01 1.81483024e-01] [1.81610339e-01 3.82506901e-01 7.36042105e-01] [8.18389661e-01 6.17493099e-01 7.36042105e-01] [1.17493099e-01 6.81610339e-01 2.36042105e-01] [8.82506901e-01 3.18389661e-01 2.36042105e-01] [3.18389661e-01 8.82506901e-01 7.63957895e-01] [6.81610339e-01 1.17493099e-01 7.63957895e-01] [3.82506901e-01 1.81610339e-01 2.63957895e-01] [6.17493099e-01 8.18389661e-01 2.63957895e-01] [3.18389661e-01 1.17493099e-01 7.63957895e-01] [6.81610339e-01 8.82506901e-01 7.63957895e-01] [3.82506901e-01 8.18389661e-01 2.63957895e-01] [6.17493099e-01 1.81610339e-01 2.63957895e-01] [1.81610339e-01 6.17493099e-01 7.36042105e-01] [8.18389661e-01 3.82506901e-01 7.36042105e-01] [1.17493099e-01 3.18389661e-01 2.36042105e-01] [8.82506901e-01 6.81610339e-01 2.36042105e-01]] cellpar = Cell([[10.10665885699814, -1.3617376123387501e-37, 1.088950856474801e-39], [-4.31432831753021e-38, 10.106658856998147, 5.460335838632436e-18], [3.941073408130047e-38, 1.3124213372050418e-17, 24.50446053404659]]) forces = [[ 3.73722565e-31 -5.03541359e-69 4.02670668e-71] [-2.49148377e-31 3.35694239e-69 -2.68447112e-71] [ 2.78090979e-47 -8.46094986e-09 -5.16628863e-09] [-4.44270705e-47 8.46094986e-09 -5.16628863e-09] [ 8.46094986e-09 -2.76695384e-27 -5.16628863e-09] [-8.46094986e-09 -2.76698498e-27 -5.16628863e-09] [-6.22870942e-32 -8.46094986e-09 5.16628863e-09] [ 3.11435471e-32 8.46094986e-09 5.16628863e-09] [-8.46094986e-09 2.76698498e-27 5.16628863e-09] [ 8.46094986e-09 2.76698498e-27 5.16628863e-09] [ 6.69552422e-48 9.65059215e-10 6.72455959e-09] [-7.47445130e-31 -9.65059215e-10 6.72455959e-09] [-9.65059215e-10 3.60107272e-27 6.72455959e-09] [ 9.65059215e-10 3.60206932e-27 6.72455959e-09] [-1.49348095e-47 9.65059215e-10 -6.72455959e-09] [-6.69552422e-48 -9.65059215e-10 -6.72455959e-09] [ 9.65059215e-10 -3.60094815e-27 -6.72455959e-09] [-9.65059215e-10 -3.60253647e-27 -6.72455959e-09] [ 1.28759485e-47 -1.23649064e-09 4.72398148e-09] [ 2.31929143e-48 1.23649064e-09 4.72398148e-09] [ 1.23649064e-09 2.53021663e-27 4.72398148e-09] [-1.23649064e-09 2.53021663e-27 4.72398148e-09] [-2.31929143e-48 -1.23649064e-09 -4.72398148e-09] [-1.28759485e-47 1.23649064e-09 -4.72398148e-09] [-1.23649064e-09 -2.53009206e-27 -4.72398148e-09] [ 1.23649064e-09 -2.53009206e-27 -4.72398148e-09] [ 1.24574188e-31 2.64076846e-09 -5.41210618e-10] [ 2.49148377e-31 -2.64076846e-09 -5.41210618e-10] [-2.64076846e-09 -2.89864110e-28 -5.41210618e-10] [ 2.64076846e-09 -2.89864110e-28 -5.41210618e-10] [-3.42579018e-31 2.64076846e-09 5.41210618e-10] [-3.30900188e-32 -2.64076846e-09 5.41210618e-10] [ 2.64076846e-09 2.89864110e-28 5.41210618e-10] [-2.64076846e-09 2.89864110e-28 5.41210618e-10] [ 5.06082640e-31 -4.97031286e-09 1.78431689e-09] [ 1.05498766e-30 4.97031286e-09 1.78431689e-09] [ 4.97031286e-09 9.55652768e-28 1.78431689e-09] [-4.97031286e-09 9.55652768e-28 1.78431689e-09] [ 1.83475285e-47 -4.97031286e-09 -1.78431689e-09] [ 4.98296753e-31 4.97031286e-09 -1.78431689e-09] [-4.97031286e-09 -9.55403620e-28 -1.78431689e-09] [ 4.97031286e-09 -9.55279046e-28 -1.78431689e-09] [-9.18057958e-10 1.69324887e-09 2.57559683e-11] [ 9.18057958e-10 -1.69324887e-09 2.57559683e-11] [-1.69324887e-09 -9.18057958e-10 2.57559683e-11] [ 1.69324887e-09 9.18057958e-10 2.57559683e-11] [ 9.18057958e-10 1.69324887e-09 -2.57559683e-11] [-9.18057958e-10 -1.69324887e-09 -2.57559683e-11] [ 1.69324887e-09 -9.18057958e-10 -2.57559683e-11] [-1.69324887e-09 9.18057958e-10 -2.57559683e-11] [ 9.18057958e-10 -1.69324887e-09 -2.57559683e-11] [-9.18057958e-10 1.69324887e-09 -2.57559683e-11] [ 1.69324887e-09 9.18057958e-10 -2.57559683e-11] [-1.69324887e-09 -9.18057958e-10 -2.57559683e-11] [-9.18057958e-10 -1.69324887e-09 2.57559683e-11] [ 9.18057958e-10 1.69324887e-09 2.57559683e-11] [-1.69324887e-09 9.18057958e-10 2.57559683e-11] [ 1.69324887e-09 -9.18057958e-10 2.57559683e-11] [-1.04675782e-09 1.79192195e-09 3.68613088e-09] [ 1.04675782e-09 -1.79192195e-09 3.68613088e-09] [-1.79192195e-09 -1.04675782e-09 3.68613088e-09] [ 1.79192195e-09 1.04675782e-09 3.68613088e-09] [ 1.04675782e-09 1.79192195e-09 -3.68613088e-09] [-1.04675782e-09 -1.79192195e-09 -3.68613088e-09] [ 1.79192195e-09 -1.04675782e-09 -3.68613088e-09] [-1.79192195e-09 1.04675782e-09 -3.68613088e-09] [ 1.04675782e-09 -1.79192195e-09 -3.68613088e-09] [-1.04675782e-09 1.79192195e-09 -3.68613088e-09] [ 1.79192195e-09 1.04675782e-09 -3.68613088e-09] [-1.79192195e-09 -1.04675782e-09 -3.68613088e-09] [-1.04675782e-09 -1.79192195e-09 3.68613088e-09] [ 1.04675782e-09 1.79192195e-09 3.68613088e-09] [-1.79192195e-09 1.04675782e-09 3.68613088e-09] [ 1.79192195e-09 -1.04675782e-09 3.68613088e-09] [-2.41660773e-09 -4.43076737e-11 -3.07787842e-10] [ 2.41660773e-09 4.43076737e-11 -3.07787842e-10] [ 4.43076737e-11 -2.41660773e-09 -3.07787842e-10] [-4.43076737e-11 2.41660773e-09 -3.07787842e-10] [ 2.41660773e-09 -4.43076737e-11 3.07787842e-10] [-2.41660773e-09 4.43076737e-11 3.07787842e-10] [-4.43076737e-11 -2.41660773e-09 3.07787842e-10] [ 4.43076737e-11 2.41660773e-09 3.07787842e-10] [ 2.41660773e-09 4.43076737e-11 3.07787842e-10] [-2.41660773e-09 -4.43076737e-11 3.07787842e-10] [-4.43076737e-11 2.41660773e-09 3.07787842e-10] [ 4.43076737e-11 -2.41660773e-09 3.07787842e-10] [-2.41660773e-09 4.43076737e-11 -3.07787842e-10] [ 2.41660773e-09 -4.43076737e-11 -3.07787842e-10] [ 4.43076737e-11 2.41660773e-09 -3.07787842e-10] [-4.43076737e-11 -2.41660773e-09 -3.07787842e-10] [-1.50922141e-09 -1.39362834e-09 -3.26364053e-09] [ 1.50922141e-09 1.39362834e-09 -3.26364053e-09] [ 1.39362834e-09 -1.50922141e-09 -3.26364053e-09] [-1.39362834e-09 1.50922141e-09 -3.26364053e-09] [ 1.50922141e-09 -1.39362834e-09 3.26364053e-09] [-1.50922141e-09 1.39362834e-09 3.26364053e-09] [-1.39362834e-09 -1.50922141e-09 3.26364053e-09] [ 1.39362834e-09 1.50922141e-09 3.26364053e-09] [ 1.50922141e-09 1.39362834e-09 3.26364053e-09] [-1.50922141e-09 -1.39362834e-09 3.26364053e-09] [-1.39362834e-09 1.50922141e-09 3.26364053e-09] [ 1.39362834e-09 -1.50922141e-09 3.26364053e-09] [-1.50922141e-09 1.39362834e-09 -3.26364053e-09] [ 1.50922141e-09 -1.39362834e-09 -3.26364053e-09] [ 1.39362834e-09 1.50922141e-09 -3.26364053e-09] [-1.39362834e-09 -1.50922141e-09 -3.26364053e-09]] stress = [-1.35357689e-11 -1.35357689e-11 3.81231674e-11 -3.48745320e-27 -3.98160061e-34 2.21023233e-50] energy per atom = -2.1107779515130014 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0