element(s): ['Si'] AFLOW prototype label: A_mC16_12_4i Parameter names: ['a', 'b/a', 'c/a', 'beta', 'x1', 'z1', 'x2', 'z2', 'x3', 'z3', 'x4', 'z4'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['13.9056', '0.27794558', '1.0489443', '154.3362', '0.18156111', '0.12588526', '0.90562063', '0.34640648', '0.15579867', '0.9429254', '0.14139464', '0.41433526'] model name: Sim_LAMMPS_Vashishta_BroughtonMeliVashishta_1997_SiO__SM_422553794879_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0.94432415 0. 0.87411474] [0.44078585 0. 0.65359352] [0.78712673 0. 0.0570746 ] [0.27294062 0. 0.58566474]] spacegroup = 12 cell = [[13.9056, 0, 0], [0, 3.865, 0], [0.75831798477852, 0, 6.3171480973586]] ========================================= Step Time Energy fmax BFGS: 0 16:18:27 58.118243 5.1481 BFGS: 1 16:18:27 57.330994 5.0720 BFGS: 2 16:18:27 56.556173 4.9969 BFGS: 3 16:18:27 55.793439 4.9228 BFGS: 4 16:18:27 55.042480 4.8496 BFGS: 5 16:18:27 54.303008 4.7775 BFGS: 6 16:18:27 53.574756 4.7063 BFGS: 7 16:18:27 52.857467 4.6362 BFGS: 8 16:18:27 52.150710 4.5673 BFGS: 9 16:18:27 51.454141 4.4993 BFGS: 10 16:18:27 50.767548 4.4326 BFGS: 11 16:18:27 50.090770 4.3673 BFGS: 12 16:18:27 49.423697 4.3028 BFGS: 13 16:18:27 48.767615 4.2394 BFGS: 14 16:18:27 48.122270 4.1769 BFGS: 15 16:18:27 47.487129 4.1184 BFGS: 16 16:18:27 46.861729 4.0607 BFGS: 17 16:18:27 46.245882 4.0083 BFGS: 18 16:18:27 45.639352 3.9590 BFGS: 19 16:18:27 45.041836 3.9127 BFGS: 20 16:18:27 44.453297 3.8667 BFGS: 21 16:18:27 43.873535 3.8212 BFGS: 22 16:18:27 43.302364 3.7759 BFGS: 23 16:18:27 42.739608 3.7310 BFGS: 24 16:18:27 42.185103 3.6865 BFGS: 25 16:18:27 41.638697 3.6423 BFGS: 26 16:18:27 41.100244 3.5985 BFGS: 27 16:18:27 40.569610 3.5550 BFGS: 28 16:18:27 40.046664 3.5119 BFGS: 29 16:18:27 39.531288 3.4691 BFGS: 30 16:18:27 39.023365 3.4266 BFGS: 31 16:18:27 38.522786 3.3844 BFGS: 32 16:18:27 38.029448 3.3426 BFGS: 33 16:18:27 37.543253 3.3011 BFGS: 34 16:18:27 37.064105 3.2600 BFGS: 35 16:18:28 36.591915 3.2191 BFGS: 36 16:18:28 36.126596 3.1786 BFGS: 37 16:18:28 35.668066 3.1384 BFGS: 38 16:18:28 35.216243 3.0985 BFGS: 39 16:18:28 34.771038 3.0594 BFGS: 40 16:18:28 34.332246 3.0207 BFGS: 41 16:18:28 33.899607 2.9824 BFGS: 42 16:18:28 33.473047 2.9442 BFGS: 43 16:18:28 33.052495 2.9064 BFGS: 44 16:18:28 32.637880 2.8687 BFGS: 45 16:18:28 32.229137 2.8314 BFGS: 46 16:18:28 31.826202 2.7942 BFGS: 47 16:18:28 31.429013 2.7573 BFGS: 48 16:18:28 31.037510 2.7207 BFGS: 49 16:18:28 30.651636 2.6843 BFGS: 50 16:18:28 30.271334 2.6481 BFGS: 51 16:18:28 29.896549 2.6121 BFGS: 52 16:18:28 29.527229 2.5764 BFGS: 53 16:18:28 29.163321 2.5410 BFGS: 54 16:18:28 28.804777 2.5057 BFGS: 55 16:18:28 28.451511 2.4717 BFGS: 56 16:18:28 28.103294 2.4395 BFGS: 57 16:18:28 27.760058 2.4079 BFGS: 58 16:18:28 27.421763 2.3764 BFGS: 59 16:18:28 27.088358 2.3452 BFGS: 60 16:18:28 26.759794 2.3142 BFGS: 61 16:18:28 26.436019 2.2834 BFGS: 62 16:18:28 26.116988 2.2528 BFGS: 63 16:18:28 25.802651 2.2224 BFGS: 64 16:18:28 25.492964 2.1922 BFGS: 65 16:18:28 25.187872 2.1624 BFGS: 66 16:18:28 24.887096 2.1338 BFGS: 67 16:18:28 24.590271 2.1057 BFGS: 68 16:18:28 24.297335 2.0777 BFGS: 69 16:18:28 24.008194 2.0500 BFGS: 70 16:18:28 23.722705 2.0225 BFGS: 71 16:18:28 23.440771 1.9957 BFGS: 72 16:18:28 23.162318 1.9690 BFGS: 73 16:18:28 22.887309 1.9425 BFGS: 74 16:18:28 22.615712 1.9162 BFGS: 75 16:18:28 22.347491 1.8901 BFGS: 76 16:18:28 22.082605 1.8643 BFGS: 77 16:18:28 21.820950 1.8389 BFGS: 78 16:18:28 21.562469 1.8137 BFGS: 79 16:18:28 21.307034 1.7900 BFGS: 80 16:18:28 21.054591 1.7666 BFGS: 81 16:18:29 20.805113 1.7433 BFGS: 82 16:18:29 20.558575 1.7201 BFGS: 83 16:18:29 20.314950 1.6971 BFGS: 84 16:18:29 20.074210 1.6743 BFGS: 85 16:18:29 19.836332 1.6516 BFGS: 86 16:18:29 19.601289 1.6291 BFGS: 87 16:18:29 19.369057 1.6068 BFGS: 88 16:18:29 19.139612 1.5846 BFGS: 89 16:18:29 18.912929 1.5625 BFGS: 90 16:18:29 18.688938 1.5406 BFGS: 91 16:18:29 18.467358 1.5189 BFGS: 92 16:18:29 18.248107 1.4974 BFGS: 93 16:18:29 18.031163 1.4761 BFGS: 94 16:18:29 17.816445 1.4551 BFGS: 95 16:18:29 17.603896 1.4343 BFGS: 96 16:18:29 17.393493 1.4136 BFGS: 97 16:18:29 17.185217 1.3931 BFGS: 98 16:18:29 16.979047 1.3728 BFGS: 99 16:18:29 16.774968 1.3527 BFGS: 100 16:18:29 16.572958 1.3328 BFGS: 101 16:18:29 16.372998 1.3129 BFGS: 102 16:18:29 16.175065 1.2932 BFGS: 103 16:18:29 15.979138 1.2737 BFGS: 104 16:18:29 15.785197 1.2542 BFGS: 105 16:18:29 15.593219 1.2349 BFGS: 106 16:18:29 15.403097 1.2160 BFGS: 107 16:18:29 15.214654 1.1986 BFGS: 108 16:18:29 15.027722 1.1864 BFGS: 109 16:18:29 14.842290 1.1751 BFGS: 110 16:18:29 14.658343 1.1639 BFGS: 111 16:18:29 14.475866 1.1528 BFGS: 112 16:18:29 14.294848 1.1418 BFGS: 113 16:18:29 14.115273 1.1308 BFGS: 114 16:18:29 13.937130 1.1198 BFGS: 115 16:18:29 13.760406 1.1089 BFGS: 116 16:18:29 13.585091 1.0981 BFGS: 117 16:18:29 13.411172 1.0874 BFGS: 118 16:18:29 13.238640 1.0767 BFGS: 119 16:18:29 13.067486 1.0660 BFGS: 120 16:18:29 12.897700 1.0554 BFGS: 121 16:18:29 12.729243 1.0451 BFGS: 122 16:18:29 12.562102 1.0348 BFGS: 123 16:18:29 12.396276 1.0247 BFGS: 124 16:18:29 12.231758 1.0145 BFGS: 125 16:18:29 12.068543 1.0045 BFGS: 126 16:18:29 11.906626 0.9945 BFGS: 127 16:18:29 11.746003 0.9845 BFGS: 128 16:18:29 11.586669 0.9746 BFGS: 129 16:18:29 11.428624 0.9648 BFGS: 130 16:18:29 11.271863 0.9550 BFGS: 131 16:18:29 11.116387 0.9452 BFGS: 132 16:18:29 10.962195 0.9355 BFGS: 133 16:18:29 10.809286 0.9259 BFGS: 134 16:18:29 10.657663 0.9163 BFGS: 135 16:18:29 10.507267 0.9079 BFGS: 136 16:18:29 10.357921 0.9001 BFGS: 137 16:18:29 10.209605 0.8922 BFGS: 138 16:18:29 10.062319 0.8844 BFGS: 139 16:18:29 9.916063 0.8766 BFGS: 140 16:18:29 9.770838 0.8689 BFGS: 141 16:18:29 9.626647 0.8612 BFGS: 142 16:18:29 9.483493 0.8536 BFGS: 143 16:18:29 9.341248 0.8460 BFGS: 144 16:18:29 9.199828 0.8384 BFGS: 145 16:18:29 9.059245 0.8308 BFGS: 146 16:18:29 8.919512 0.8233 BFGS: 147 16:18:29 8.780645 0.8158 BFGS: 148 16:18:29 8.642659 0.8084 BFGS: 149 16:18:29 8.505573 0.8009 BFGS: 150 16:18:29 8.369404 0.7935 BFGS: 151 16:18:29 8.234172 0.7861 BFGS: 152 16:18:29 8.099900 0.7788 BFGS: 153 16:18:29 7.966609 0.7714 BFGS: 154 16:18:29 7.834322 0.7641 BFGS: 155 16:18:29 7.703064 0.7568 BFGS: 156 16:18:29 7.572860 0.7495 BFGS: 157 16:18:29 7.443808 0.7423 BFGS: 158 16:18:29 7.315982 0.7350 BFGS: 159 16:18:29 7.189407 0.7278 BFGS: 160 16:18:29 7.064109 0.7205 BFGS: 161 16:18:29 6.940113 0.7133 BFGS: 162 16:18:29 6.817446 0.7061 BFGS: 163 16:18:29 6.696131 0.6989 BFGS: 164 16:18:29 6.576197 0.6918 BFGS: 165 16:18:29 6.457667 0.6846 BFGS: 166 16:18:29 6.340523 0.6774 BFGS: 167 16:18:29 6.224743 0.6702 BFGS: 168 16:18:29 6.110353 0.6630 BFGS: 169 16:18:29 5.997376 0.6559 BFGS: 170 16:18:29 5.885836 0.6487 BFGS: 171 16:18:29 5.775756 0.6415 BFGS: 172 16:18:29 5.667157 0.6343 BFGS: 173 16:18:29 5.560062 0.6270 BFGS: 174 16:18:29 5.454491 0.6198 BFGS: 175 16:18:29 5.350463 0.6126 BFGS: 176 16:18:29 5.247997 0.6053 BFGS: 177 16:18:29 5.147110 0.5981 BFGS: 178 16:18:29 5.047817 0.5908 BFGS: 179 16:18:29 4.950134 0.5836 BFGS: 180 16:18:29 4.854075 0.5763 BFGS: 181 16:18:29 4.759651 0.5690 BFGS: 182 16:18:29 4.666872 0.5617 BFGS: 183 16:18:29 4.575749 0.5544 BFGS: 184 16:18:29 4.486288 0.5472 BFGS: 185 16:18:29 4.398496 0.5399 BFGS: 186 16:18:29 4.312377 0.5327 BFGS: 187 16:18:29 4.227868 0.5266 BFGS: 188 16:18:29 4.144917 0.5205 BFGS: 189 16:18:29 4.063521 0.5144 BFGS: 190 16:18:29 3.983675 0.5083 BFGS: 191 16:18:29 3.905372 0.5022 BFGS: 192 16:18:29 3.828499 0.4963 BFGS: 193 16:18:29 3.752946 0.4904 BFGS: 194 16:18:29 3.678711 0.4845 BFGS: 195 16:18:29 3.605786 0.4785 BFGS: 196 16:18:29 3.534168 0.4726 BFGS: 197 16:18:29 3.463847 0.4667 BFGS: 198 16:18:29 3.394817 0.4608 BFGS: 199 16:18:29 3.327067 0.4548 BFGS: 200 16:18:29 3.260505 0.4495 BFGS: 201 16:18:29 3.194860 0.4448 BFGS: 202 16:18:29 3.130111 0.4400 BFGS: 203 16:18:29 3.066259 0.4353 BFGS: 204 16:18:29 3.003307 0.4306 BFGS: 205 16:18:29 2.941257 0.4259 BFGS: 206 16:18:29 2.880110 0.4211 BFGS: 207 16:18:29 2.819867 0.4164 BFGS: 208 16:18:29 2.760528 0.4117 BFGS: 209 16:18:29 2.702093 0.4070 BFGS: 210 16:18:29 2.644561 0.4023 BFGS: 211 16:18:29 2.587930 0.3976 BFGS: 212 16:18:29 2.532199 0.3929 BFGS: 213 16:18:29 2.477366 0.3882 BFGS: 214 16:18:29 2.423427 0.3835 BFGS: 215 16:18:29 2.370379 0.3788 BFGS: 216 16:18:29 2.318220 0.3742 BFGS: 217 16:18:29 2.266944 0.3695 BFGS: 218 16:18:29 2.216547 0.3648 BFGS: 219 16:18:29 2.167025 0.3602 BFGS: 220 16:18:29 2.118371 0.3555 BFGS: 221 16:18:29 2.070581 0.3509 BFGS: 222 16:18:29 2.023649 0.3463 BFGS: 223 16:18:29 1.977521 0.3417 BFGS: 224 16:18:29 1.932124 0.3371 BFGS: 225 16:18:29 1.887452 0.3325 BFGS: 226 16:18:29 1.843501 0.3279 BFGS: 227 16:18:29 1.800265 0.3234 BFGS: 228 16:18:29 1.757738 0.3188 BFGS: 229 16:18:29 1.715914 0.3143 BFGS: 230 16:18:29 1.674788 0.3098 BFGS: 231 16:18:29 1.634352 0.3052 BFGS: 232 16:18:29 1.594602 0.3007 BFGS: 233 16:18:29 1.555530 0.2962 BFGS: 234 16:18:29 1.517131 0.2917 BFGS: 235 16:18:29 1.479398 0.2873 BFGS: 236 16:18:29 1.442324 0.2828 BFGS: 237 16:18:29 1.405904 0.2784 BFGS: 238 16:18:29 1.370131 0.2739 BFGS: 239 16:18:30 1.334997 0.2695 BFGS: 240 16:18:30 1.300497 0.2651 BFGS: 241 16:18:30 1.266624 0.2607 BFGS: 242 16:18:30 1.233372 0.2563 BFGS: 243 16:18:30 1.200734 0.2519 BFGS: 244 16:18:30 1.168703 0.2475 BFGS: 245 16:18:30 1.137274 0.2431 BFGS: 246 16:18:30 1.106439 0.2388 BFGS: 247 16:18:30 1.076192 0.2344 BFGS: 248 16:18:30 1.046526 0.2323 BFGS: 249 16:18:30 1.017436 0.2327 BFGS: 250 16:18:30 0.988914 0.2331 BFGS: 251 16:18:30 0.960956 0.2333 BFGS: 252 16:18:30 0.933553 0.2335 BFGS: 253 16:18:30 0.906701 0.2336 BFGS: 254 16:18:30 0.880392 0.2336 BFGS: 255 16:18:30 0.854621 0.2335 BFGS: 256 16:18:30 0.829382 0.2333 BFGS: 257 16:18:30 0.804668 0.2331 BFGS: 258 16:18:30 0.780474 0.2327 BFGS: 259 16:18:30 0.756791 0.2313 BFGS: 260 16:18:30 0.733604 0.2283 BFGS: 261 16:18:30 0.710925 0.2254 BFGS: 262 16:18:30 0.688751 0.2224 BFGS: 263 16:18:30 0.667075 0.2193 BFGS: 264 16:18:30 0.645892 0.2163 BFGS: 265 16:18:30 0.625197 0.2132 BFGS: 266 16:18:30 0.604985 0.2101 BFGS: 267 16:18:30 0.585250 0.2070 BFGS: 268 16:18:30 0.565988 0.2039 BFGS: 269 16:18:30 0.547192 0.2007 BFGS: 270 16:18:30 0.528859 0.1975 BFGS: 271 16:18:30 0.510982 0.1943 BFGS: 272 16:18:30 0.493556 0.1911 BFGS: 273 16:18:30 0.476575 0.1878 BFGS: 274 16:18:30 0.460035 0.1846 BFGS: 275 16:18:30 0.443929 0.1813 BFGS: 276 16:18:30 0.428252 0.1780 BFGS: 277 16:18:30 0.412974 0.1753 BFGS: 278 16:18:30 0.398062 0.1732 BFGS: 279 16:18:30 0.383525 0.1709 BFGS: 280 16:18:30 0.369361 0.1686 BFGS: 281 16:18:30 0.355567 0.1662 BFGS: 282 16:18:30 0.342143 0.1657 BFGS: 283 16:18:30 0.329084 0.1669 BFGS: 284 16:18:30 0.316389 0.1681 BFGS: 285 16:18:30 0.304056 0.1691 BFGS: 286 16:18:30 0.292079 0.1698 BFGS: 287 16:18:30 0.280381 0.1679 BFGS: 288 16:18:30 0.269011 0.1660 BFGS: 289 16:18:30 0.257968 0.1641 BFGS: 290 16:18:30 0.247249 0.1621 BFGS: 291 16:18:30 0.236852 0.1601 BFGS: 292 16:18:30 0.226774 0.1581 BFGS: 293 16:18:30 0.217014 0.1561 BFGS: 294 16:18:30 0.207568 0.1540 BFGS: 295 16:18:30 0.198434 0.1518 BFGS: 296 16:18:30 0.189610 0.1497 BFGS: 297 16:18:30 0.181103 0.1474 BFGS: 298 16:18:30 0.172914 0.1452 BFGS: 299 16:18:30 0.165038 0.1429 BFGS: 300 16:18:30 0.157470 0.1405 BFGS: 301 16:18:30 0.150207 0.1382 BFGS: 302 16:18:30 0.143243 0.1357 BFGS: 303 16:18:30 0.136573 0.1332 BFGS: 304 16:18:30 0.130191 0.1307 BFGS: 305 16:18:30 0.124084 0.1281 BFGS: 306 16:18:30 0.118214 0.1255 BFGS: 307 16:18:30 0.112587 0.1229 BFGS: 308 16:18:30 0.107201 0.1202 BFGS: 309 16:18:30 0.102052 0.1175 BFGS: 310 16:18:30 0.097139 0.1148 BFGS: 311 16:18:30 0.092456 0.1120 BFGS: 312 16:18:30 0.088001 0.1092 BFGS: 313 16:18:30 0.083769 0.1064 BFGS: 314 16:18:30 0.079750 0.1043 BFGS: 315 16:18:30 0.075925 0.1024 BFGS: 316 16:18:30 0.072284 0.1005 BFGS: 317 16:18:30 0.068750 0.0986 BFGS: 318 16:18:30 0.065323 0.0966 BFGS: 319 16:18:30 0.062004 0.0946 BFGS: 320 16:18:30 0.058791 0.0926 BFGS: 321 16:18:30 0.055684 0.0905 BFGS: 322 16:18:30 0.052683 0.0885 BFGS: 323 16:18:30 0.049788 0.0864 BFGS: 324 16:18:30 0.046997 0.0843 BFGS: 325 16:18:30 0.044311 0.0821 BFGS: 326 16:18:30 0.041728 0.0800 BFGS: 327 16:18:30 0.039249 0.0778 BFGS: 328 16:18:30 0.036872 0.0756 BFGS: 329 16:18:30 0.034597 0.0733 BFGS: 330 16:18:30 0.032423 0.0710 BFGS: 331 16:18:30 0.030349 0.0687 BFGS: 332 16:18:30 0.028375 0.0664 BFGS: 333 16:18:30 0.026500 0.0640 BFGS: 334 16:18:30 0.024723 0.0616 BFGS: 335 16:18:30 0.023042 0.0591 BFGS: 336 16:18:30 0.021457 0.0566 BFGS: 337 16:18:30 0.019959 0.0541 BFGS: 338 16:18:30 0.018523 0.0515 BFGS: 339 16:18:30 0.017154 0.0489 BFGS: 340 16:18:30 0.015854 0.0463 BFGS: 341 16:18:30 0.014620 0.0439 BFGS: 342 16:18:30 0.013454 0.0441 BFGS: 343 16:18:30 0.012351 0.0443 BFGS: 344 16:18:30 0.011311 0.0444 BFGS: 345 16:18:30 0.010334 0.0445 BFGS: 346 16:18:30 0.009421 0.0445 BFGS: 347 16:18:30 0.008570 0.0444 BFGS: 348 16:18:30 0.007783 0.0443 BFGS: 349 16:18:30 0.007057 0.0441 BFGS: 350 16:18:30 0.006393 0.0439 BFGS: 351 16:18:30 0.005789 0.0436 BFGS: 352 16:18:30 0.005246 0.0431 BFGS: 353 16:18:30 0.004761 0.0426 BFGS: 354 16:18:30 0.004333 0.0419 BFGS: 355 16:18:30 0.003959 0.0411 BFGS: 356 16:18:30 0.003637 0.0401 BFGS: 357 16:18:30 0.003360 0.0389 BFGS: 358 16:18:30 0.003090 0.0373 BFGS: 359 16:18:30 0.002822 0.0356 BFGS: 360 16:18:30 0.002567 0.0340 BFGS: 361 16:18:30 0.002323 0.0323 BFGS: 362 16:18:30 0.002091 0.0307 BFGS: 363 16:18:30 0.001871 0.0290 BFGS: 364 16:18:30 0.001663 0.0273 BFGS: 365 16:18:30 0.001467 0.0257 BFGS: 366 16:18:30 0.001284 0.0240 BFGS: 367 16:18:30 0.001112 0.0223 BFGS: 368 16:18:30 0.000952 0.0207 BFGS: 369 16:18:30 0.000804 0.0190 BFGS: 370 16:18:30 0.000669 0.0173 BFGS: 371 16:18:30 0.000545 0.0156 BFGS: 372 16:18:30 0.000434 0.0140 BFGS: 373 16:18:30 0.000336 0.0123 BFGS: 374 16:18:30 0.000250 0.0106 BFGS: 375 16:18:30 0.000176 0.0089 BFGS: 376 16:18:30 0.000115 0.0072 BFGS: 377 16:18:30 0.000067 0.0055 BFGS: 378 16:18:30 0.000032 0.0038 BFGS: 379 16:18:30 0.000009 0.0020 BFGS: 380 16:18:30 0.000000 0.0003 BFGS: 381 16:18:30 0.000000 0.0000 Minimization converged after 381 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 0.0 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'] basis = [[5.92436694e-02 5.92181587e-33 6.34658680e-01] [9.40756331e-01 1.48045397e-33 3.65341320e-01] [5.59243669e-01 5.00000000e-01 6.34658680e-01] [4.40756331e-01 5.00000000e-01 3.65341320e-01] [3.71343827e-01 2.07263556e-32 7.55463745e-01] [6.28656173e-01 0.00000000e+00 2.44536255e-01] [8.71343827e-01 5.00000000e-01 7.55463745e-01] [1.28656173e-01 5.00000000e-01 2.44536255e-01] [8.18024934e-01 0.00000000e+00 3.62294190e-02] [1.81975066e-01 3.84918032e-32 9.63770581e-01] [3.18024934e-01 5.00000000e-01 3.62294190e-02] [6.81975066e-01 5.00000000e-01 9.63770581e-01] [2.87467882e-01 4.29331651e-32 3.15652877e-01] [7.12532118e-01 3.84918032e-32 6.84347123e-01] [7.87467882e-01 5.00000000e-01 3.15652877e-01] [2.12532118e-01 5.00000000e-01 6.84347123e-01]] cellpar = Cell([[30.071499501190406, 1.753408107118405e-17, 0.3738212053219007], [4.873924335503025e-18, 8.325791890736358, 1.0917258766728359e-16], [1.8057603399376723, 1.804054457587738e-16, 13.655202534627836]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [0. 0. 0. 0. 0. 0.] energy per atom = 0.0 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0