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: SW_ZhangXieHu_2014OptimizedSW2_Si__MO_475612090600_005 ==== 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 16:36:08 -345.449329 1.324745 BFGS: 1 16:36:08 -345.836194 1.327733 BFGS: 2 16:36:08 -346.378088 1.313079 BFGS: 3 16:36:08 -346.673191 1.288782 BFGS: 4 16:36:08 -346.892576 1.262103 BFGS: 5 16:36:08 -347.088252 1.235692 BFGS: 6 16:36:08 -347.274608 1.210406 BFGS: 7 16:36:08 -347.455602 1.186454 BFGS: 8 16:36:08 -347.632301 1.163804 BFGS: 9 16:36:09 -347.804940 1.142339 BFGS: 10 16:36:09 -347.973503 1.121919 BFGS: 11 16:36:09 -348.137914 1.102409 BFGS: 12 16:36:09 -348.298110 1.083969 BFGS: 13 16:36:09 -348.454071 1.070104 BFGS: 14 16:36:09 -348.605831 1.056298 BFGS: 15 16:36:09 -348.753481 1.042529 BFGS: 16 16:36:09 -348.897161 1.028776 BFGS: 17 16:36:09 -349.037053 1.015025 BFGS: 18 16:36:09 -349.173371 1.001260 BFGS: 19 16:36:09 -349.306345 0.987470 BFGS: 20 16:36:09 -349.436213 0.973648 BFGS: 21 16:36:09 -349.563214 0.959786 BFGS: 22 16:36:09 -349.687582 0.945879 BFGS: 23 16:36:09 -349.809537 0.931923 BFGS: 24 16:36:09 -349.929285 0.917916 BFGS: 25 16:36:09 -350.047016 0.903856 BFGS: 26 16:36:09 -350.162902 0.889740 BFGS: 27 16:36:09 -350.277097 0.875568 BFGS: 28 16:36:10 -350.389738 0.861340 BFGS: 29 16:36:10 -350.500947 0.847054 BFGS: 30 16:36:10 -350.610828 0.832712 BFGS: 31 16:36:10 -350.719472 0.818311 BFGS: 32 16:36:10 -350.826955 0.803853 BFGS: 33 16:36:10 -350.933344 0.789338 BFGS: 34 16:36:10 -351.038692 0.774765 BFGS: 35 16:36:10 -351.143043 0.760134 BFGS: 36 16:36:11 -351.246433 0.745447 BFGS: 37 16:36:11 -351.348887 0.730702 BFGS: 38 16:36:11 -351.450425 0.715901 BFGS: 39 16:36:11 -351.551059 0.701043 BFGS: 40 16:36:11 -351.650797 0.686129 BFGS: 41 16:36:11 -351.749638 0.671159 BFGS: 42 16:36:12 -351.847580 0.656134 BFGS: 43 16:36:12 -351.944613 0.641053 BFGS: 44 16:36:12 -352.040724 0.625917 BFGS: 45 16:36:12 -352.135898 0.610726 BFGS: 46 16:36:12 -352.230115 0.595482 BFGS: 47 16:36:13 -352.323352 0.580184 BFGS: 48 16:36:13 -352.415583 0.564833 BFGS: 49 16:36:13 -352.506780 0.550524 BFGS: 50 16:36:13 -352.596912 0.537312 BFGS: 51 16:36:13 -352.685946 0.524119 BFGS: 52 16:36:13 -352.773847 0.510945 BFGS: 53 16:36:14 -352.860578 0.497790 BFGS: 54 16:36:14 -352.946100 0.484653 BFGS: 55 16:36:14 -353.030373 0.471535 BFGS: 56 16:36:14 -353.113355 0.458435 BFGS: 57 16:36:14 -353.195002 0.445353 BFGS: 58 16:36:14 -353.275269 0.432291 BFGS: 59 16:36:14 -353.354111 0.419247 BFGS: 60 16:36:15 -353.431480 0.406222 BFGS: 61 16:36:15 -353.507326 0.393218 BFGS: 62 16:36:15 -353.581601 0.380235 BFGS: 63 16:36:15 -353.654253 0.367273 BFGS: 64 16:36:15 -353.725229 0.354334 BFGS: 65 16:36:15 -353.794478 0.341420 BFGS: 66 16:36:16 -353.861943 0.328531 BFGS: 67 16:36:16 -353.927570 0.315669 BFGS: 68 16:36:16 -353.991302 0.302836 BFGS: 69 16:36:16 -354.053080 0.290034 BFGS: 70 16:36:16 -354.112847 0.277266 BFGS: 71 16:36:16 -354.170540 0.264534 BFGS: 72 16:36:16 -354.226098 0.251841 BFGS: 73 16:36:16 -354.279457 0.239191 BFGS: 74 16:36:17 -354.330552 0.226587 BFGS: 75 16:36:17 -354.379316 0.214035 BFGS: 76 16:36:17 -354.425680 0.201538 BFGS: 77 16:36:17 -354.469571 0.189104 BFGS: 78 16:36:17 -354.510915 0.177000 BFGS: 79 16:36:17 -354.549635 0.167038 BFGS: 80 16:36:17 -354.585649 0.156655 BFGS: 81 16:36:17 -354.618872 0.146002 BFGS: 82 16:36:17 -354.649213 0.135012 BFGS: 83 16:36:17 -354.676576 0.123510 BFGS: 84 16:36:18 -354.700854 0.111443 BFGS: 85 16:36:18 -354.721935 0.098740 BFGS: 86 16:36:18 -354.739692 0.085297 BFGS: 87 16:36:18 -354.753989 0.070991 BFGS: 88 16:36:18 -354.764684 0.071750 BFGS: 89 16:36:18 -354.771692 0.085344 BFGS: 90 16:36:18 -354.774809 0.087875 BFGS: 91 16:36:19 -354.779947 0.082426 BFGS: 92 16:36:19 -354.785703 0.069828 BFGS: 93 16:36:19 -354.788644 0.083555 BFGS: 94 16:36:19 -354.789587 0.090322 BFGS: 95 16:36:19 -354.789937 0.091282 BFGS: 96 16:36:19 -354.790768 0.091185 BFGS: 97 16:36:19 -354.792372 0.088649 BFGS: 98 16:36:19 -354.795399 0.080899 BFGS: 99 16:36:20 -354.798188 0.072438 BFGS: 100 16:36:20 -354.800712 0.064355 BFGS: 101 16:36:20 -354.802942 0.056668 BFGS: 102 16:36:20 -354.804910 0.052180 BFGS: 103 16:36:20 -354.806829 0.044778 BFGS: 104 16:36:20 -354.808977 0.042660 BFGS: 105 16:36:20 -354.811520 0.042925 BFGS: 106 16:36:20 -354.814488 0.043557 BFGS: 107 16:36:21 -354.817822 0.044295 BFGS: 108 16:36:21 -354.821402 0.044781 BFGS: 109 16:36:21 -354.825059 0.046620 BFGS: 110 16:36:21 -354.828585 0.052554 BFGS: 111 16:36:21 -354.831737 0.055560 BFGS: 112 16:36:21 -354.834243 0.053148 BFGS: 113 16:36:22 -354.835500 0.044335 BFGS: 114 16:36:22 -354.836690 0.031267 BFGS: 115 16:36:22 -354.837569 0.024383 BFGS: 116 16:36:22 -354.838070 0.022495 BFGS: 117 16:36:22 -354.838506 0.021213 BFGS: 118 16:36:22 -354.838973 0.020171 BFGS: 119 16:36:23 -354.839410 0.016568 BFGS: 120 16:36:23 -354.839726 0.012776 BFGS: 121 16:36:23 -354.839926 0.008982 BFGS: 122 16:36:23 -354.840052 0.006308 BFGS: 123 16:36:23 -354.840133 0.005340 BFGS: 124 16:36:23 -354.840187 0.004385 BFGS: 125 16:36:24 -354.840222 0.004225 BFGS: 126 16:36:24 -354.840241 0.002838 BFGS: 127 16:36:24 -354.840250 0.002172 BFGS: 128 16:36:24 -354.840255 0.001836 BFGS: 129 16:36:24 -354.840259 0.001414 BFGS: 130 16:36:24 -354.840263 0.001551 BFGS: 131 16:36:24 -354.840265 0.001324 BFGS: 132 16:36:25 -354.840267 0.000890 BFGS: 133 16:36:25 -354.840269 0.000889 BFGS: 134 16:36:25 -354.840270 0.000656 BFGS: 135 16:36:25 -354.840270 0.000650 BFGS: 136 16:36:25 -354.840271 0.000559 BFGS: 137 16:36:26 -354.840271 0.000318 BFGS: 138 16:36:26 -354.840271 0.000213 BFGS: 139 16:36:26 -354.840271 0.000150 BFGS: 140 16:36:26 -354.840271 0.000100 BFGS: 141 16:36:26 -354.840271 0.000075 BFGS: 142 16:36:26 -354.840271 0.000073 BFGS: 143 16:36:26 -354.840271 0.000066 BFGS: 144 16:36:26 -354.840271 0.000058 BFGS: 145 16:36:26 -354.840271 0.000048 BFGS: 146 16:36:27 -354.840271 0.000038 BFGS: 147 16:36:27 -354.840271 0.000022 BFGS: 148 16:36:27 -354.840271 0.000013 BFGS: 149 16:36:27 -354.840271 0.000008 BFGS: 150 16:36:27 -354.840271 0.000004 BFGS: 151 16:36:27 -354.840271 0.000003 BFGS: 152 16:36:27 -354.840271 0.000001 BFGS: 153 16:36:27 -354.840271 0.000001 BFGS: 154 16:36:28 -354.840271 0.000000 BFGS: 155 16:36:28 -354.840271 0.000000 BFGS: 156 16:36:28 -354.840271 0.000000 BFGS: 157 16:36:28 -354.840271 0.000000 BFGS: 158 16:36:28 -354.840271 0.000000 BFGS: 159 16:36:28 -354.840271 0.000000 BFGS: 160 16:36:28 -354.840271 0.000000 BFGS: 161 16:36:29 -354.840271 0.000000 BFGS: 162 16:36:29 -354.840271 0.000000 BFGS: 163 16:36:29 -354.840271 0.000000 BFGS: 164 16:36:29 -354.840271 0.000000 Minimization converged after 164 steps. Maximum force component: 9.344168011917662e-09 eV/Angstrom Maximum stress component: 2.1304121174863772e-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 = [[0.00000000e+00 7.59651469e-34 0.00000000e+00] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [5.80654688e-34 1.89566839e-01 9.46446261e-01] [0.00000000e+00 8.10433161e-01 9.46446261e-01] [3.10433161e-01 5.00000000e-01 4.46446261e-01] [6.89566839e-01 5.00000000e-01 4.46446261e-01] [5.00000000e-01 6.89566839e-01 5.53553739e-01] [5.00000000e-01 3.10433161e-01 5.53553739e-01] [1.89566839e-01 4.24211404e-33 5.35537392e-02] [8.10433161e-01 4.55634471e-33 5.35537392e-02] [0.00000000e+00 1.28328142e-01 8.51606096e-01] [1.00697705e-32 8.71671858e-01 8.51606096e-01] [3.71671858e-01 5.00000000e-01 3.51606096e-01] [6.28328142e-01 5.00000000e-01 3.51606096e-01] [5.00000000e-01 6.28328142e-01 6.48393904e-01] [5.00000000e-01 3.71671858e-01 6.48393904e-01] [1.28328142e-01 0.00000000e+00 1.48393904e-01] [8.71671858e-01 9.58403542e-33 1.48393904e-01] [4.40157424e-33 3.79943533e-01 5.21426244e-01] [9.30387014e-33 6.20056467e-01 5.21426244e-01] [1.20056467e-01 5.00000000e-01 2.14262441e-02] [8.79943533e-01 5.00000000e-01 2.14262441e-02] [5.00000000e-01 8.79943533e-01 9.78573756e-01] [5.00000000e-01 1.20056467e-01 9.78573756e-01] [3.79943533e-01 0.00000000e+00 4.78573756e-01] [6.20056467e-01 4.71346004e-33 4.78573756e-01] [8.44386793e-35 2.33419264e-01 5.99453945e-01] [2.67484676e-33 7.66580736e-01 5.99453945e-01] [2.66580736e-01 5.00000000e-01 9.94539453e-02] [7.33419264e-01 5.00000000e-01 9.94539453e-02] [5.00000000e-01 7.33419264e-01 9.00546055e-01] [5.00000000e-01 2.66580736e-01 9.00546055e-01] [2.33419264e-01 0.00000000e+00 4.00546055e-01] [7.66580736e-01 0.00000000e+00 4.00546055e-01] [4.06187848e-34 3.76334503e-01 6.73968574e-01] [3.29232293e-33 6.23665497e-01 6.73968574e-01] [1.23665497e-01 5.00000000e-01 1.73968574e-01] [8.76334503e-01 5.00000000e-01 1.73968574e-01] [5.00000000e-01 8.76334503e-01 8.26031426e-01] [5.00000000e-01 1.23665497e-01 8.26031426e-01] [3.76334503e-01 0.00000000e+00 3.26031426e-01] [6.23665497e-01 6.12749806e-33 3.26031426e-01] [1.85244655e-01 3.16402534e-01 4.71098692e-01] [8.14755345e-01 6.83597466e-01 4.71098692e-01] [1.83597466e-01 6.85244655e-01 9.71098692e-01] [8.16402534e-01 3.14755345e-01 9.71098692e-01] [3.14755345e-01 8.16402534e-01 2.89013083e-02] [6.85244655e-01 1.83597466e-01 2.89013083e-02] [3.16402534e-01 1.85244655e-01 5.28901308e-01] [6.83597466e-01 8.14755345e-01 5.28901308e-01] [3.14755345e-01 1.83597466e-01 2.89013083e-02] [6.85244655e-01 8.16402534e-01 2.89013083e-02] [3.16402534e-01 8.14755345e-01 5.28901308e-01] [6.83597466e-01 1.85244655e-01 5.28901308e-01] [1.85244655e-01 6.83597466e-01 4.71098692e-01] [8.14755345e-01 3.16402534e-01 4.71098692e-01] [1.83597466e-01 3.14755345e-01 9.71098692e-01] [8.16402534e-01 6.85244655e-01 9.71098692e-01] [2.04023380e-01 1.20698199e-01 6.09549288e-01] [7.95976620e-01 8.79301801e-01 6.09549288e-01] [3.79301801e-01 7.04023380e-01 1.09549288e-01] [6.20698199e-01 2.95976620e-01 1.09549288e-01] [2.95976620e-01 6.20698199e-01 8.90450712e-01] [7.04023380e-01 3.79301801e-01 8.90450712e-01] [1.20698199e-01 2.04023380e-01 3.90450712e-01] [8.79301801e-01 7.95976620e-01 3.90450712e-01] [2.95976620e-01 3.79301801e-01 8.90450712e-01] [7.04023380e-01 6.20698199e-01 8.90450712e-01] [1.20698199e-01 7.95976620e-01 3.90450712e-01] [8.79301801e-01 2.04023380e-01 3.90450712e-01] [2.04023380e-01 8.79301801e-01 6.09549288e-01] [7.95976620e-01 1.20698199e-01 6.09549288e-01] [3.79301801e-01 2.95976620e-01 1.09549288e-01] [6.20698199e-01 7.04023380e-01 1.09549288e-01] [3.21560522e-01 2.38233076e-01 6.81070965e-01] [6.78439478e-01 7.61766924e-01 6.81070965e-01] [2.61766924e-01 8.21560522e-01 1.81070965e-01] [7.38233076e-01 1.78439478e-01 1.81070965e-01] [1.78439478e-01 7.38233076e-01 8.18929035e-01] [8.21560522e-01 2.61766924e-01 8.18929035e-01] [2.38233076e-01 3.21560522e-01 3.18929035e-01] [7.61766924e-01 6.78439478e-01 3.18929035e-01] [1.78439478e-01 2.61766924e-01 8.18929035e-01] [8.21560522e-01 7.38233076e-01 8.18929035e-01] [2.38233076e-01 6.78439478e-01 3.18929035e-01] [7.61766924e-01 3.21560522e-01 3.18929035e-01] [3.21560522e-01 7.61766924e-01 6.81070965e-01] [6.78439478e-01 2.38233076e-01 6.81070965e-01] [2.61766924e-01 1.78439478e-01 1.81070965e-01] [7.38233076e-01 8.21560522e-01 1.81070965e-01] [1.80725433e-01 3.83965536e-01 7.30926064e-01] [8.19274567e-01 6.16034464e-01 7.30926064e-01] [1.16034464e-01 6.80725433e-01 2.30926064e-01] [8.83965536e-01 3.19274567e-01 2.30926064e-01] [3.19274567e-01 8.83965536e-01 7.69073936e-01] [6.80725433e-01 1.16034464e-01 7.69073936e-01] [3.83965536e-01 1.80725433e-01 2.69073936e-01] [6.16034464e-01 8.19274567e-01 2.69073936e-01] [3.19274567e-01 1.16034464e-01 7.69073936e-01] [6.80725433e-01 8.83965536e-01 7.69073936e-01] [3.83965536e-01 8.19274567e-01 2.69073936e-01] [6.16034464e-01 1.80725433e-01 2.69073936e-01] [1.80725433e-01 6.16034464e-01 7.30926064e-01] [8.19274567e-01 3.83965536e-01 7.30926064e-01] [1.16034464e-01 3.19274567e-01 2.30926064e-01] [8.83965536e-01 6.80725433e-01 2.30926064e-01]] cellpar = Cell([[9.80645178507225, -1.9958101191275377e-37, -8.333241530778553e-39], [4.258827775916154e-37, 9.806451785072252, -1.5716481746473085e-17], [7.252318039072875e-38, -3.76010113696207e-17, 23.055739495722015]]) forces = [[-3.61848223e-68 -9.66990804e-31 1.84719555e-30] [ 2.41747701e-31 9.66990804e-31 -1.13673572e-30] [-4.83495402e-31 -3.78177145e-09 4.37557198e-09] [-2.41747701e-31 3.78177145e-09 4.37557198e-09] [ 3.78177145e-09 -7.13600758e-27 4.37557198e-09] [-3.78177145e-09 -7.13600758e-27 4.37557198e-09] [-9.66990804e-31 -3.78177145e-09 -4.37557198e-09] [ 4.83495402e-31 3.78177145e-09 -4.37557198e-09] [-3.78177145e-09 7.13624933e-27 -4.37557198e-09] [ 3.78177145e-09 7.13721632e-27 -4.37557198e-09] [ 4.07651506e-46 9.34416801e-09 5.86596542e-10] [-4.03961158e-46 -9.34416801e-09 5.86596542e-10] [-9.34416801e-09 -9.57632174e-28 5.86596542e-10] [ 9.34416801e-09 -9.57632174e-28 5.86596542e-10] [-1.20873851e-31 9.34416801e-09 -5.86596542e-10] [ 1.20873851e-31 -9.34416801e-09 -5.86596542e-10] [ 9.34416801e-09 9.56906931e-28 -5.86596542e-10] [-9.34416801e-09 9.56544310e-28 -5.86596542e-10] [-1.05036509e-46 -2.49760132e-09 1.09087361e-09] [ 1.11899323e-46 2.49760132e-09 1.09087361e-09] [ 2.49760132e-09 -1.77907766e-27 1.09087361e-09] [-2.49760132e-09 -1.77907766e-27 1.09087361e-09] [ 2.41747701e-31 -2.49760132e-09 -1.09087361e-09] [ 4.83495402e-31 2.49760132e-09 -1.09087361e-09] [-2.49760132e-09 1.77956115e-27 -1.09087361e-09] [ 2.49760132e-09 1.77811067e-27 -1.09087361e-09] [ 4.83495402e-31 1.67063203e-09 9.81641529e-10] [-4.83495402e-31 -1.67063203e-09 9.81641529e-10] [-1.67063203e-09 -1.59996688e-27 9.81641529e-10] [ 1.67063203e-09 -1.60190086e-27 9.81641529e-10] [ 9.66990804e-31 1.67063203e-09 -9.81641529e-10] [-9.66990804e-31 -1.67063203e-09 -9.81641529e-10] [ 1.67063203e-09 1.60020863e-27 -9.81641529e-10] [-1.67063203e-09 1.59972513e-27 -9.81641529e-10] [-9.66990804e-31 2.60449529e-09 -2.90778713e-09] [ 2.90097241e-30 -2.60449529e-09 -2.90778713e-09] [-2.60449529e-09 4.74223509e-27 -2.90778713e-09] [ 2.60449529e-09 4.74416908e-27 -2.90778713e-09] [ 9.66990804e-31 2.60449529e-09 2.90778713e-09] [-2.90097241e-30 -2.60449529e-09 2.90778713e-09] [ 2.60449529e-09 -4.74030111e-27 2.90778713e-09] [-2.60449529e-09 -4.74030111e-27 2.90778713e-09] [-5.95118877e-10 3.76102810e-09 -4.61678107e-10] [ 5.95118877e-10 -3.76102810e-09 -4.61678107e-10] [-3.76102810e-09 -5.95118877e-10 -4.61678107e-10] [ 3.76102810e-09 5.95118877e-10 -4.61678107e-10] [ 5.95118877e-10 3.76102810e-09 4.61678107e-10] [-5.95118877e-10 -3.76102810e-09 4.61678107e-10] [ 3.76102810e-09 -5.95118877e-10 4.61678107e-10] [-3.76102810e-09 5.95118877e-10 4.61678107e-10] [ 5.95118877e-10 -3.76102810e-09 4.61678107e-10] [-5.95118877e-10 3.76102810e-09 4.61678107e-10] [ 3.76102810e-09 5.95118877e-10 4.61678107e-10] [-3.76102810e-09 -5.95118877e-10 4.61678107e-10] [-5.95118877e-10 -3.76102810e-09 -4.61678107e-10] [ 5.95118877e-10 3.76102810e-09 -4.61678107e-10] [-3.76102810e-09 5.95118877e-10 -4.61678107e-10] [ 3.76102810e-09 -5.95118877e-10 -4.61678107e-10] [ 2.42395024e-11 1.76875584e-09 1.73573866e-09] [-2.42395024e-11 -1.76875584e-09 1.73573866e-09] [-1.76875584e-09 2.42395024e-11 1.73573866e-09] [ 1.76875584e-09 -2.42395024e-11 1.73573866e-09] [-2.42395024e-11 1.76875584e-09 -1.73573866e-09] [ 2.42395024e-11 -1.76875584e-09 -1.73573866e-09] [ 1.76875584e-09 2.42395024e-11 -1.73573866e-09] [-1.76875584e-09 -2.42395024e-11 -1.73573866e-09] [-2.42395024e-11 -1.76875584e-09 -1.73573866e-09] [ 2.42395024e-11 1.76875584e-09 -1.73573866e-09] [ 1.76875584e-09 -2.42395024e-11 -1.73573866e-09] [-1.76875584e-09 2.42395024e-11 -1.73573866e-09] [ 2.42395024e-11 -1.76875584e-09 1.73573866e-09] [-2.42395024e-11 1.76875584e-09 1.73573866e-09] [-1.76875584e-09 -2.42395024e-11 1.73573866e-09] [ 1.76875584e-09 2.42395024e-11 1.73573866e-09] [-2.63529283e-09 -4.55223166e-10 3.11964618e-09] [ 2.63529283e-09 4.55223166e-10 3.11964618e-09] [ 4.55223166e-10 -2.63529283e-09 3.11964618e-09] [-4.55223166e-10 2.63529283e-09 3.11964618e-09] [ 2.63529283e-09 -4.55223166e-10 -3.11964618e-09] [-2.63529283e-09 4.55223166e-10 -3.11964618e-09] [-4.55223166e-10 -2.63529283e-09 -3.11964618e-09] [ 4.55223166e-10 2.63529283e-09 -3.11964618e-09] [ 2.63529283e-09 4.55223166e-10 -3.11964618e-09] [-2.63529283e-09 -4.55223166e-10 -3.11964618e-09] [-4.55223166e-10 2.63529283e-09 -3.11964618e-09] [ 4.55223166e-10 -2.63529283e-09 -3.11964618e-09] [-2.63529283e-09 4.55223166e-10 3.11964618e-09] [ 2.63529283e-09 -4.55223166e-10 3.11964618e-09] [ 4.55223166e-10 2.63529283e-09 3.11964618e-09] [-4.55223166e-10 -2.63529283e-09 3.11964618e-09] [ 1.25349700e-09 6.11171489e-09 1.69256452e-09] [-1.25349700e-09 -6.11171489e-09 1.69256452e-09] [-6.11171489e-09 1.25349700e-09 1.69256452e-09] [ 6.11171489e-09 -1.25349700e-09 1.69256452e-09] [-1.25349700e-09 6.11171489e-09 -1.69256452e-09] [ 1.25349700e-09 -6.11171489e-09 -1.69256452e-09] [ 6.11171489e-09 1.25349700e-09 -1.69256452e-09] [-6.11171489e-09 -1.25349700e-09 -1.69256452e-09] [-1.25349700e-09 -6.11171489e-09 -1.69256452e-09] [ 1.25349700e-09 6.11171489e-09 -1.69256452e-09] [ 6.11171489e-09 -1.25349700e-09 -1.69256452e-09] [-6.11171489e-09 1.25349700e-09 -1.69256452e-09] [ 1.25349700e-09 -6.11171489e-09 1.69256452e-09] [-1.25349700e-09 6.11171489e-09 1.69256452e-09] [-6.11171489e-09 -1.25349700e-09 1.69256452e-09] [ 6.11171489e-09 1.25349700e-09 1.69256452e-09]] stress = [-2.13041212e-11 -2.13041212e-11 -8.66673404e-12 4.23043064e-27 -2.18066773e-34 8.11305367e-50] energy per atom = -3.3475497299940202 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0