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_2014OptimizedSW1_Si__MO_800412945727_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 16:36:25 -333.973819 1.521721 BFGS: 1 16:36:25 -334.224241 1.515708 BFGS: 2 16:36:25 -334.660863 1.501033 BFGS: 3 16:36:25 -334.989650 1.485746 BFGS: 4 16:36:26 -335.257819 1.470300 BFGS: 5 16:36:26 -335.492342 1.454924 BFGS: 6 16:36:26 -335.708032 1.439716 BFGS: 7 16:36:26 -335.912861 1.424705 BFGS: 8 16:36:27 -336.111098 1.409893 BFGS: 9 16:36:27 -336.305028 1.395266 BFGS: 10 16:36:27 -336.495864 1.380806 BFGS: 11 16:36:27 -336.684237 1.366493 BFGS: 12 16:36:27 -336.870456 1.352307 BFGS: 13 16:36:27 -337.054653 1.338232 BFGS: 14 16:36:27 -337.236868 1.324249 BFGS: 15 16:36:27 -337.417092 1.310345 BFGS: 16 16:36:27 -337.595298 1.296506 BFGS: 17 16:36:27 -337.771451 1.282718 BFGS: 18 16:36:27 -337.945526 1.268971 BFGS: 19 16:36:27 -338.117504 1.255255 BFGS: 20 16:36:27 -338.287376 1.241561 BFGS: 21 16:36:28 -338.455147 1.227881 BFGS: 22 16:36:28 -338.620829 1.214207 BFGS: 23 16:36:28 -338.784444 1.200533 BFGS: 24 16:36:28 -338.946022 1.186854 BFGS: 25 16:36:28 -339.105598 1.173164 BFGS: 26 16:36:28 -339.263211 1.159459 BFGS: 27 16:36:28 -339.418903 1.145735 BFGS: 28 16:36:28 -339.572717 1.131987 BFGS: 29 16:36:29 -339.724697 1.118213 BFGS: 30 16:36:29 -339.874887 1.104410 BFGS: 31 16:36:29 -340.023330 1.090575 BFGS: 32 16:36:29 -340.170065 1.076705 BFGS: 33 16:36:29 -340.315133 1.062799 BFGS: 34 16:36:30 -340.458569 1.048854 BFGS: 35 16:36:30 -340.600408 1.034868 BFGS: 36 16:36:30 -340.740682 1.020840 BFGS: 37 16:36:30 -340.879419 1.006769 BFGS: 38 16:36:31 -341.016644 0.992652 BFGS: 39 16:36:31 -341.152381 0.978488 BFGS: 40 16:36:31 -341.286651 0.964277 BFGS: 41 16:36:32 -341.419471 0.950017 BFGS: 42 16:36:32 -341.550857 0.935706 BFGS: 43 16:36:32 -341.680820 0.921345 BFGS: 44 16:36:33 -341.809372 0.906931 BFGS: 45 16:36:33 -341.936520 0.892465 BFGS: 46 16:36:33 -342.062270 0.877944 BFGS: 47 16:36:33 -342.186627 0.863369 BFGS: 48 16:36:33 -342.309591 0.848738 BFGS: 49 16:36:34 -342.431163 0.834052 BFGS: 50 16:36:34 -342.551342 0.819308 BFGS: 51 16:36:34 -342.670123 0.804507 BFGS: 52 16:36:34 -342.787501 0.789648 BFGS: 53 16:36:34 -342.903471 0.774731 BFGS: 54 16:36:34 -343.018024 0.759754 BFGS: 55 16:36:34 -343.131152 0.744718 BFGS: 56 16:36:34 -343.242844 0.729622 BFGS: 57 16:36:34 -343.353088 0.714466 BFGS: 58 16:36:34 -343.461872 0.699249 BFGS: 59 16:36:34 -343.569182 0.683971 BFGS: 60 16:36:34 -343.675004 0.668631 BFGS: 61 16:36:34 -343.779322 0.653230 BFGS: 62 16:36:34 -343.882120 0.637767 BFGS: 63 16:36:34 -343.983380 0.622241 BFGS: 64 16:36:35 -344.083085 0.606654 BFGS: 65 16:36:35 -344.181217 0.591004 BFGS: 66 16:36:35 -344.277754 0.575292 BFGS: 67 16:36:35 -344.372679 0.559517 BFGS: 68 16:36:35 -344.465969 0.543680 BFGS: 69 16:36:35 -344.557604 0.527780 BFGS: 70 16:36:35 -344.647562 0.511818 BFGS: 71 16:36:35 -344.735820 0.495793 BFGS: 72 16:36:35 -344.822355 0.479706 BFGS: 73 16:36:35 -344.907144 0.463558 BFGS: 74 16:36:35 -344.990163 0.447347 BFGS: 75 16:36:36 -345.071387 0.431075 BFGS: 76 16:36:36 -345.150791 0.414743 BFGS: 77 16:36:36 -345.228349 0.398349 BFGS: 78 16:36:36 -345.304035 0.381896 BFGS: 79 16:36:36 -345.377823 0.365383 BFGS: 80 16:36:36 -345.449685 0.348811 BFGS: 81 16:36:36 -345.519593 0.332181 BFGS: 82 16:36:36 -345.587519 0.315493 BFGS: 83 16:36:36 -345.653435 0.298749 BFGS: 84 16:36:37 -345.717309 0.281950 BFGS: 85 16:36:37 -345.779112 0.265096 BFGS: 86 16:36:37 -345.838814 0.248188 BFGS: 87 16:36:37 -345.896381 0.231230 BFGS: 88 16:36:37 -345.951781 0.219290 BFGS: 89 16:36:37 -346.004981 0.213528 BFGS: 90 16:36:37 -346.055947 0.207535 BFGS: 91 16:36:37 -346.104642 0.201300 BFGS: 92 16:36:37 -346.151030 0.194810 BFGS: 93 16:36:37 -346.195073 0.188051 BFGS: 94 16:36:37 -346.236731 0.181005 BFGS: 95 16:36:37 -346.275965 0.173653 BFGS: 96 16:36:37 -346.312732 0.165967 BFGS: 97 16:36:38 -346.346987 0.157916 BFGS: 98 16:36:38 -346.378687 0.149459 BFGS: 99 16:36:38 -346.407784 0.140544 BFGS: 100 16:36:38 -346.434232 0.131099 BFGS: 101 16:36:38 -346.457989 0.121024 BFGS: 102 16:36:38 -346.479015 0.110172 BFGS: 103 16:36:38 -346.497295 0.098304 BFGS: 104 16:36:38 -346.512866 0.084989 BFGS: 105 16:36:38 -346.525899 0.078175 BFGS: 106 16:36:38 -346.537127 0.093001 BFGS: 107 16:36:38 -346.545537 0.092420 BFGS: 108 16:36:38 -346.564941 0.071006 BFGS: 109 16:36:38 -346.573192 0.052063 BFGS: 110 16:36:38 -346.578530 0.033944 BFGS: 111 16:36:39 -346.581198 0.035061 BFGS: 112 16:36:39 -346.581574 0.038938 BFGS: 113 16:36:39 -346.581836 0.039807 BFGS: 114 16:36:39 -346.582638 0.039560 BFGS: 115 16:36:39 -346.583526 0.036319 BFGS: 116 16:36:39 -346.584301 0.030676 BFGS: 117 16:36:39 -346.584632 0.027200 BFGS: 118 16:36:39 -346.584800 0.026106 BFGS: 119 16:36:39 -346.584985 0.026101 BFGS: 120 16:36:39 -346.585245 0.027192 BFGS: 121 16:36:39 -346.585527 0.029124 BFGS: 122 16:36:39 -346.585796 0.031021 BFGS: 123 16:36:39 -346.586055 0.032114 BFGS: 124 16:36:39 -346.586314 0.031976 BFGS: 125 16:36:40 -346.586535 0.030565 BFGS: 126 16:36:40 -346.586696 0.028678 BFGS: 127 16:36:40 -346.586836 0.026909 BFGS: 128 16:36:40 -346.587022 0.025051 BFGS: 129 16:36:40 -346.587318 0.022918 BFGS: 130 16:36:40 -346.587800 0.028810 BFGS: 131 16:36:40 -346.588552 0.039816 BFGS: 132 16:36:40 -346.589630 0.043007 BFGS: 133 16:36:40 -346.590745 0.034985 BFGS: 134 16:36:40 -346.591828 0.028263 BFGS: 135 16:36:40 -346.592730 0.028955 BFGS: 136 16:36:40 -346.593201 0.022671 BFGS: 137 16:36:40 -346.593497 0.014494 BFGS: 138 16:36:41 -346.593690 0.009329 BFGS: 139 16:36:41 -346.593792 0.008263 BFGS: 140 16:36:41 -346.593857 0.007409 BFGS: 141 16:36:41 -346.593910 0.006292 BFGS: 142 16:36:41 -346.593965 0.006092 BFGS: 143 16:36:41 -346.594021 0.006828 BFGS: 144 16:36:41 -346.594070 0.006599 BFGS: 145 16:36:41 -346.594108 0.004584 BFGS: 146 16:36:41 -346.594133 0.003567 BFGS: 147 16:36:41 -346.594148 0.003054 BFGS: 148 16:36:41 -346.594156 0.002127 BFGS: 149 16:36:41 -346.594161 0.001597 BFGS: 150 16:36:41 -346.594164 0.001033 BFGS: 151 16:36:42 -346.594165 0.001026 BFGS: 152 16:36:42 -346.594166 0.000847 BFGS: 153 16:36:42 -346.594167 0.000581 BFGS: 154 16:36:42 -346.594168 0.000501 BFGS: 155 16:36:42 -346.594168 0.000366 BFGS: 156 16:36:42 -346.594168 0.000414 BFGS: 157 16:36:42 -346.594168 0.000364 BFGS: 158 16:36:42 -346.594168 0.000241 BFGS: 159 16:36:42 -346.594168 0.000207 BFGS: 160 16:36:42 -346.594168 0.000181 BFGS: 161 16:36:42 -346.594168 0.000140 BFGS: 162 16:36:42 -346.594168 0.000074 BFGS: 163 16:36:42 -346.594169 0.000027 BFGS: 164 16:36:42 -346.594169 0.000014 BFGS: 165 16:36:43 -346.594169 0.000010 BFGS: 166 16:36:43 -346.594169 0.000007 BFGS: 167 16:36:43 -346.594169 0.000004 BFGS: 168 16:36:43 -346.594169 0.000003 BFGS: 169 16:36:43 -346.594169 0.000002 BFGS: 170 16:36:43 -346.594169 0.000001 BFGS: 171 16:36:43 -346.594169 0.000000 BFGS: 172 16:36:43 -346.594169 0.000000 BFGS: 173 16:36:43 -346.594169 0.000000 BFGS: 174 16:36:43 -346.594169 0.000000 BFGS: 175 16:36:43 -346.594169 0.000000 BFGS: 176 16:36:43 -346.594169 0.000000 BFGS: 177 16:36:43 -346.594169 0.000000 BFGS: 178 16:36:44 -346.594169 0.000000 BFGS: 179 16:36:44 -346.594169 0.000000 BFGS: 180 16:36:44 -346.594169 0.000000 BFGS: 181 16:36:44 -346.594169 0.000000 BFGS: 182 16:36:44 -346.594169 0.000000 BFGS: 183 16:36:44 -346.594169 0.000000 BFGS: 184 16:36:44 -346.594169 0.000000 BFGS: 185 16:36:44 -346.594169 0.000000 BFGS: 186 16:36:44 -346.594169 0.000000 Minimization converged after 186 steps. Maximum force component: 8.297082791413455e-09 eV/Angstrom Maximum stress component: 1.5733574930994473e-12 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 2.91203694e-33 0.00000000e+00] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [0.00000000e+00 1.89522241e-01 9.45618855e-01] [8.97468333e-33 8.10477759e-01 9.45618855e-01] [3.10477759e-01 5.00000000e-01 4.45618855e-01] [6.89522241e-01 5.00000000e-01 4.45618855e-01] [5.00000000e-01 6.89522241e-01 5.54381145e-01] [5.00000000e-01 3.10477759e-01 5.54381145e-01] [1.89522241e-01 0.00000000e+00 5.43811446e-02] [8.10477759e-01 1.54981142e-32 5.43811446e-02] [0.00000000e+00 1.24993277e-01 8.51336069e-01] [0.00000000e+00 8.75006723e-01 8.51336069e-01] [3.75006723e-01 5.00000000e-01 3.51336069e-01] [6.24993277e-01 5.00000000e-01 3.51336069e-01] [5.00000000e-01 6.24993277e-01 6.48663931e-01] [5.00000000e-01 3.75006723e-01 6.48663931e-01] [1.24993277e-01 0.00000000e+00 1.48663931e-01] [8.75006723e-01 0.00000000e+00 1.48663931e-01] [1.70820902e-32 3.80875572e-01 5.22286142e-01] [0.00000000e+00 6.19124428e-01 5.22286142e-01] [1.19124428e-01 5.00000000e-01 2.22861418e-02] [8.80875572e-01 5.00000000e-01 2.22861418e-02] [5.00000000e-01 8.80875572e-01 9.77713858e-01] [5.00000000e-01 1.19124428e-01 9.77713858e-01] [3.80875572e-01 2.09820624e-32 4.77713858e-01] [6.19124428e-01 0.00000000e+00 4.77713858e-01] [1.00713739e-32 2.35615953e-01 6.00298188e-01] [0.00000000e+00 7.64384047e-01 6.00298188e-01] [2.64384047e-01 5.00000000e-01 1.00298188e-01] [7.35615953e-01 5.00000000e-01 1.00298188e-01] [5.00000000e-01 7.35615953e-01 8.99701812e-01] [5.00000000e-01 2.64384047e-01 8.99701812e-01] [2.35615953e-01 0.00000000e+00 3.99701812e-01] [7.64384047e-01 0.00000000e+00 3.99701812e-01] [8.85304966e-33 3.80678134e-01 6.75538417e-01] [0.00000000e+00 6.19321866e-01 6.75538417e-01] [1.19321866e-01 5.00000000e-01 1.75538417e-01] [8.80678134e-01 5.00000000e-01 1.75538417e-01] [5.00000000e-01 8.80678134e-01 8.24461583e-01] [5.00000000e-01 1.19321866e-01 8.24461583e-01] [3.80678134e-01 8.58357097e-33 3.24461583e-01] [6.19321866e-01 2.54328029e-33 3.24461583e-01] [1.84497434e-01 3.15587749e-01 4.70803984e-01] [8.15502566e-01 6.84412251e-01 4.70803984e-01] [1.84412251e-01 6.84497434e-01 9.70803984e-01] [8.15587749e-01 3.15502566e-01 9.70803984e-01] [3.15502566e-01 8.15587749e-01 2.91960162e-02] [6.84497434e-01 1.84412251e-01 2.91960162e-02] [3.15587749e-01 1.84497434e-01 5.29196016e-01] [6.84412251e-01 8.15502566e-01 5.29196016e-01] [3.15502566e-01 1.84412251e-01 2.91960162e-02] [6.84497434e-01 8.15587749e-01 2.91960162e-02] [3.15587749e-01 8.15502566e-01 5.29196016e-01] [6.84412251e-01 1.84497434e-01 5.29196016e-01] [1.84497434e-01 6.84412251e-01 4.70803984e-01] [8.15502566e-01 3.15587749e-01 4.70803984e-01] [1.84412251e-01 3.15502566e-01 9.70803984e-01] [8.15587749e-01 6.84497434e-01 9.70803984e-01] [2.03229337e-01 1.20108903e-01 6.10189495e-01] [7.96770663e-01 8.79891097e-01 6.10189495e-01] [3.79891097e-01 7.03229337e-01 1.10189495e-01] [6.20108903e-01 2.96770663e-01 1.10189495e-01] [2.96770663e-01 6.20108903e-01 8.89810505e-01] [7.03229337e-01 3.79891097e-01 8.89810505e-01] [1.20108903e-01 2.03229337e-01 3.89810505e-01] [8.79891097e-01 7.96770663e-01 3.89810505e-01] [2.96770663e-01 3.79891097e-01 8.89810505e-01] [7.03229337e-01 6.20108903e-01 8.89810505e-01] [1.20108903e-01 7.96770663e-01 3.89810505e-01] [8.79891097e-01 2.03229337e-01 3.89810505e-01] [2.03229337e-01 8.79891097e-01 6.10189495e-01] [7.96770663e-01 1.20108903e-01 6.10189495e-01] [3.79891097e-01 2.96770663e-01 1.10189495e-01] [6.20108903e-01 7.03229337e-01 1.10189495e-01] [3.21745880e-01 2.38980039e-01 6.80468072e-01] [6.78254120e-01 7.61019961e-01 6.80468072e-01] [2.61019961e-01 8.21745880e-01 1.80468072e-01] [7.38980039e-01 1.78254120e-01 1.80468072e-01] [1.78254120e-01 7.38980039e-01 8.19531928e-01] [8.21745880e-01 2.61019961e-01 8.19531928e-01] [2.38980039e-01 3.21745880e-01 3.19531928e-01] [7.61019961e-01 6.78254120e-01 3.19531928e-01] [1.78254120e-01 2.61019961e-01 8.19531928e-01] [8.21745880e-01 7.38980039e-01 8.19531928e-01] [2.38980039e-01 6.78254120e-01 3.19531928e-01] [7.61019961e-01 3.21745880e-01 3.19531928e-01] [3.21745880e-01 7.61019961e-01 6.80468072e-01] [6.78254120e-01 2.38980039e-01 6.80468072e-01] [2.61019961e-01 1.78254120e-01 1.80468072e-01] [7.38980039e-01 8.21745880e-01 1.80468072e-01] [1.83150336e-01 3.83110317e-01 7.32928927e-01] [8.16849664e-01 6.16889683e-01 7.32928927e-01] [1.16889683e-01 6.83150336e-01 2.32928927e-01] [8.83110317e-01 3.16849664e-01 2.32928927e-01] [3.16849664e-01 8.83110317e-01 7.67071073e-01] [6.83150336e-01 1.16889683e-01 7.67071073e-01] [3.83110317e-01 1.83150336e-01 2.67071073e-01] [6.16889683e-01 8.16849664e-01 2.67071073e-01] [3.16849664e-01 1.16889683e-01 7.67071073e-01] [6.83150336e-01 8.83110317e-01 7.67071073e-01] [3.83110317e-01 8.16849664e-01 2.67071073e-01] [6.16889683e-01 1.83150336e-01 2.67071073e-01] [1.83150336e-01 6.16889683e-01 7.32928927e-01] [8.16849664e-01 3.83110317e-01 7.32928927e-01] [1.16889683e-01 3.16849664e-01 2.32928927e-01] [8.83110317e-01 6.83150336e-01 2.32928927e-01]] cellpar = Cell([[9.692955754284236, 1.6722087576410386e-37, -3.269530008013037e-38], [-8.196732357386843e-38, 9.692955754284231, 1.4481040283653582e-17], [2.7806213421231833e-38, 3.471276421049769e-17, 23.02085885941436]]) forces = [[-2.74190434e-69 -3.42294282e-48 -2.27003194e-30] [ 2.74190434e-69 3.42294282e-48 2.27003194e-30] [ 3.58424712e-31 -8.29708279e-09 1.54789085e-09] [ 4.77899616e-31 8.29708279e-09 1.54789085e-09] [ 8.29708279e-09 2.33379951e-27 1.54789085e-09] [-8.29708279e-09 2.33403846e-27 1.54789085e-09] [ 6.82936390e-47 -8.29708279e-09 -1.54789085e-09] [-4.77899616e-31 8.29708279e-09 -1.54789085e-09] [-8.29708279e-09 -2.33379951e-27 -1.54789085e-09] [ 8.29708279e-09 -2.33379951e-27 -1.54789085e-09] [-1.46497717e-47 2.29373445e-09 3.92999121e-09] [ 2.41436116e-47 -2.29373445e-09 3.92999121e-09] [-2.29373445e-09 5.92572841e-27 3.92999121e-09] [ 2.29373445e-09 5.92596736e-27 3.92999121e-09] [-2.38949808e-31 2.29373445e-09 -3.92999121e-09] [ 1.46497717e-47 -2.29373445e-09 -3.92999121e-09] [ 2.29373445e-09 -5.92596736e-27 -3.92999121e-09] [-2.29373445e-09 -5.92596736e-27 -3.92999121e-09] [-1.91159846e-30 -5.96929491e-09 2.52530272e-09] [ 9.55799231e-31 5.96929491e-09 2.52530272e-09] [ 5.96929491e-09 3.80642761e-27 2.52530272e-09] [-5.96929491e-09 3.80774183e-27 2.52530272e-09] [-1.91159846e-30 -5.96929491e-09 -2.52530272e-09] [ 9.55799231e-31 5.96929491e-09 -2.52530272e-09] [-5.96929491e-09 -3.80881711e-27 -2.52530272e-09] [ 5.96929491e-09 -3.80738341e-27 -2.52530272e-09] [-2.38949808e-31 -6.54390759e-10 8.18674539e-09] [ 2.38949808e-31 6.54390759e-10 8.18674539e-09] [ 6.54390759e-10 1.23451330e-26 8.18674539e-09] [-6.54390759e-10 1.23441772e-26 8.18674539e-09] [-4.35474986e-48 -6.54390759e-10 -8.18674539e-09] [ 4.77899616e-31 6.54390759e-10 -8.18674539e-09] [-6.54390759e-10 -1.23446551e-26 -8.18674539e-09] [ 6.54390759e-10 -1.23446551e-26 -8.18674539e-09] [-1.19474904e-30 3.77821604e-09 -7.63448414e-09] [-8.36324327e-31 -3.77821604e-09 -7.63448414e-09] [-3.77821604e-09 -1.15111928e-26 -7.63448414e-09] [ 3.77821604e-09 -1.15128655e-26 -7.63448414e-09] [-2.27285659e-47 3.77821604e-09 7.63448414e-09] [ 4.11715003e-47 -3.77821604e-09 7.63448414e-09] [ 3.77821604e-09 1.15123876e-26 7.63448414e-09] [-3.77821604e-09 1.15119097e-26 7.63448414e-09] [ 3.66527329e-09 -2.27187641e-10 -8.96462528e-10] [-3.66527329e-09 2.27187641e-10 -8.96462528e-10] [ 2.27187641e-10 3.66527329e-09 -8.96462528e-10] [-2.27187641e-10 -3.66527329e-09 -8.96462528e-10] [-3.66527329e-09 -2.27187641e-10 8.96462528e-10] [ 3.66527329e-09 2.27187641e-10 8.96462528e-10] [-2.27187641e-10 3.66527329e-09 8.96462528e-10] [ 2.27187641e-10 -3.66527329e-09 8.96462528e-10] [-3.66527329e-09 2.27187641e-10 8.96462528e-10] [ 3.66527329e-09 -2.27187641e-10 8.96462528e-10] [-2.27187641e-10 -3.66527329e-09 8.96462528e-10] [ 2.27187641e-10 3.66527329e-09 8.96462528e-10] [ 3.66527329e-09 2.27187641e-10 -8.96462528e-10] [-3.66527329e-09 -2.27187641e-10 -8.96462528e-10] [ 2.27187641e-10 -3.66527329e-09 -8.96462528e-10] [-2.27187641e-10 3.66527329e-09 -8.96462528e-10] [-3.03852124e-09 4.65673447e-10 3.51771275e-10] [ 3.03852124e-09 -4.65673447e-10 3.51771275e-10] [-4.65673447e-10 -3.03852124e-09 3.51771275e-10] [ 4.65673447e-10 3.03852124e-09 3.51771275e-10] [ 3.03852124e-09 4.65673447e-10 -3.51771275e-10] [-3.03852124e-09 -4.65673447e-10 -3.51771275e-10] [ 4.65673447e-10 -3.03852124e-09 -3.51771275e-10] [-4.65673447e-10 3.03852124e-09 -3.51771275e-10] [ 3.03852124e-09 -4.65673447e-10 -3.51771275e-10] [-3.03852124e-09 4.65673447e-10 -3.51771275e-10] [ 4.65673447e-10 3.03852124e-09 -3.51771275e-10] [-4.65673447e-10 -3.03852124e-09 -3.51771275e-10] [-3.03852124e-09 -4.65673447e-10 3.51771275e-10] [ 3.03852124e-09 4.65673447e-10 3.51771275e-10] [-4.65673447e-10 3.03852124e-09 3.51771275e-10] [ 4.65673447e-10 -3.03852124e-09 3.51771275e-10] [-1.82435264e-09 -4.65763397e-10 1.79307260e-09] [ 1.82435264e-09 4.65763397e-10 1.79307260e-09] [ 4.65763397e-10 -1.82435264e-09 1.79307260e-09] [-4.65763397e-10 1.82435264e-09 1.79307260e-09] [ 1.82435264e-09 -4.65763397e-10 -1.79307260e-09] [-1.82435264e-09 4.65763397e-10 -1.79307260e-09] [-4.65763397e-10 -1.82435264e-09 -1.79307260e-09] [ 4.65763397e-10 1.82435264e-09 -1.79307260e-09] [ 1.82435264e-09 4.65763397e-10 -1.79307260e-09] [-1.82435264e-09 -4.65763397e-10 -1.79307260e-09] [-4.65763397e-10 1.82435264e-09 -1.79307260e-09] [ 4.65763397e-10 -1.82435264e-09 -1.79307260e-09] [-1.82435264e-09 4.65763397e-10 1.79307260e-09] [ 1.82435264e-09 -4.65763397e-10 1.79307260e-09] [ 4.65763397e-10 1.82435264e-09 1.79307260e-09] [-4.65763397e-10 -1.82435264e-09 1.79307260e-09] [ 1.40714478e-09 3.04301786e-09 1.38703742e-09] [-1.40714478e-09 -3.04301786e-09 1.38703742e-09] [-3.04301786e-09 1.40714478e-09 1.38703742e-09] [ 3.04301786e-09 -1.40714478e-09 1.38703742e-09] [-1.40714478e-09 3.04301786e-09 -1.38703742e-09] [ 1.40714478e-09 -3.04301786e-09 -1.38703742e-09] [ 3.04301786e-09 1.40714478e-09 -1.38703742e-09] [-3.04301786e-09 -1.40714478e-09 -1.38703742e-09] [-1.40714478e-09 -3.04301786e-09 -1.38703742e-09] [ 1.40714478e-09 3.04301786e-09 -1.38703742e-09] [ 3.04301786e-09 -1.40714478e-09 -1.38703742e-09] [-3.04301786e-09 1.40714478e-09 -1.38703742e-09] [ 1.40714478e-09 -3.04301786e-09 1.38703742e-09] [-1.40714478e-09 3.04301786e-09 1.38703742e-09] [-3.04301786e-09 -1.40714478e-09 1.38703742e-09] [ 3.04301786e-09 1.40714478e-09 1.38703742e-09]] stress = [1.57335749e-12 1.57335749e-12 7.04768165e-13 2.49900467e-28 2.90131207e-51 2.67430022e-66] energy per atom = -3.2697563066678272 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0