element(s): ['O', 'Si'] AFLOW prototype label: A2B_mC72_8_4a10b_6b Parameter names: ['a', 'b/a', 'c/a', 'beta', 'x1', 'z1', 'x2', 'z2', 'x3', 'z3', 'x4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11', 'x12', 'y12', 'z12', 'x13', 'y13', 'z13', 'x14', 'y14', 'z14', 'x15', 'y15', 'z15', 'x16', 'y16', 'z16', 'x17', 'y17', 'z17', 'x18', 'y18', 'z18', 'x19', 'y19', 'z19', 'x20', 'y20', 'z20'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['10.4908', '1.4535879', '0.85881916', '74.5131', '0.24616373', '0.28247793', '0.76543584', '0.69548932', '0.12025346', '0.74263471', '0.87659597', '0.28371303', '0.56039698', '0.62039546', '0.28702385', '0.18159256', '0.11548908', '0.51253531', '0.44394395', '0.62094608', '0.71536991', '0.65735817', '0.66553901', '0.8008207', '0.3120094', '0.16693981', '0.23371115', '0.68927164', '0.16138536', '0.77730289', '0.49671207', '0.77487926', '0.99715436', '0.74402029', '0.24996152', '0.0074115074', '0.82343831', '0.12956118', '0.48985132', '0.34851968', '0.66080169', '0.19405024', '0.35060109', '0.75463974', '0.10727636', '0.80605312', '0.102853', '0.66941363', '0.40261412', '0.60267515', '0.314305', '0.64676481', '0.7570245', '0.89628234', '0.19956881', '0.10065051', '0.32910572', '0.1007455', '0.10064773', '0.69174323'] model name: Sim_LAMMPS_Vashishta_VashishtaKaliaRino_1990_SiO__SM_887826436433_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0.75383627 0. 0.71752207] [0.23456416 0. 0.30451068] [0.87974654 0. 0.25736529] [0.12340403 0. 0.71628697] [0.43960302 0.62039546 0.71297615] [0.81840744 0.11548908 0.48746469] [0.55605605 0.62094608 0.28463009] [0.34264183 0.66553901 0.1991793 ] [0.6879906 0.16693981 0.76628885] [0.31072836 0.16138536 0.22269711] [0.50328793 0.77487926 0.00284564] [0.25597971 0.24996152 0.99258849] [0.17656169 0.12956118 0.51014868] [0.65148032 0.66080169 0.80594976] [0.64939891 0.75463974 0.89272364] [0.19394688 0.102853 0.33058637] [0.59738588 0.60267515 0.685695 ] [0.35323519 0.7570245 0.10371766] [0.80043119 0.10065051 0.67089428] [0.8992545 0.10064773 0.30825677]] spacegroup = 8 cell = [[10.4908, 0, 0], [0, 15.2493, 0], [2.405752492906, 0, 8.6825715679674]] ========================================= Step Time Energy fmax BFGS: 0 15:35:30 -643.956518 1.8057 BFGS: 1 15:35:30 -644.616652 0.8775 BFGS: 2 15:35:30 -644.837025 0.3867 BFGS: 3 15:35:30 -644.894221 0.3071 BFGS: 4 15:35:30 -644.934270 0.2688 BFGS: 5 15:35:30 -644.956238 0.2516 BFGS: 6 15:35:30 -644.975621 0.2398 BFGS: 7 15:35:30 -644.997623 0.2290 BFGS: 8 15:35:30 -645.035403 0.2885 BFGS: 9 15:35:30 -645.077013 0.3219 BFGS: 10 15:35:30 -645.118935 0.3016 BFGS: 11 15:35:30 -645.158222 0.2793 BFGS: 12 15:35:30 -645.191666 0.2649 BFGS: 13 15:35:30 -645.217932 0.2830 BFGS: 14 15:35:31 -645.238898 0.2907 BFGS: 15 15:35:31 -645.257694 0.2803 BFGS: 16 15:35:31 -645.285840 0.2499 BFGS: 17 15:35:31 -645.314357 0.2429 BFGS: 18 15:35:31 -645.342638 0.2708 BFGS: 19 15:35:31 -645.370845 0.2877 BFGS: 20 15:35:31 -645.399116 0.2945 BFGS: 21 15:35:31 -645.427453 0.2943 BFGS: 22 15:35:31 -645.455776 0.2888 BFGS: 23 15:35:31 -645.483914 0.2789 BFGS: 24 15:35:31 -645.511866 0.2649 BFGS: 25 15:35:31 -645.539399 0.2472 BFGS: 26 15:35:31 -645.566511 0.2310 BFGS: 27 15:35:31 -645.592894 0.2166 BFGS: 28 15:35:31 -645.618268 0.1951 BFGS: 29 15:35:31 -645.642410 0.2228 BFGS: 30 15:35:31 -645.665366 0.2491 BFGS: 31 15:35:31 -645.687378 0.2692 BFGS: 32 15:35:31 -645.710459 0.2732 BFGS: 33 15:35:31 -645.732798 0.2389 BFGS: 34 15:35:31 -645.766053 0.2251 BFGS: 35 15:35:31 -645.796277 0.2055 BFGS: 36 15:35:31 -645.816784 0.1667 BFGS: 37 15:35:31 -645.836047 0.2001 BFGS: 38 15:35:31 -645.861565 0.2176 BFGS: 39 15:35:31 -645.896477 0.2787 BFGS: 40 15:35:31 -645.924961 0.3508 BFGS: 41 15:35:31 -645.957204 0.3927 BFGS: 42 15:35:31 -645.985209 0.3887 BFGS: 43 15:35:31 -646.016015 0.3378 BFGS: 44 15:35:31 -646.037807 0.2512 BFGS: 45 15:35:31 -646.060190 0.2131 BFGS: 46 15:35:31 -646.075370 0.2240 BFGS: 47 15:35:31 -646.089224 0.2075 BFGS: 48 15:35:31 -646.097915 0.2197 BFGS: 49 15:35:31 -646.108535 0.2110 BFGS: 50 15:35:31 -646.121468 0.2089 BFGS: 51 15:35:31 -646.134154 0.1920 BFGS: 52 15:35:31 -646.145868 0.1782 BFGS: 53 15:35:31 -646.156633 0.1609 BFGS: 54 15:35:32 -646.165562 0.1475 BFGS: 55 15:35:32 -646.173405 0.1352 BFGS: 56 15:35:32 -646.180054 0.1310 BFGS: 57 15:35:32 -646.187039 0.1292 BFGS: 58 15:35:32 -646.193032 0.1300 BFGS: 59 15:35:32 -646.198486 0.1257 BFGS: 60 15:35:32 -646.203361 0.1181 BFGS: 61 15:35:32 -646.207511 0.1045 BFGS: 62 15:35:32 -646.211211 0.1030 BFGS: 63 15:35:32 -646.215595 0.1035 BFGS: 64 15:35:32 -646.220636 0.1168 BFGS: 65 15:35:32 -646.226607 0.1207 BFGS: 66 15:35:32 -646.232805 0.1214 BFGS: 67 15:35:32 -646.239389 0.1209 BFGS: 68 15:35:32 -646.246066 0.1256 BFGS: 69 15:35:32 -646.252806 0.1274 BFGS: 70 15:35:32 -646.259557 0.1272 BFGS: 71 15:35:32 -646.266282 0.1263 BFGS: 72 15:35:32 -646.272979 0.1242 BFGS: 73 15:35:32 -646.279612 0.1209 BFGS: 74 15:35:32 -646.286148 0.1165 BFGS: 75 15:35:32 -646.292555 0.1117 BFGS: 76 15:35:32 -646.298831 0.1100 BFGS: 77 15:35:32 -646.304958 0.1087 BFGS: 78 15:35:32 -646.310895 0.1062 BFGS: 79 15:35:32 -646.316631 0.1027 BFGS: 80 15:35:33 -646.322159 0.0999 BFGS: 81 15:35:33 -646.327471 0.1023 BFGS: 82 15:35:33 -646.332549 0.1046 BFGS: 83 15:35:33 -646.337393 0.1069 BFGS: 84 15:35:33 -646.342004 0.1090 BFGS: 85 15:35:33 -646.346410 0.1110 BFGS: 86 15:35:33 -646.350639 0.1127 BFGS: 87 15:35:33 -646.354733 0.1141 BFGS: 88 15:35:33 -646.358721 0.1153 BFGS: 89 15:35:34 -646.362638 0.1164 BFGS: 90 15:35:34 -646.366472 0.1175 BFGS: 91 15:35:34 -646.370244 0.1214 BFGS: 92 15:35:34 -646.374012 0.1253 BFGS: 93 15:35:35 -646.377800 0.1286 BFGS: 94 15:35:35 -646.381626 0.1314 BFGS: 95 15:35:35 -646.386034 0.1329 BFGS: 96 15:35:35 -646.390475 0.1341 BFGS: 97 15:35:35 -646.395122 0.1347 BFGS: 98 15:35:35 -646.399833 0.1345 BFGS: 99 15:35:36 -646.404678 0.1336 BFGS: 100 15:35:36 -646.409613 0.1318 BFGS: 101 15:35:36 -646.414676 0.1293 BFGS: 102 15:35:36 -646.419839 0.1261 BFGS: 103 15:35:36 -646.425103 0.1260 BFGS: 104 15:35:36 -646.430439 0.1260 BFGS: 105 15:35:36 -646.435851 0.1251 BFGS: 106 15:35:36 -646.441296 0.1236 BFGS: 107 15:35:36 -646.446794 0.1213 BFGS: 108 15:35:37 -646.452257 0.1184 BFGS: 109 15:35:37 -646.457706 0.1148 BFGS: 110 15:35:37 -646.463098 0.1109 BFGS: 111 15:35:37 -646.468494 0.1087 BFGS: 112 15:35:37 -646.473900 0.1111 BFGS: 113 15:35:37 -646.479254 0.1127 BFGS: 114 15:35:37 -646.484560 0.1135 BFGS: 115 15:35:37 -646.489830 0.1133 BFGS: 116 15:35:38 -646.495057 0.1121 BFGS: 117 15:35:38 -646.500255 0.1122 BFGS: 118 15:35:38 -646.505427 0.1136 BFGS: 119 15:35:38 -646.510580 0.1147 BFGS: 120 15:35:38 -646.515750 0.1153 BFGS: 121 15:35:38 -646.520955 0.1154 BFGS: 122 15:35:38 -646.526231 0.1148 BFGS: 123 15:35:38 -646.531524 0.1136 BFGS: 124 15:35:39 -646.536638 0.1118 BFGS: 125 15:35:39 -646.541676 0.1092 BFGS: 126 15:35:39 -646.546574 0.1061 BFGS: 127 15:35:39 -646.551319 0.1024 BFGS: 128 15:35:39 -646.555807 0.0985 BFGS: 129 15:35:39 -646.560122 0.0941 BFGS: 130 15:35:39 -646.564114 0.0901 BFGS: 131 15:35:39 -646.567834 0.0860 BFGS: 132 15:35:40 -646.571211 0.0826 BFGS: 133 15:35:40 -646.574294 0.0793 BFGS: 134 15:35:40 -646.576952 0.0771 BFGS: 135 15:35:40 -646.579335 0.0749 BFGS: 136 15:35:40 -646.581329 0.0740 BFGS: 137 15:35:40 -646.583335 0.0726 BFGS: 138 15:35:40 -646.585138 0.0723 BFGS: 139 15:35:40 -646.587304 0.0703 BFGS: 140 15:35:40 -646.589298 0.0696 BFGS: 141 15:35:41 -646.591513 0.0674 BFGS: 142 15:35:41 -646.593064 0.0665 BFGS: 143 15:35:41 -646.594267 0.0651 BFGS: 144 15:35:41 -646.595428 0.0638 BFGS: 145 15:35:41 -646.596420 0.0634 BFGS: 146 15:35:41 -646.597374 0.0634 BFGS: 147 15:35:41 -646.598495 0.0638 BFGS: 148 15:35:41 -646.599775 0.0635 BFGS: 149 15:35:41 -646.601316 0.0632 BFGS: 150 15:35:41 -646.602982 0.0615 BFGS: 151 15:35:42 -646.604683 0.0597 BFGS: 152 15:35:42 -646.606271 0.0564 BFGS: 153 15:35:42 -646.607787 0.0528 BFGS: 154 15:35:42 -646.609312 0.0471 BFGS: 155 15:35:42 -646.611065 0.0412 BFGS: 156 15:35:42 -646.613066 0.0374 BFGS: 157 15:35:42 -646.615713 0.0409 BFGS: 158 15:35:42 -646.618002 0.0469 BFGS: 159 15:35:42 -646.619804 0.0463 BFGS: 160 15:35:43 -646.621050 0.0451 BFGS: 161 15:35:43 -646.622063 0.0397 BFGS: 162 15:35:43 -646.622952 0.0376 BFGS: 163 15:35:43 -646.623779 0.0348 BFGS: 164 15:35:43 -646.624545 0.0318 BFGS: 165 15:35:43 -646.625241 0.0285 BFGS: 166 15:35:43 -646.625954 0.0255 BFGS: 167 15:35:43 -646.626621 0.0227 BFGS: 168 15:35:44 -646.627309 0.0211 BFGS: 169 15:35:44 -646.627867 0.0209 BFGS: 170 15:35:44 -646.628370 0.0218 BFGS: 171 15:35:44 -646.628752 0.0227 BFGS: 172 15:35:44 -646.628947 0.0190 BFGS: 173 15:35:44 -646.629046 0.0147 BFGS: 174 15:35:44 -646.629161 0.0088 BFGS: 175 15:35:44 -646.629246 0.0085 BFGS: 176 15:35:44 -646.629313 0.0114 BFGS: 177 15:35:44 -646.629384 0.0126 BFGS: 178 15:35:45 -646.629460 0.0125 BFGS: 179 15:35:45 -646.629544 0.0101 BFGS: 180 15:35:45 -646.629640 0.0091 BFGS: 181 15:35:45 -646.629749 0.0097 BFGS: 182 15:35:45 -646.629878 0.0137 BFGS: 183 15:35:45 -646.630051 0.0172 BFGS: 184 15:35:45 -646.630250 0.0211 BFGS: 185 15:35:45 -646.630451 0.0219 BFGS: 186 15:35:46 -646.630653 0.0216 BFGS: 187 15:35:46 -646.631003 0.0228 BFGS: 188 15:35:46 -646.631503 0.0281 BFGS: 189 15:35:46 -646.632103 0.0367 BFGS: 190 15:35:46 -646.633072 0.0494 BFGS: 191 15:35:46 -646.633702 0.0436 BFGS: 192 15:35:46 -646.634881 0.0325 BFGS: 193 15:35:46 -646.635577 0.0341 BFGS: 194 15:35:46 -646.636262 0.0381 BFGS: 195 15:35:46 -646.637019 0.0467 BFGS: 196 15:35:47 -646.637751 0.0453 BFGS: 197 15:35:47 -646.638623 0.0418 BFGS: 198 15:35:47 -646.639894 0.0354 BFGS: 199 15:35:47 -646.640973 0.0373 BFGS: 200 15:35:47 -646.642572 0.0435 BFGS: 201 15:35:47 -646.644004 0.0420 BFGS: 202 15:35:47 -646.645118 0.0321 BFGS: 203 15:35:47 -646.646018 0.0346 BFGS: 204 15:35:47 -646.646919 0.0346 BFGS: 205 15:35:47 -646.647671 0.0255 BFGS: 206 15:35:48 -646.648173 0.0208 BFGS: 207 15:35:48 -646.648441 0.0162 BFGS: 208 15:35:48 -646.648559 0.0124 BFGS: 209 15:35:48 -646.648643 0.0087 BFGS: 210 15:35:48 -646.648718 0.0084 BFGS: 211 15:35:48 -646.648781 0.0081 BFGS: 212 15:35:48 -646.648817 0.0056 BFGS: 213 15:35:49 -646.648833 0.0056 BFGS: 214 15:35:49 -646.648840 0.0056 BFGS: 215 15:35:49 -646.648846 0.0056 BFGS: 216 15:35:49 -646.648851 0.0058 BFGS: 217 15:35:49 -646.648855 0.0059 BFGS: 218 15:35:49 -646.648860 0.0060 BFGS: 219 15:35:49 -646.648867 0.0060 BFGS: 220 15:35:49 -646.648875 0.0059 BFGS: 221 15:35:49 -646.648889 0.0062 BFGS: 222 15:35:50 -646.648913 0.0089 BFGS: 223 15:35:50 -646.648954 0.0112 BFGS: 224 15:35:50 -646.649025 0.0124 BFGS: 225 15:35:50 -646.649124 0.0127 BFGS: 226 15:35:50 -646.649233 0.0109 BFGS: 227 15:35:50 -646.649321 0.0123 BFGS: 228 15:35:50 -646.649382 0.0107 BFGS: 229 15:35:50 -646.649422 0.0064 BFGS: 230 15:35:51 -646.649445 0.0042 BFGS: 231 15:35:51 -646.649455 0.0029 BFGS: 232 15:35:51 -646.649458 0.0018 BFGS: 233 15:35:51 -646.649459 0.0009 BFGS: 234 15:35:51 -646.649459 0.0003 BFGS: 235 15:35:51 -646.649459 0.0002 BFGS: 236 15:35:51 -646.649459 0.0001 BFGS: 237 15:35:51 -646.649459 0.0000 BFGS: 238 15:35:51 -646.649459 0.0000 BFGS: 239 15:35:52 -646.649459 0.0000 BFGS: 240 15:35:52 -646.649459 0.0000 BFGS: 241 15:35:52 -646.649459 0.0000 BFGS: 242 15:35:52 -646.649459 0.0000 BFGS: 243 15:35:52 -646.649459 0.0000 BFGS: 244 15:35:52 -646.649459 0.0000 BFGS: 245 15:35:52 -646.649459 0.0000 BFGS: 246 15:35:53 -646.649459 0.0000 BFGS: 247 15:35:53 -646.649459 0.0000 BFGS: 248 15:35:53 -646.649459 0.0000 BFGS: 249 15:35:53 -646.649459 0.0000 BFGS: 250 15:35:53 -646.649459 0.0000 Minimization converged after 250 steps. Maximum force component: 7.454780534665377e-09 eV/Angstrom Maximum stress component: 4.265822503712353e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', '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 = [[7.44369959e-01 6.57401460e-34 7.31530338e-01] [2.44369959e-01 5.00000000e-01 7.31530338e-01] [2.24083490e-01 1.33682115e-34 2.75935011e-01] [7.24083490e-01 5.00000000e-01 2.75935011e-01] [8.65534170e-01 0.00000000e+00 2.59855726e-01] [3.65534170e-01 5.00000000e-01 2.59855726e-01] [1.08678704e-01 0.00000000e+00 7.26580199e-01] [6.08678704e-01 5.00000000e-01 7.26580199e-01] [4.40404220e-01 6.24733061e-01 6.77197878e-01] [4.40404220e-01 3.75266939e-01 6.77197878e-01] [9.40404220e-01 1.24733061e-01 6.77197878e-01] [9.40404220e-01 8.75266939e-01 6.77197878e-01] [7.66424104e-01 1.07006203e-01 4.95212057e-01] [7.66424104e-01 8.92993797e-01 4.95212057e-01] [2.66424104e-01 6.07006203e-01 4.95212057e-01] [2.66424104e-01 3.92993797e-01 4.95212057e-01] [5.31820935e-01 6.24940511e-01 3.19171661e-01] [5.31820935e-01 3.75059489e-01 3.19171661e-01] [3.18209346e-02 1.24940511e-01 3.19171661e-01] [3.18209346e-02 8.75059489e-01 3.19171661e-01] [3.14082645e-01 6.66642056e-01 2.04371485e-01] [3.14082645e-01 3.33357944e-01 2.04371485e-01] [8.14082645e-01 1.66642056e-01 2.04371485e-01] [8.14082645e-01 8.33357944e-01 2.04371485e-01] [6.67037664e-01 1.67650011e-01 7.84980969e-01] [6.67037664e-01 8.32349989e-01 7.84980969e-01] [1.67037664e-01 6.67650011e-01 7.84980969e-01] [1.67037664e-01 3.32349989e-01 7.84980969e-01] [3.13515885e-01 1.61159074e-01 2.05812468e-01] [3.13515885e-01 8.38840926e-01 2.05812468e-01] [8.13515885e-01 6.61159074e-01 2.05812468e-01] [8.13515885e-01 3.38840926e-01 2.05812468e-01] [5.46914327e-01 7.53444682e-01 5.31553897e-02] [5.46914327e-01 2.46555318e-01 5.31553897e-02] [4.69143272e-02 2.53444682e-01 5.31553897e-02] [4.69143272e-02 7.46555318e-01 5.31553897e-02] [3.23366883e-01 2.47481220e-01 9.44062289e-01] [3.23366883e-01 7.52518780e-01 9.44062289e-01] [8.23366883e-01 7.47481220e-01 9.44062289e-01] [8.23366883e-01 2.52518780e-01 9.44062289e-01] [2.06298447e-01 1.13776290e-01 5.01866600e-01] [2.06298447e-01 8.86223710e-01 5.01866600e-01] [7.06298447e-01 6.13776290e-01 5.01866600e-01] [7.06298447e-01 3.86223710e-01 5.01866600e-01] [6.60483270e-01 6.60247053e-01 8.00381360e-01] [6.60483270e-01 3.39752947e-01 8.00381360e-01] [1.60483270e-01 1.60247053e-01 8.00381360e-01] [1.60483270e-01 8.39752947e-01 8.00381360e-01] [6.73763253e-01 7.48773391e-01 8.93216521e-01] [6.73763253e-01 2.51226609e-01 8.93216521e-01] [1.73763253e-01 2.48773391e-01 8.93216521e-01] [1.73763253e-01 7.51226609e-01 8.93216521e-01] [1.96165706e-01 1.01322975e-01 3.23744572e-01] [1.96165706e-01 8.98677025e-01 3.23744572e-01] [6.96165706e-01 6.01322975e-01 3.23744572e-01] [6.96165706e-01 3.98677025e-01 3.23744572e-01] [6.05570844e-01 6.01158192e-01 6.77852317e-01] [6.05570844e-01 3.98841808e-01 6.77852317e-01] [1.05570844e-01 1.01158192e-01 6.77852317e-01] [1.05570844e-01 8.98841808e-01 6.77852317e-01] [3.72586864e-01 7.53162576e-01 1.04155100e-01] [3.72586864e-01 2.46837424e-01 1.04155100e-01] [8.72586864e-01 2.53162576e-01 1.04155100e-01] [8.72586864e-01 7.46837424e-01 1.04155100e-01] [7.75648381e-01 1.00003531e-01 6.74495888e-01] [7.75648381e-01 8.99996469e-01 6.74495888e-01] [2.75648381e-01 6.00003531e-01 6.74495888e-01] [2.75648381e-01 3.99996469e-01 6.74495888e-01] [8.66748410e-01 9.98707148e-02 3.17857793e-01] [8.66748410e-01 9.00129285e-01 3.17857793e-01] [3.66748410e-01 5.99870715e-01 3.17857793e-01] [3.66748410e-01 4.00129285e-01 3.17857793e-01]] cellpar = Cell([[9.510833242085905, 2.442941685025953e-20, 0.07717176861994425], [1.0487807177301108e-19, 15.30721268111421, 8.316608941053528e-19], [2.238864039226699, 3.353903343803711e-19, 8.558959358313665]]) forces = [[-5.12221154e-09 -1.21697894e-28 -2.85380467e-09] [-5.12221154e-09 -1.21697894e-28 -2.85380467e-09] [-3.79726820e-09 1.14240346e-28 3.18180856e-09] [-3.79726820e-09 1.14240346e-28 3.18180856e-09] [ 7.45478053e-09 6.83492042e-29 1.33525986e-09] [ 7.45478053e-09 6.83492042e-29 1.33525986e-09] [ 1.41171051e-09 1.03110642e-28 2.58904802e-09] [ 1.41171051e-09 1.03110642e-28 2.58904802e-09] [ 1.49713711e-09 2.93877510e-09 1.48400500e-09] [ 1.49713711e-09 -2.93877510e-09 1.48400500e-09] [ 1.49713711e-09 2.93877510e-09 1.48400500e-09] [ 1.49713711e-09 -2.93877510e-09 1.48400500e-09] [-2.46874999e-09 -3.13563076e-09 1.22298385e-09] [-2.46874999e-09 3.13563076e-09 1.22298385e-09] [-2.46874999e-09 -3.13563076e-09 1.22298385e-09] [-2.46874999e-09 3.13563076e-09 1.22298385e-09] [-1.15282624e-09 -4.64257734e-09 -5.41056504e-09] [-1.15282624e-09 4.64257734e-09 -5.41056504e-09] [-1.15282624e-09 -4.64257734e-09 -5.41056504e-09] [-1.15282624e-09 4.64257734e-09 -5.41056504e-09] [ 4.52852595e-09 1.36804459e-09 -3.95928769e-11] [ 4.52852595e-09 -1.36804459e-09 -3.95928769e-11] [ 4.52852595e-09 1.36804459e-09 -3.95928769e-11] [ 4.52852595e-09 -1.36804459e-09 -3.95928769e-11] [-2.16860102e-09 1.55465166e-09 2.09826809e-09] [-2.16860102e-09 -1.55465166e-09 2.09826809e-09] [-2.16860102e-09 1.55465166e-09 2.09826809e-09] [-2.16860102e-09 -1.55465166e-09 2.09826809e-09] [-1.13467996e-10 1.61861670e-09 2.26005910e-09] [-1.13467996e-10 -1.61861670e-09 2.26005910e-09] [-1.13467996e-10 1.61861670e-09 2.26005910e-09] [-1.13467996e-10 -1.61861670e-09 2.26005910e-09] [-7.94915976e-10 -1.63011358e-09 2.94292178e-11] [-7.94915976e-10 1.63011358e-09 2.94292178e-11] [-7.94915976e-10 -1.63011358e-09 2.94292178e-11] [-7.94915976e-10 1.63011358e-09 2.94292178e-11] [-9.96832509e-12 1.31148938e-09 -2.20896872e-09] [-9.96832509e-12 -1.31148938e-09 -2.20896872e-09] [-9.96832509e-12 1.31148938e-09 -2.20896872e-09] [-9.96832509e-12 -1.31148938e-09 -2.20896872e-09] [ 4.39539319e-09 2.61140477e-10 -1.31558518e-09] [ 4.39539319e-09 -2.61140477e-10 -1.31558518e-09] [ 4.39539319e-09 2.61140477e-10 -1.31558518e-09] [ 4.39539319e-09 -2.61140477e-10 -1.31558518e-09] [-1.71085093e-09 1.50797736e-09 -1.27359098e-09] [-1.71085093e-09 -1.50797736e-09 -1.27359098e-09] [-1.71085093e-09 1.50797736e-09 -1.27359098e-09] [-1.71085093e-09 -1.50797736e-09 -1.27359098e-09] [-1.43122254e-09 -1.64432372e-09 7.37963507e-10] [-1.43122254e-09 1.64432372e-09 7.37963507e-10] [-1.43122254e-09 -1.64432372e-09 7.37963507e-10] [-1.43122254e-09 1.64432372e-09 7.37963507e-10] [-2.22038252e-09 1.86354168e-10 6.42235955e-10] [-2.22038252e-09 -1.86354168e-10 6.42235955e-10] [-2.22038252e-09 1.86354168e-10 6.42235955e-10] [-2.22038252e-09 -1.86354168e-10 6.42235955e-10] [ 3.20260143e-09 -1.63753844e-10 -1.22284294e-09] [ 3.20260143e-09 1.63753844e-10 -1.22284294e-09] [ 3.20260143e-09 -1.63753844e-10 -1.22284294e-09] [ 3.20260143e-09 1.63753844e-10 -1.22284294e-09] [-1.28900936e-10 1.29290945e-09 -2.14265343e-09] [-1.28900936e-10 -1.29290945e-09 -2.14265343e-09] [-1.28900936e-10 1.29290945e-09 -2.14265343e-09] [-1.28900936e-10 -1.29290945e-09 -2.14265343e-09] [-1.72638581e-10 2.51212752e-09 1.71631434e-09] [-1.72638581e-10 -2.51212752e-09 1.71631434e-09] [-1.72638581e-10 2.51212752e-09 1.71631434e-09] [-1.72638581e-10 -2.51212752e-09 1.71631434e-09] [-1.22464122e-09 -7.02020157e-10 1.29638253e-09] [-1.22464122e-09 7.02020157e-10 1.29638253e-09] [-1.22464122e-09 -7.02020157e-10 1.29638253e-09] [-1.22464122e-09 7.02020157e-10 1.29638253e-09]] stress = [-2.15359895e-11 4.26582250e-11 8.61575876e-12 -1.96877795e-31 1.35027208e-11 8.75153516e-31] energy per atom = -8.981242490988281 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0