element(s): ['C'] AFLOW prototype label: A_cF240_202_h2i Parameter names: ['a', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['14.9028', '0.54695135', '0.26622863', '0.59565647', '0.79644753', '0.57883118', '0.67452263', '0.34523288', '0.048719901'] model name: MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C', 'C'] representative atom coordinates = [[0. 0.04695135 0.76622863] [0.59565647 0.79644753 0.57883118] [0.67452263 0.34523288 0.0487199 ]] spacegroup = 202 cell = [[14.9028, 0, 0], [0, 14.9028, 0], [0, 0, 14.9028]] ========================================= Step Time Energy fmax BFGS: 0 17:35:13 -1629.764945 1.683122 BFGS: 1 17:35:14 -1633.772192 0.394440 BFGS: 2 17:35:16 -1633.976311 0.196221 BFGS: 3 17:35:18 -1634.082931 0.164542 BFGS: 4 17:35:20 -1634.219516 0.240381 BFGS: 5 17:35:22 -1634.264652 0.108734 BFGS: 6 17:35:23 -1634.277149 0.086529 BFGS: 7 17:35:24 -1634.279670 0.087328 BFGS: 8 17:35:26 -1634.280795 0.088574 BFGS: 9 17:35:27 -1634.281802 0.090043 BFGS: 10 17:35:28 -1634.282796 0.091024 BFGS: 11 17:35:30 -1634.285509 0.092636 BFGS: 12 17:35:31 -1634.292167 0.095047 BFGS: 13 17:35:32 -1634.300472 0.099461 BFGS: 14 17:35:34 -1634.309679 0.115728 BFGS: 15 17:35:35 -1634.319586 0.127783 BFGS: 16 17:35:36 -1634.330004 0.137330 BFGS: 17 17:35:38 -1634.340803 0.145232 BFGS: 18 17:35:40 -1634.351895 0.151986 BFGS: 19 17:35:41 -1634.363220 0.157897 BFGS: 20 17:35:42 -1634.374731 0.163168 BFGS: 21 17:35:42 -1634.386397 0.167941 BFGS: 22 17:35:44 -1634.398193 0.172315 BFGS: 23 17:35:45 -1634.410097 0.176367 BFGS: 24 17:35:47 -1634.422095 0.180153 BFGS: 25 17:35:49 -1634.434173 0.183721 BFGS: 26 17:35:51 -1634.446320 0.187104 BFGS: 27 17:35:53 -1634.458528 0.190335 BFGS: 28 17:35:55 -1634.470787 0.193435 BFGS: 29 17:35:57 -1634.483091 0.196428 BFGS: 30 17:35:58 -1634.495433 0.199330 BFGS: 31 17:36:01 -1634.507807 0.202157 BFGS: 32 17:36:03 -1634.520208 0.204923 BFGS: 33 17:36:05 -1634.532631 0.207641 BFGS: 34 17:36:07 -1634.545069 0.210323 BFGS: 35 17:36:08 -1634.557519 0.212981 BFGS: 36 17:36:10 -1634.569972 0.215627 BFGS: 37 17:36:11 -1634.582382 0.218345 BFGS: 38 17:36:13 -1634.594684 0.221260 BFGS: 39 17:36:16 -1634.606784 0.224510 BFGS: 40 17:36:18 -1634.618541 0.228320 BFGS: 41 17:36:19 -1634.629708 0.233042 BFGS: 42 17:36:21 -1634.639906 0.239042 BFGS: 43 17:36:23 -1634.653023 0.237243 BFGS: 44 17:36:24 -1634.665184 0.238749 BFGS: 45 17:36:27 -1634.677519 0.240040 BFGS: 46 17:36:29 -1634.689984 0.241226 BFGS: 47 17:36:31 -1634.702548 0.242331 BFGS: 48 17:36:33 -1634.715187 0.243378 BFGS: 49 17:36:34 -1634.727883 0.244383 BFGS: 50 17:36:36 -1634.740623 0.245356 BFGS: 51 17:36:39 -1634.753391 0.246309 BFGS: 52 17:36:41 -1634.766177 0.247250 BFGS: 53 17:36:43 -1634.778967 0.248186 BFGS: 54 17:36:45 -1634.791772 0.249110 BFGS: 55 17:36:46 -1634.804599 0.250013 BFGS: 56 17:36:48 -1634.817457 0.250892 BFGS: 57 17:36:50 -1634.830352 0.251741 BFGS: 58 17:36:51 -1634.843291 0.252557 BFGS: 59 17:36:53 -1634.856279 0.253337 BFGS: 60 17:36:54 -1634.869322 0.254078 BFGS: 61 17:36:55 -1634.882423 0.254778 BFGS: 62 17:36:57 -1634.895586 0.255437 BFGS: 63 17:36:59 -1634.908813 0.256054 BFGS: 64 17:37:00 -1634.922107 0.256627 BFGS: 65 17:37:02 -1634.935468 0.257159 BFGS: 66 17:37:04 -1634.948898 0.257649 BFGS: 67 17:37:07 -1634.962396 0.258098 BFGS: 68 17:37:09 -1634.975963 0.258507 BFGS: 69 17:37:10 -1634.989598 0.258877 BFGS: 70 17:37:11 -1635.003299 0.259210 BFGS: 71 17:37:12 -1635.017067 0.259508 BFGS: 72 17:37:13 -1635.030898 0.259771 BFGS: 73 17:37:15 -1635.044792 0.260002 BFGS: 74 17:37:16 -1635.058747 0.260201 BFGS: 75 17:37:18 -1635.072761 0.260372 BFGS: 76 17:37:19 -1635.086833 0.260514 BFGS: 77 17:37:21 -1635.100960 0.260629 BFGS: 78 17:37:23 -1635.115140 0.260720 BFGS: 79 17:37:24 -1635.129372 0.260788 BFGS: 80 17:37:25 -1635.143655 0.260833 BFGS: 81 17:37:26 -1635.157985 0.260857 BFGS: 82 17:37:28 -1635.172361 0.260862 BFGS: 83 17:37:29 -1635.186782 0.260848 BFGS: 84 17:37:30 -1635.201246 0.260817 BFGS: 85 17:37:32 -1635.215752 0.260770 BFGS: 86 17:37:33 -1635.230297 0.260708 BFGS: 87 17:37:34 -1635.244881 0.260631 BFGS: 88 17:37:36 -1635.259502 0.260542 BFGS: 89 17:37:38 -1635.274159 0.260439 BFGS: 90 17:37:39 -1635.288850 0.260325 BFGS: 91 17:37:41 -1635.303574 0.260201 BFGS: 92 17:37:42 -1635.318331 0.260066 BFGS: 93 17:37:43 -1635.333118 0.259921 BFGS: 94 17:37:45 -1635.347936 0.259768 BFGS: 95 17:37:47 -1635.362783 0.259607 BFGS: 96 17:37:48 -1635.377658 0.259438 BFGS: 97 17:37:49 -1635.392560 0.259261 BFGS: 98 17:37:51 -1635.407489 0.259078 BFGS: 99 17:37:53 -1635.422444 0.258889 BFGS: 100 17:37:55 -1635.437423 0.258694 BFGS: 101 17:37:57 -1635.452427 0.258494 BFGS: 102 17:37:58 -1635.467455 0.258289 BFGS: 103 17:37:59 -1635.482505 0.258079 BFGS: 104 17:38:01 -1635.497578 0.257865 BFGS: 105 17:38:02 -1635.512673 0.257647 BFGS: 106 17:38:03 -1635.527790 0.257425 BFGS: 107 17:38:05 -1635.542927 0.257200 BFGS: 108 17:38:07 -1635.558085 0.256972 BFGS: 109 17:38:09 -1635.573263 0.256741 BFGS: 110 17:38:12 -1635.588460 0.256507 BFGS: 111 17:38:13 -1635.603677 0.256271 BFGS: 112 17:38:15 -1635.618912 0.256033 BFGS: 113 17:38:16 -1635.634167 0.255793 BFGS: 114 17:38:18 -1635.649439 0.255551 BFGS: 115 17:38:19 -1635.664729 0.255307 BFGS: 116 17:38:20 -1635.680037 0.255062 BFGS: 117 17:38:22 -1635.695362 0.254815 BFGS: 118 17:38:24 -1635.710704 0.254568 BFGS: 119 17:38:26 -1635.726064 0.254319 BFGS: 120 17:38:27 -1635.741439 0.254069 BFGS: 121 17:38:29 -1635.756831 0.253818 BFGS: 122 17:38:30 -1635.772240 0.253567 BFGS: 123 17:38:31 -1635.787664 0.253315 BFGS: 124 17:38:33 -1635.803104 0.253063 BFGS: 125 17:38:35 -1635.818560 0.252810 BFGS: 126 17:38:36 -1635.834031 0.252556 BFGS: 127 17:38:38 -1635.849517 0.252303 BFGS: 128 17:38:39 -1635.865019 0.252049 BFGS: 129 17:38:41 -1635.880535 0.251795 BFGS: 130 17:38:43 -1635.896067 0.251541 BFGS: 131 17:38:44 -1635.911613 0.251287 BFGS: 132 17:38:46 -1635.927174 0.251033 BFGS: 133 17:38:48 -1635.942749 0.250779 BFGS: 134 17:38:49 -1635.958339 0.250525 BFGS: 135 17:38:51 -1635.973943 0.250272 BFGS: 136 17:38:52 -1635.989561 0.250018 BFGS: 137 17:38:54 -1636.005194 0.249765 BFGS: 138 17:38:55 -1636.020840 0.249512 BFGS: 139 17:38:56 -1636.036500 0.249260 BFGS: 140 17:38:58 -1636.052175 0.249008 BFGS: 141 17:39:00 -1636.067863 0.248756 BFGS: 142 17:39:02 -1636.083564 0.248505 BFGS: 143 17:39:04 -1636.099280 0.248254 BFGS: 144 17:39:05 -1636.115008 0.248003 BFGS: 145 17:39:07 -1636.130751 0.247754 BFGS: 146 17:39:08 -1636.146507 0.247504 BFGS: 147 17:39:10 -1636.162276 0.247255 BFGS: 148 17:39:11 -1636.178058 0.247007 BFGS: 149 17:39:13 -1636.193854 0.246760 BFGS: 150 17:39:15 -1636.209663 0.246512 BFGS: 151 17:39:16 -1636.225486 0.246266 BFGS: 152 17:39:17 -1636.241321 0.246020 BFGS: 153 17:39:19 -1636.257169 0.245775 BFGS: 154 17:39:22 -1636.273031 0.245530 BFGS: 155 17:39:23 -1636.288905 0.245286 BFGS: 156 17:39:24 -1636.304793 0.245043 BFGS: 157 17:39:26 -1636.320693 0.244800 BFGS: 158 17:39:28 -1636.336607 0.244558 BFGS: 159 17:39:30 -1636.352533 0.244317 BFGS: 160 17:39:32 -1636.368472 0.244076 BFGS: 161 17:39:33 -1636.384424 0.243837 BFGS: 162 17:39:36 -1636.400388 0.243597 BFGS: 163 17:39:37 -1636.416366 0.243359 BFGS: 164 17:39:39 -1636.432356 0.243121 BFGS: 165 17:39:41 -1636.448359 0.242884 BFGS: 166 17:39:43 -1636.464374 0.242647 BFGS: 167 17:39:45 -1636.480402 0.242411 BFGS: 168 17:39:46 -1636.496443 0.242176 BFGS: 169 17:39:48 -1636.512496 0.241942 BFGS: 170 17:39:50 -1636.528562 0.241708 BFGS: 171 17:39:51 -1636.544640 0.241475 BFGS: 172 17:39:54 -1636.560731 0.241243 BFGS: 173 17:39:56 -1636.576835 0.241011 BFGS: 174 17:39:58 -1636.592950 0.240780 BFGS: 175 17:40:00 -1636.609079 0.240550 BFGS: 176 17:40:02 -1636.625220 0.240321 BFGS: 177 17:40:04 -1636.641373 0.240092 BFGS: 178 17:40:05 -1636.657539 0.239864 BFGS: 179 17:40:07 -1636.673717 0.239636 BFGS: 180 17:40:08 -1636.689908 0.239409 BFGS: 181 17:40:10 -1636.706111 0.239183 BFGS: 182 17:40:12 -1636.722326 0.238958 BFGS: 183 17:40:13 -1636.738554 0.238733 BFGS: 184 17:40:15 -1636.754794 0.238509 BFGS: 185 17:40:17 -1636.771046 0.238286 BFGS: 186 17:40:19 -1636.787311 0.238063 BFGS: 187 17:40:20 -1636.803588 0.237841 BFGS: 188 17:40:22 -1636.819878 0.237619 BFGS: 189 17:40:23 -1636.836179 0.237398 BFGS: 190 17:40:25 -1636.852493 0.237178 BFGS: 191 17:40:27 -1636.868820 0.236959 BFGS: 192 17:40:28 -1636.885159 0.236740 BFGS: 193 17:40:29 -1636.901510 0.236521 BFGS: 194 17:40:30 -1636.917873 0.236304 BFGS: 195 17:40:32 -1636.934248 0.236086 BFGS: 196 17:40:33 -1636.950636 0.235870 BFGS: 197 17:40:35 -1636.967036 0.235654 BFGS: 198 17:40:36 -1636.983449 0.235439 BFGS: 199 17:40:38 -1636.999874 0.235224 BFGS: 200 17:40:40 -1637.016311 0.235010 BFGS: 201 17:40:42 -1637.032760 0.234796 BFGS: 202 17:40:44 -1637.049221 0.234583 BFGS: 203 17:40:47 -1637.065695 0.234371 BFGS: 204 17:40:49 -1637.082181 0.234159 BFGS: 205 17:40:51 -1637.098680 0.233948 BFGS: 206 17:40:53 -1637.115191 0.233737 BFGS: 207 17:40:56 -1637.131714 0.233527 BFGS: 208 17:40:58 -1637.148249 0.233317 BFGS: 209 17:40:59 -1637.164797 0.233108 BFGS: 210 17:41:01 -1637.181357 0.232899 BFGS: 211 17:41:03 -1637.197929 0.232691 BFGS: 212 17:41:05 -1637.214514 0.232483 BFGS: 213 17:41:06 -1637.231111 0.232276 BFGS: 214 17:41:08 -1637.247720 0.232069 BFGS: 215 17:41:09 -1637.264342 0.231863 BFGS: 216 17:41:12 -1637.280976 0.231657 BFGS: 217 17:41:15 -1637.297622 0.231452 BFGS: 218 17:41:16 -1637.314281 0.231247 BFGS: 219 17:41:18 -1637.330952 0.231043 BFGS: 220 17:41:20 -1637.347636 0.230839 BFGS: 221 17:41:22 -1637.364332 0.230635 BFGS: 222 17:41:24 -1637.381040 0.230432 BFGS: 223 17:41:26 -1637.397761 0.230229 BFGS: 224 17:41:27 -1637.414495 0.230027 BFGS: 225 17:41:29 -1637.431241 0.229825 BFGS: 226 17:41:30 -1637.447999 0.229624 BFGS: 227 17:41:32 -1637.464770 0.229423 BFGS: 228 17:41:34 -1637.481554 0.229222 BFGS: 229 17:41:36 -1637.498350 0.229022 BFGS: 230 17:41:38 -1637.515158 0.228822 BFGS: 231 17:41:39 -1637.531980 0.228622 BFGS: 232 17:41:41 -1637.548814 0.228423 BFGS: 233 17:41:43 -1637.565660 0.228224 BFGS: 234 17:41:44 -1637.582519 0.228026 BFGS: 235 17:41:47 -1637.599391 0.227828 BFGS: 236 17:41:48 -1637.616276 0.227630 BFGS: 237 17:41:49 -1637.633173 0.227432 BFGS: 238 17:41:51 -1637.650084 0.227235 BFGS: 239 17:41:53 -1637.667006 0.227038 BFGS: 240 17:41:55 -1637.683942 0.226841 BFGS: 241 17:41:56 -1637.700891 0.226645 BFGS: 242 17:41:57 -1637.717852 0.226449 BFGS: 243 17:41:58 -1637.734827 0.226253 BFGS: 244 17:42:00 -1637.751814 0.226057 BFGS: 245 17:42:01 -1637.768815 0.225862 BFGS: 246 17:42:02 -1637.785828 0.225666 BFGS: 247 17:42:04 -1637.802855 0.225472 BFGS: 248 17:42:05 -1637.819894 0.225277 BFGS: 249 17:42:07 -1637.836947 0.225082 BFGS: 250 17:42:09 -1637.854013 0.224888 BFGS: 251 17:42:11 -1637.871092 0.224694 BFGS: 252 17:42:13 -1637.888184 0.224500 BFGS: 253 17:42:14 -1637.905289 0.224306 BFGS: 254 17:42:16 -1637.922408 0.224113 BFGS: 255 17:42:18 -1637.939540 0.223919 BFGS: 256 17:42:20 -1637.956686 0.223726 BFGS: 257 17:42:21 -1637.973845 0.223533 BFGS: 258 17:42:23 -1637.991018 0.223340 BFGS: 259 17:42:24 -1638.008204 0.223147 BFGS: 260 17:42:26 -1638.025403 0.222955 BFGS: 261 17:42:28 -1638.042616 0.222762 BFGS: 262 17:42:29 -1638.059843 0.222570 BFGS: 263 17:42:31 -1638.077084 0.222377 BFGS: 264 17:42:33 -1638.094338 0.222185 BFGS: 265 17:42:34 -1638.111607 0.221993 BFGS: 266 17:42:35 -1638.128889 0.221800 BFGS: 267 17:42:37 -1638.146185 0.221608 BFGS: 268 17:42:38 -1638.163495 0.221416 BFGS: 269 17:42:40 -1638.180819 0.221224 BFGS: 270 17:42:42 -1638.198157 0.221032 BFGS: 271 17:42:43 -1638.215509 0.220841 BFGS: 272 17:42:46 -1638.232876 0.220649 BFGS: 273 17:42:47 -1638.250256 0.220457 BFGS: 274 17:42:49 -1638.267651 0.220265 BFGS: 275 17:42:50 -1638.285061 0.220073 BFGS: 276 17:42:51 -1638.302485 0.219881 BFGS: 277 17:42:53 -1638.319923 0.219689 BFGS: 278 17:42:54 -1638.337376 0.219497 BFGS: 279 17:42:55 -1638.354844 0.219305 BFGS: 280 17:42:57 -1638.372326 0.219113 BFGS: 281 17:42:59 -1638.389823 0.218921 BFGS: 282 17:43:00 -1638.407335 0.218729 BFGS: 283 17:43:01 -1638.424862 0.218537 BFGS: 284 17:43:02 -1638.442404 0.218345 BFGS: 285 17:43:04 -1638.459961 0.218152 BFGS: 286 17:43:06 -1638.477533 0.217960 BFGS: 287 17:43:07 -1638.495120 0.217767 BFGS: 288 17:43:08 -1638.512722 0.217575 BFGS: 289 17:43:10 -1638.530340 0.217382 BFGS: 290 17:43:11 -1638.547973 0.217189 BFGS: 291 17:43:12 -1638.565622 0.216996 BFGS: 292 17:43:13 -1638.583287 0.216803 BFGS: 293 17:43:15 -1638.600967 0.216609 BFGS: 294 17:43:17 -1638.618663 0.216416 BFGS: 295 17:43:19 -1638.636374 0.216222 BFGS: 296 17:43:21 -1638.654102 0.216029 BFGS: 297 17:43:24 -1638.671846 0.215835 BFGS: 298 17:43:25 -1638.689605 0.215640 BFGS: 299 17:43:26 -1638.707381 0.215446 BFGS: 300 17:43:28 -1638.725173 0.215252 BFGS: 301 17:43:29 -1638.742982 0.215057 BFGS: 302 17:43:32 -1638.760807 0.214862 BFGS: 303 17:43:33 -1638.778648 0.214667 BFGS: 304 17:43:36 -1638.796507 0.214471 BFGS: 305 17:43:38 -1638.814381 0.214276 BFGS: 306 17:43:39 -1638.832273 0.214080 BFGS: 307 17:43:40 -1638.850182 0.213884 BFGS: 308 17:43:42 -1638.868108 0.213687 BFGS: 309 17:43:43 -1638.886051 0.213491 BFGS: 310 17:43:45 -1638.904011 0.213294 BFGS: 311 17:43:46 -1638.921988 0.213097 BFGS: 312 17:43:47 -1638.939983 0.212899 BFGS: 313 17:43:48 -1638.957995 0.212702 BFGS: 314 17:43:49 -1638.976026 0.212504 BFGS: 315 17:43:50 -1638.994073 0.212305 BFGS: 316 17:43:51 -1639.012139 0.212107 BFGS: 317 17:43:52 -1639.030223 0.211908 BFGS: 318 17:43:53 -1639.048325 0.211709 BFGS: 319 17:43:55 -1639.066444 0.211509 BFGS: 320 17:43:56 -1639.084583 0.211310 BFGS: 321 17:43:57 -1639.102739 0.211109 BFGS: 322 17:43:58 -1639.120915 0.210909 BFGS: 323 17:43:59 -1639.139109 0.210708 BFGS: 324 17:44:00 -1639.157321 0.210507 BFGS: 325 17:44:02 -1639.175553 0.210306 BFGS: 326 17:44:03 -1639.193804 0.210104 BFGS: 327 17:44:05 -1639.212073 0.209902 BFGS: 328 17:44:06 -1639.230362 0.209699 BFGS: 329 17:44:07 -1639.248671 0.209496 BFGS: 330 17:44:08 -1639.266999 0.209293 BFGS: 331 17:44:09 -1639.285346 0.209090 BFGS: 332 17:44:11 -1639.303714 0.208886 BFGS: 333 17:44:12 -1639.322101 0.208681 BFGS: 334 17:44:14 -1639.340508 0.208477 BFGS: 335 17:44:14 -1639.358936 0.208272 BFGS: 336 17:44:16 -1639.377383 0.208066 BFGS: 337 17:44:17 -1639.395851 0.207860 BFGS: 338 17:44:18 -1639.414340 0.207654 BFGS: 339 17:44:20 -1639.432850 0.207448 BFGS: 340 17:44:21 -1639.451380 0.207241 BFGS: 341 17:44:23 -1639.469931 0.207033 BFGS: 342 17:44:24 -1639.488503 0.206826 BFGS: 343 17:44:25 -1639.507097 0.206618 BFGS: 344 17:44:27 -1639.525712 0.206409 BFGS: 345 17:44:28 -1639.544348 0.206200 BFGS: 346 17:44:29 -1639.563006 0.205991 BFGS: 347 17:44:30 -1639.581686 0.205781 BFGS: 348 17:44:31 -1639.600388 0.205571 BFGS: 349 17:44:32 -1639.619112 0.205361 BFGS: 350 17:44:34 -1639.637859 0.205150 BFGS: 351 17:44:35 -1639.656627 0.204939 BFGS: 352 17:44:36 -1639.675419 0.204727 BFGS: 353 17:44:38 -1639.694233 0.204515 BFGS: 354 17:44:40 -1639.713069 0.204303 BFGS: 355 17:44:41 -1639.731929 0.204091 BFGS: 356 17:44:43 -1639.750812 0.203878 BFGS: 357 17:44:44 -1639.769719 0.203664 BFGS: 358 17:44:45 -1639.788648 0.203450 BFGS: 359 17:44:46 -1639.807602 0.203236 BFGS: 360 17:44:48 -1639.826579 0.203022 BFGS: 361 17:44:49 -1639.845580 0.202807 BFGS: 362 17:44:51 -1639.864605 0.202592 BFGS: 363 17:44:53 -1639.883655 0.202376 BFGS: 364 17:44:55 -1639.902729 0.202161 BFGS: 365 17:44:57 -1639.921827 0.201944 BFGS: 366 17:44:58 -1639.940950 0.201728 BFGS: 367 17:44:59 -1639.960098 0.201511 BFGS: 368 17:45:01 -1639.979271 0.201294 BFGS: 369 17:45:02 -1639.998470 0.201077 BFGS: 370 17:45:03 -1640.017693 0.200859 BFGS: 371 17:45:04 -1640.036943 0.200641 BFGS: 372 17:45:06 -1640.056217 0.200423 BFGS: 373 17:45:07 -1640.075518 0.200204 BFGS: 374 17:45:09 -1640.094845 0.199986 BFGS: 375 17:45:10 -1640.114198 0.199767 BFGS: 376 17:45:11 -1640.133578 0.199547 BFGS: 377 17:45:12 -1640.152984 0.199328 BFGS: 378 17:45:13 -1640.172416 0.199108 BFGS: 379 17:45:15 -1640.191876 0.198889 BFGS: 380 17:45:17 -1640.211362 0.198669 BFGS: 381 17:45:18 -1640.230876 0.198448 BFGS: 382 17:45:20 -1640.250417 0.198228 BFGS: 383 17:45:22 -1640.269986 0.198008 BFGS: 384 17:45:23 -1640.289582 0.197787 BFGS: 385 17:45:25 -1640.309206 0.197566 BFGS: 386 17:45:26 -1640.328858 0.197345 BFGS: 387 17:45:27 -1640.348539 0.197124 BFGS: 388 17:45:28 -1640.368247 0.196903 BFGS: 389 17:45:31 -1640.387985 0.196682 BFGS: 390 17:45:32 -1640.407751 0.196461 BFGS: 391 17:45:34 -1640.427545 0.196240 BFGS: 392 17:45:36 -1640.447369 0.196019 BFGS: 393 17:45:37 -1640.467222 0.195798 BFGS: 394 17:45:39 -1640.487105 0.195577 BFGS: 395 17:45:40 -1640.507016 0.195356 BFGS: 396 17:45:41 -1640.526958 0.195135 BFGS: 397 17:45:43 -1640.546929 0.194915 BFGS: 398 17:45:45 -1640.566931 0.194694 BFGS: 399 17:45:46 -1640.586962 0.194474 BFGS: 400 17:45:48 -1640.607024 0.194253 BFGS: 401 17:45:50 -1640.627116 0.194033 BFGS: 402 17:45:51 -1640.647239 0.193814 BFGS: 403 17:45:52 -1640.667393 0.193594 BFGS: 404 17:45:53 -1640.687577 0.193375 BFGS: 405 17:45:55 -1640.707793 0.193156 BFGS: 406 17:45:57 -1640.728040 0.192937 BFGS: 407 17:45:58 -1640.748318 0.192719 BFGS: 408 17:45:59 -1640.768628 0.192501 BFGS: 409 17:46:01 -1640.788969 0.192284 BFGS: 410 17:46:02 -1640.809342 0.192067 BFGS: 411 17:46:04 -1640.829748 0.191851 BFGS: 412 17:46:05 -1640.850185 0.191635 BFGS: 413 17:46:07 -1640.870654 0.191419 BFGS: 414 17:46:08 -1640.891156 0.191205 BFGS: 415 17:46:09 -1640.911691 0.190990 BFGS: 416 17:46:11 -1640.932258 0.190777 BFGS: 417 17:46:12 -1640.952857 0.190564 BFGS: 418 17:46:13 -1640.973490 0.190352 BFGS: 419 17:46:15 -1640.994156 0.190141 BFGS: 420 17:46:16 -1641.014854 0.189931 BFGS: 421 17:46:18 -1641.035586 0.189721 BFGS: 422 17:46:19 -1641.056352 0.189513 BFGS: 423 17:46:19 -1641.077150 0.189305 BFGS: 424 17:46:20 -1641.097983 0.189098 BFGS: 425 17:46:21 -1641.118848 0.188893 BFGS: 426 17:46:22 -1641.139748 0.188688 BFGS: 427 17:46:24 -1641.160682 0.188485 BFGS: 428 17:46:25 -1641.181649 0.188283 BFGS: 429 17:46:27 -1641.202650 0.188082 BFGS: 430 17:46:28 -1641.223686 0.187882 BFGS: 431 17:46:30 -1641.244756 0.187684 BFGS: 432 17:46:32 -1641.265859 0.187487 BFGS: 433 17:46:33 -1641.286998 0.187291 BFGS: 434 17:46:34 -1641.308170 0.187097 BFGS: 435 17:46:36 -1641.329377 0.186905 BFGS: 436 17:46:37 -1641.350618 0.186714 BFGS: 437 17:46:39 -1641.371894 0.186525 BFGS: 438 17:46:40 -1641.393204 0.186337 BFGS: 439 17:46:41 -1641.414549 0.186152 BFGS: 440 17:46:42 -1641.435928 0.185968 BFGS: 441 17:46:44 -1641.457342 0.185786 BFGS: 442 17:46:46 -1641.478791 0.185606 BFGS: 443 17:46:47 -1641.500274 0.185428 BFGS: 444 17:46:48 -1641.521792 0.185252 BFGS: 445 17:46:49 -1641.543344 0.185079 BFGS: 446 17:46:50 -1641.564931 0.184907 BFGS: 447 17:46:51 -1641.586552 0.184738 BFGS: 448 17:46:53 -1641.608208 0.184572 BFGS: 449 17:46:54 -1641.629898 0.184408 BFGS: 450 17:46:55 -1641.651622 0.184246 BFGS: 451 17:46:56 -1641.673381 0.184087 BFGS: 452 17:46:58 -1641.695174 0.183931 BFGS: 453 17:46:59 -1641.717001 0.183777 BFGS: 454 17:47:00 -1641.738862 0.183627 BFGS: 455 17:47:02 -1641.760757 0.183479 BFGS: 456 17:47:03 -1641.782685 0.183334 BFGS: 457 17:47:04 -1641.804648 0.183193 BFGS: 458 17:47:05 -1641.826643 0.183054 BFGS: 459 17:47:06 -1641.848673 0.182919 BFGS: 460 17:47:07 -1641.870735 0.182788 BFGS: 461 17:47:09 -1641.892830 0.182660 BFGS: 462 17:47:11 -1641.914958 0.182535 BFGS: 463 17:47:13 -1641.937119 0.182415 BFGS: 464 17:47:15 -1641.959312 0.182298 BFGS: 465 17:47:17 -1641.981537 0.182185 BFGS: 466 17:47:18 -1642.003794 0.182075 BFGS: 467 17:47:20 -1642.026082 0.181971 BFGS: 468 17:47:21 -1642.048402 0.181870 BFGS: 469 17:47:22 -1642.070753 0.181773 BFGS: 470 17:47:24 -1642.093134 0.181682 BFGS: 471 17:47:25 -1642.115546 0.181594 BFGS: 472 17:47:26 -1642.137988 0.181512 BFGS: 473 17:47:28 -1642.160459 0.181434 BFGS: 474 17:47:29 -1642.182960 0.181361 BFGS: 475 17:47:30 -1642.205489 0.181293 BFGS: 476 17:47:31 -1642.228047 0.181230 BFGS: 477 17:47:33 -1642.250633 0.181173 BFGS: 478 17:47:34 -1642.273246 0.181121 BFGS: 479 17:47:35 -1642.295886 0.181075 BFGS: 480 17:47:36 -1642.318553 0.181035 BFGS: 481 17:47:38 -1642.341245 0.181000 BFGS: 482 17:47:40 -1642.363963 0.180971 BFGS: 483 17:47:41 -1642.386706 0.180949 BFGS: 484 17:47:42 -1642.409473 0.180933 BFGS: 485 17:47:45 -1642.432264 0.180924 BFGS: 486 17:47:46 -1642.455077 0.180921 BFGS: 487 17:47:48 -1642.477913 0.180925 BFGS: 488 17:47:49 -1642.500770 0.180936 BFGS: 489 17:47:52 -1642.523648 0.180954 BFGS: 490 17:47:53 -1642.546546 0.180980 BFGS: 491 17:47:54 -1642.569463 0.181013 BFGS: 492 17:47:56 -1642.592398 0.181053 BFGS: 493 17:47:58 -1642.615351 0.181102 BFGS: 494 17:48:00 -1642.638321 0.181159 BFGS: 495 17:48:01 -1642.661306 0.181224 BFGS: 496 17:48:03 -1642.684307 0.181298 BFGS: 497 17:48:04 -1642.707321 0.181380 BFGS: 498 17:48:05 -1642.730347 0.181471 BFGS: 499 17:48:07 -1642.753386 0.181571 BFGS: 500 17:48:09 -1642.776435 0.181681 BFGS: 501 17:48:10 -1642.799494 0.181800 BFGS: 502 17:48:12 -1642.822561 0.181929 BFGS: 503 17:48:13 -1642.845637 0.182069 BFGS: 504 17:48:15 -1642.868721 0.182212 BFGS: 505 17:48:18 -1642.891813 0.182356 BFGS: 506 17:48:20 -1642.914914 0.182498 BFGS: 507 17:48:22 -1642.938022 0.182639 BFGS: 508 17:48:24 -1642.961137 0.182778 BFGS: 509 17:48:25 -1642.984258 0.182914 BFGS: 510 17:48:28 -1643.007385 0.183048 BFGS: 511 17:48:29 -1643.030515 0.183178 BFGS: 512 17:48:31 -1643.053648 0.183304 BFGS: 513 17:48:33 -1643.076784 0.183426 BFGS: 514 17:48:36 -1643.099921 0.183544 BFGS: 515 17:48:38 -1643.123059 0.183656 BFGS: 516 17:48:39 -1643.146195 0.183762 BFGS: 517 17:48:41 -1643.169329 0.183863 BFGS: 518 17:48:42 -1643.192460 0.183956 BFGS: 519 17:48:43 -1643.215586 0.184043 BFGS: 520 17:48:44 -1643.238707 0.184123 BFGS: 521 17:48:47 -1643.261820 0.184195 BFGS: 522 17:48:48 -1643.284924 0.184258 BFGS: 523 17:48:50 -1643.308019 0.184313 BFGS: 524 17:48:52 -1643.331102 0.184359 BFGS: 525 17:48:54 -1643.354172 0.184395 BFGS: 526 17:48:55 -1643.377228 0.184421 BFGS: 527 17:48:57 -1643.400267 0.184436 BFGS: 528 17:48:59 -1643.423288 0.184441 BFGS: 529 17:49:01 -1643.446290 0.184434 BFGS: 530 17:49:02 -1643.469271 0.184415 BFGS: 531 17:49:04 -1643.492228 0.184384 BFGS: 532 17:49:06 -1643.515161 0.184339 BFGS: 533 17:49:08 -1643.538066 0.184282 BFGS: 534 17:49:09 -1643.560943 0.184211 BFGS: 535 17:49:11 -1643.583789 0.184125 BFGS: 536 17:49:13 -1643.606602 0.184025 BFGS: 537 17:49:15 -1643.629381 0.183910 BFGS: 538 17:49:16 -1643.652122 0.183778 BFGS: 539 17:49:17 -1643.674824 0.183630 BFGS: 540 17:49:19 -1643.697484 0.183466 BFGS: 541 17:49:20 -1643.720100 0.183284 BFGS: 542 17:49:21 -1643.742671 0.183084 BFGS: 543 17:49:24 -1643.765192 0.182865 BFGS: 544 17:49:25 -1643.787662 0.182627 BFGS: 545 17:49:27 -1643.810079 0.182370 BFGS: 546 17:49:29 -1643.832440 0.182093 BFGS: 547 17:49:30 -1643.854741 0.181795 BFGS: 548 17:49:32 -1643.876981 0.181475 BFGS: 549 17:49:33 -1643.899157 0.181134 BFGS: 550 17:49:34 -1643.921265 0.180770 BFGS: 551 17:49:36 -1643.943304 0.180383 BFGS: 552 17:49:38 -1643.965269 0.179972 BFGS: 553 17:49:39 -1643.987159 0.179538 BFGS: 554 17:49:40 -1644.008969 0.179078 BFGS: 555 17:49:42 -1644.030698 0.178592 BFGS: 556 17:49:43 -1644.052341 0.178080 BFGS: 557 17:49:45 -1644.073895 0.177542 BFGS: 558 17:49:47 -1644.095358 0.176975 BFGS: 559 17:49:49 -1644.116726 0.176381 BFGS: 560 17:49:51 -1644.137995 0.175757 BFGS: 561 17:49:52 -1644.159161 0.175104 BFGS: 562 17:49:54 -1644.180222 0.174421 BFGS: 563 17:49:56 -1644.201174 0.173706 BFGS: 564 17:49:58 -1644.222013 0.172960 BFGS: 565 17:49:59 -1644.242734 0.172181 BFGS: 566 17:50:01 -1644.263336 0.171369 BFGS: 567 17:50:02 -1644.283812 0.170524 BFGS: 568 17:50:03 -1644.304160 0.169643 BFGS: 569 17:50:06 -1644.324376 0.168727 BFGS: 570 17:50:07 -1644.344455 0.167775 BFGS: 571 17:50:09 -1644.364392 0.166786 BFGS: 572 17:50:11 -1644.384185 0.165759 BFGS: 573 17:50:12 -1644.403828 0.164694 BFGS: 574 17:50:14 -1644.423317 0.163589 BFGS: 575 17:50:16 -1644.442648 0.162444 BFGS: 576 17:50:17 -1644.461815 0.161257 BFGS: 577 17:50:19 -1644.480815 0.160029 BFGS: 578 17:50:21 -1644.499642 0.158758 BFGS: 579 17:50:23 -1644.518292 0.157443 BFGS: 580 17:50:25 -1644.536760 0.156083 BFGS: 581 17:50:27 -1644.555040 0.154678 BFGS: 582 17:50:29 -1644.573128 0.153227 BFGS: 583 17:50:31 -1644.591019 0.151728 BFGS: 584 17:50:32 -1644.608706 0.150181 BFGS: 585 17:50:33 -1644.626185 0.148585 BFGS: 586 17:50:34 -1644.643451 0.146939 BFGS: 587 17:50:36 -1644.660497 0.145242 BFGS: 588 17:50:37 -1644.677318 0.143492 BFGS: 589 17:50:38 -1644.693909 0.141690 BFGS: 590 17:50:39 -1644.710263 0.139833 BFGS: 591 17:50:41 -1644.726374 0.137921 BFGS: 592 17:50:42 -1644.742236 0.135953 BFGS: 593 17:50:43 -1644.757844 0.133927 BFGS: 594 17:50:45 -1644.773190 0.131842 BFGS: 595 17:50:46 -1644.788269 0.129698 BFGS: 596 17:50:48 -1644.803073 0.127492 BFGS: 597 17:50:49 -1644.817597 0.125224 BFGS: 598 17:50:50 -1644.831832 0.122892 BFGS: 599 17:50:52 -1644.845773 0.120494 BFGS: 600 17:50:53 -1644.859411 0.118031 BFGS: 601 17:50:54 -1644.872741 0.115499 BFGS: 602 17:50:55 -1644.885753 0.112898 BFGS: 603 17:50:57 -1644.898441 0.110225 BFGS: 604 17:50:59 -1644.910797 0.107480 BFGS: 605 17:51:00 -1644.922813 0.104661 BFGS: 606 17:51:02 -1644.934480 0.101765 BFGS: 607 17:51:04 -1644.945790 0.098791 BFGS: 608 17:51:05 -1644.956735 0.095736 BFGS: 609 17:51:06 -1644.967306 0.092598 BFGS: 610 17:51:08 -1644.977493 0.089375 BFGS: 611 17:51:09 -1644.987288 0.086064 BFGS: 612 17:51:11 -1644.996680 0.082660 BFGS: 613 17:51:12 -1645.005660 0.079162 BFGS: 614 17:51:14 -1645.014216 0.075565 BFGS: 615 17:51:15 -1645.022339 0.071866 BFGS: 616 17:51:17 -1645.030017 0.068060 BFGS: 617 17:51:18 -1645.037237 0.064141 BFGS: 618 17:51:20 -1645.043989 0.060103 BFGS: 619 17:51:22 -1645.050258 0.055939 BFGS: 620 17:51:22 -1645.056032 0.051640 BFGS: 621 17:51:23 -1645.061295 0.047194 BFGS: 622 17:51:24 -1645.066031 0.042588 BFGS: 623 17:51:26 -1645.070224 0.038455 BFGS: 624 17:51:27 -1645.073854 0.035800 BFGS: 625 17:51:28 -1645.076901 0.032783 BFGS: 626 17:51:30 -1645.079340 0.029282 BFGS: 627 17:51:32 -1645.081147 0.025058 BFGS: 628 17:51:32 -1645.082294 0.019483 BFGS: 629 17:51:34 -1645.082749 0.015089 BFGS: 630 17:51:35 -1645.083272 0.009650 BFGS: 631 17:51:37 -1645.083963 0.003913 BFGS: 632 17:51:39 -1645.084268 0.002602 BFGS: 633 17:51:40 -1645.084331 0.001752 BFGS: 634 17:51:42 -1645.084338 0.001603 BFGS: 635 17:51:43 -1645.084342 0.001367 BFGS: 636 17:51:45 -1645.084348 0.000758 BFGS: 637 17:51:46 -1645.084351 0.000310 BFGS: 638 17:51:47 -1645.084351 0.000086 BFGS: 639 17:51:49 -1645.084351 0.000019 BFGS: 640 17:51:50 -1645.084351 0.000008 BFGS: 641 17:51:51 -1645.084351 0.000004 BFGS: 642 17:51:52 -1645.084351 0.000001 BFGS: 643 17:51:53 -1645.084351 0.000000 BFGS: 644 17:51:54 -1645.084351 0.000000 BFGS: 645 17:51:56 -1645.084351 0.000000 BFGS: 646 17:51:57 -1645.084351 0.000000 BFGS: 647 17:51:58 -1645.084351 0.000000 Minimization converged after 647 steps. Maximum force component: 6.4965999478176346e-09 eV/Angstrom Maximum stress component: 7.812252464463065e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[0.00000000e+00 5.16592489e-02 7.34867272e-01] [8.36517066e-36 9.48340751e-01 7.34867272e-01] [0.00000000e+00 5.16592489e-02 2.65132728e-01] [0.00000000e+00 9.48340751e-01 2.65132728e-01] [7.34867272e-01 1.00000000e+00 5.16592489e-02] [7.34867272e-01 1.00000000e+00 9.48340751e-01] [2.65132728e-01 1.00000000e+00 5.16592489e-02] [2.65132728e-01 1.00000000e+00 9.48340751e-01] [5.16592489e-02 7.34867272e-01 0.00000000e+00] [9.48340751e-01 7.34867272e-01 7.56255115e-36] [5.16592489e-02 2.65132728e-01 0.00000000e+00] [9.48340751e-01 2.65132728e-01 0.00000000e+00] [0.00000000e+00 5.51659249e-01 2.34867272e-01] [2.84640208e-35 4.48340751e-01 2.34867272e-01] [0.00000000e+00 5.51659249e-01 7.65132728e-01] [1.41757173e-35 4.48340751e-01 7.65132728e-01] [7.34867272e-01 5.00000000e-01 5.51659249e-01] [7.34867272e-01 5.00000000e-01 4.48340751e-01] [2.65132728e-01 5.00000000e-01 5.51659249e-01] [2.65132728e-01 5.00000000e-01 4.48340751e-01] [5.16592489e-02 2.34867272e-01 5.00000000e-01] [9.48340751e-01 2.34867272e-01 5.00000000e-01] [5.16592489e-02 7.65132728e-01 5.00000000e-01] [9.48340751e-01 7.65132728e-01 5.00000000e-01] [5.00000000e-01 5.16592489e-02 2.34867272e-01] [5.00000000e-01 9.48340751e-01 2.34867272e-01] [5.00000000e-01 5.16592489e-02 7.65132728e-01] [5.00000000e-01 9.48340751e-01 7.65132728e-01] [2.34867272e-01 1.00000000e+00 5.51659249e-01] [2.34867272e-01 1.00000000e+00 4.48340751e-01] [7.65132728e-01 1.00000000e+00 5.51659249e-01] [7.65132728e-01 1.00000000e+00 4.48340751e-01] [5.51659249e-01 7.34867272e-01 5.00000000e-01] [4.48340751e-01 7.34867272e-01 5.00000000e-01] [5.51659249e-01 2.65132728e-01 5.00000000e-01] [4.48340751e-01 2.65132728e-01 5.00000000e-01] [5.00000000e-01 5.51659249e-01 7.34867272e-01] [5.00000000e-01 4.48340751e-01 7.34867272e-01] [5.00000000e-01 5.51659249e-01 2.65132728e-01] [5.00000000e-01 4.48340751e-01 2.65132728e-01] [2.34867272e-01 5.00000000e-01 5.16592489e-02] [2.34867272e-01 5.00000000e-01 9.48340751e-01] [7.65132728e-01 5.00000000e-01 5.16592489e-02] [7.65132728e-01 5.00000000e-01 9.48340751e-01] [5.51659249e-01 2.34867272e-01 0.00000000e+00] [4.48340751e-01 2.34867272e-01 7.56581438e-36] [5.51659249e-01 7.65132728e-01 0.00000000e+00] [4.48340751e-01 7.65132728e-01 0.00000000e+00] [6.09368373e-01 7.65872686e-01 5.93041361e-01] [3.90631627e-01 2.34127314e-01 5.93041361e-01] [3.90631627e-01 7.65872686e-01 4.06958639e-01] [6.09368373e-01 2.34127314e-01 4.06958639e-01] [5.93041361e-01 6.09368373e-01 7.65872686e-01] [5.93041361e-01 3.90631627e-01 2.34127314e-01] [4.06958639e-01 3.90631627e-01 7.65872686e-01] [4.06958639e-01 6.09368373e-01 2.34127314e-01] [7.65872686e-01 5.93041361e-01 6.09368373e-01] [2.34127314e-01 5.93041361e-01 3.90631627e-01] [7.65872686e-01 4.06958639e-01 3.90631627e-01] [2.34127314e-01 4.06958639e-01 6.09368373e-01] [6.09368373e-01 2.65872686e-01 9.30413609e-02] [3.90631627e-01 7.34127314e-01 9.30413609e-02] [3.90631627e-01 2.65872686e-01 9.06958639e-01] [6.09368373e-01 7.34127314e-01 9.06958639e-01] [5.93041361e-01 1.09368373e-01 2.65872686e-01] [5.93041361e-01 8.90631627e-01 7.34127314e-01] [4.06958639e-01 8.90631627e-01 2.65872686e-01] [4.06958639e-01 1.09368373e-01 7.34127314e-01] [7.65872686e-01 9.30413609e-02 1.09368373e-01] [2.34127314e-01 9.30413609e-02 8.90631627e-01] [7.65872686e-01 9.06958639e-01 8.90631627e-01] [2.34127314e-01 9.06958639e-01 1.09368373e-01] [1.09368373e-01 7.65872686e-01 9.30413609e-02] [8.90631627e-01 2.34127314e-01 9.30413609e-02] [8.90631627e-01 7.65872686e-01 9.06958639e-01] [1.09368373e-01 2.34127314e-01 9.06958639e-01] [9.30413609e-02 6.09368373e-01 2.65872686e-01] [9.30413609e-02 3.90631627e-01 7.34127314e-01] [9.06958639e-01 3.90631627e-01 2.65872686e-01] [9.06958639e-01 6.09368373e-01 7.34127314e-01] [2.65872686e-01 5.93041361e-01 1.09368373e-01] [7.34127314e-01 5.93041361e-01 8.90631627e-01] [2.65872686e-01 4.06958639e-01 8.90631627e-01] [7.34127314e-01 4.06958639e-01 1.09368373e-01] [1.09368373e-01 2.65872686e-01 5.93041361e-01] [8.90631627e-01 7.34127314e-01 5.93041361e-01] [8.90631627e-01 2.65872686e-01 4.06958639e-01] [1.09368373e-01 7.34127314e-01 4.06958639e-01] [9.30413609e-02 1.09368373e-01 7.65872686e-01] [9.30413609e-02 8.90631627e-01 2.34127314e-01] [9.06958639e-01 8.90631627e-01 7.65872686e-01] [9.06958639e-01 1.09368373e-01 2.34127314e-01] [2.65872686e-01 9.30413609e-02 6.09368373e-01] [7.34127314e-01 9.30413609e-02 3.90631627e-01] [2.65872686e-01 9.06958639e-01 3.90631627e-01] [7.34127314e-01 9.06958639e-01 6.09368373e-01] [3.90631627e-01 2.34127314e-01 4.06958639e-01] 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[2.34127314e-01 9.30413609e-02 1.09368373e-01] [7.65872686e-01 9.30413609e-02 8.90631627e-01] [8.90631627e-01 2.34127314e-01 9.06958639e-01] [1.09368373e-01 7.65872686e-01 9.06958639e-01] [1.09368373e-01 2.34127314e-01 9.30413609e-02] [8.90631627e-01 7.65872686e-01 9.30413609e-02] [9.06958639e-01 3.90631627e-01 7.34127314e-01] [9.06958639e-01 6.09368373e-01 2.65872686e-01] [9.30413609e-02 6.09368373e-01 7.34127314e-01] [9.30413609e-02 3.90631627e-01 2.65872686e-01] [7.34127314e-01 4.06958639e-01 8.90631627e-01] [2.65872686e-01 4.06958639e-01 1.09368373e-01] [7.34127314e-01 5.93041361e-01 1.09368373e-01] [2.65872686e-01 5.93041361e-01 8.90631627e-01] [8.90631627e-01 7.34127314e-01 4.06958639e-01] [1.09368373e-01 2.65872686e-01 4.06958639e-01] [1.09368373e-01 7.34127314e-01 5.93041361e-01] [8.90631627e-01 2.65872686e-01 5.93041361e-01] [9.06958639e-01 8.90631627e-01 2.34127314e-01] [9.06958639e-01 1.09368373e-01 7.65872686e-01] [9.30413609e-02 1.09368373e-01 2.34127314e-01] [9.30413609e-02 8.90631627e-01 7.65872686e-01] [7.34127314e-01 9.06958639e-01 3.90631627e-01] [2.65872686e-01 9.06958639e-01 6.09368373e-01] [7.34127314e-01 9.30413609e-02 6.09368373e-01] [2.65872686e-01 9.30413609e-02 3.90631627e-01] [7.05416306e-01 3.16799991e-01 6.07377956e-02] [2.94583694e-01 6.83200009e-01 6.07377956e-02] [2.94583694e-01 3.16799991e-01 9.39262204e-01] [7.05416306e-01 6.83200009e-01 9.39262204e-01] [6.07377956e-02 7.05416306e-01 3.16799991e-01] [6.07377956e-02 2.94583694e-01 6.83200009e-01] [9.39262204e-01 2.94583694e-01 3.16799991e-01] [9.39262204e-01 7.05416306e-01 6.83200009e-01] [3.16799991e-01 6.07377956e-02 7.05416306e-01] [6.83200009e-01 6.07377956e-02 2.94583694e-01] [3.16799991e-01 9.39262204e-01 2.94583694e-01] [6.83200009e-01 9.39262204e-01 7.05416306e-01] [7.05416306e-01 8.16799991e-01 5.60737796e-01] [2.94583694e-01 1.83200009e-01 5.60737796e-01] [2.94583694e-01 8.16799991e-01 4.39262204e-01] [7.05416306e-01 1.83200009e-01 4.39262204e-01] [6.07377956e-02 2.05416306e-01 8.16799991e-01] [6.07377956e-02 7.94583694e-01 1.83200009e-01] [9.39262204e-01 7.94583694e-01 8.16799991e-01] [9.39262204e-01 2.05416306e-01 1.83200009e-01] [3.16799991e-01 5.60737796e-01 2.05416306e-01] [6.83200009e-01 5.60737796e-01 7.94583694e-01] [3.16799991e-01 4.39262204e-01 7.94583694e-01] [6.83200009e-01 4.39262204e-01 2.05416306e-01] [2.05416306e-01 3.16799991e-01 5.60737796e-01] [7.94583694e-01 6.83200009e-01 5.60737796e-01] [7.94583694e-01 3.16799991e-01 4.39262204e-01] [2.05416306e-01 6.83200009e-01 4.39262204e-01] [5.60737796e-01 7.05416306e-01 8.16799991e-01] [5.60737796e-01 2.94583694e-01 1.83200009e-01] [4.39262204e-01 2.94583694e-01 8.16799991e-01] [4.39262204e-01 7.05416306e-01 1.83200009e-01] [8.16799991e-01 6.07377956e-02 2.05416306e-01] [1.83200009e-01 6.07377956e-02 7.94583694e-01] [8.16799991e-01 9.39262204e-01 7.94583694e-01] [1.83200009e-01 9.39262204e-01 2.05416306e-01] [2.05416306e-01 8.16799991e-01 6.07377956e-02] [7.94583694e-01 1.83200009e-01 6.07377956e-02] [7.94583694e-01 8.16799991e-01 9.39262204e-01] [2.05416306e-01 1.83200009e-01 9.39262204e-01] [5.60737796e-01 2.05416306e-01 3.16799991e-01] [5.60737796e-01 7.94583694e-01 6.83200009e-01] [4.39262204e-01 7.94583694e-01 3.16799991e-01] [4.39262204e-01 2.05416306e-01 6.83200009e-01] [8.16799991e-01 5.60737796e-01 7.05416306e-01] [1.83200009e-01 5.60737796e-01 2.94583694e-01] [8.16799991e-01 4.39262204e-01 2.94583694e-01] [1.83200009e-01 4.39262204e-01 7.05416306e-01] [2.94583694e-01 6.83200009e-01 9.39262204e-01] [7.05416306e-01 3.16799991e-01 9.39262204e-01] [7.05416306e-01 6.83200009e-01 6.07377956e-02] [2.94583694e-01 3.16799991e-01 6.07377956e-02] [9.39262204e-01 2.94583694e-01 6.83200009e-01] [9.39262204e-01 7.05416306e-01 3.16799991e-01] [6.07377956e-02 7.05416306e-01 6.83200009e-01] [6.07377956e-02 2.94583694e-01 3.16799991e-01] [6.83200009e-01 9.39262204e-01 2.94583694e-01] [3.16799991e-01 9.39262204e-01 7.05416306e-01] [6.83200009e-01 6.07377956e-02 7.05416306e-01] [3.16799991e-01 6.07377956e-02 2.94583694e-01] [2.94583694e-01 1.83200009e-01 4.39262204e-01] [7.05416306e-01 8.16799991e-01 4.39262204e-01] [7.05416306e-01 1.83200009e-01 5.60737796e-01] [2.94583694e-01 8.16799991e-01 5.60737796e-01] [9.39262204e-01 7.94583694e-01 1.83200009e-01] [9.39262204e-01 2.05416306e-01 8.16799991e-01] [6.07377956e-02 2.05416306e-01 1.83200009e-01] [6.07377956e-02 7.94583694e-01 8.16799991e-01] [6.83200009e-01 4.39262204e-01 7.94583694e-01] [3.16799991e-01 4.39262204e-01 2.05416306e-01] [6.83200009e-01 5.60737796e-01 2.05416306e-01] [3.16799991e-01 5.60737796e-01 7.94583694e-01] [7.94583694e-01 6.83200009e-01 4.39262204e-01] [2.05416306e-01 3.16799991e-01 4.39262204e-01] [2.05416306e-01 6.83200009e-01 5.60737796e-01] [7.94583694e-01 3.16799991e-01 5.60737796e-01] [4.39262204e-01 2.94583694e-01 1.83200009e-01] [4.39262204e-01 7.05416306e-01 8.16799991e-01] [5.60737796e-01 7.05416306e-01 1.83200009e-01] [5.60737796e-01 2.94583694e-01 8.16799991e-01] [1.83200009e-01 9.39262204e-01 7.94583694e-01] [8.16799991e-01 9.39262204e-01 2.05416306e-01] [1.83200009e-01 6.07377956e-02 2.05416306e-01] [8.16799991e-01 6.07377956e-02 7.94583694e-01] [7.94583694e-01 1.83200009e-01 9.39262204e-01] [2.05416306e-01 8.16799991e-01 9.39262204e-01] [2.05416306e-01 1.83200009e-01 6.07377956e-02] [7.94583694e-01 8.16799991e-01 6.07377956e-02] [4.39262204e-01 7.94583694e-01 6.83200009e-01] [4.39262204e-01 2.05416306e-01 3.16799991e-01] [5.60737796e-01 2.05416306e-01 6.83200009e-01] [5.60737796e-01 7.94583694e-01 3.16799991e-01] [1.83200009e-01 4.39262204e-01 2.94583694e-01] [8.16799991e-01 4.39262204e-01 7.05416306e-01] [1.83200009e-01 5.60737796e-01 7.05416306e-01] [8.16799991e-01 5.60737796e-01 2.94583694e-01]] cellpar = Cell([[12.990079148060133, 2.382628452175534e-37, 0.0], [3.100702492309453e-37, 12.990079148060133, 0.0], [0.0, 0.0, 12.990079148060133]]) forces = [[ 8.53947133e-31 -5.32811470e-09 -2.42035765e-09] [-4.26973566e-31 5.32811470e-09 -2.42035765e-09] [-1.27180892e-46 -5.32811470e-09 2.42035765e-09] [ 1.27180892e-46 5.32811470e-09 2.42035765e-09] [-2.42035765e-09 8.53947133e-31 -5.32811470e-09] [-2.42035765e-09 -8.53947133e-31 5.32811470e-09] [ 2.42035765e-09 4.43939789e-47 -5.32811470e-09] [ 2.42035765e-09 -5.33716958e-32 5.32811470e-09] [-5.32811470e-09 -2.42035765e-09 8.53947133e-31] [ 5.32811470e-09 -2.42035765e-09 -8.53947133e-31] [-5.32811470e-09 2.42035765e-09 0.00000000e+00] [ 5.32811470e-09 2.42035765e-09 -5.33716958e-32] [ 8.53947133e-31 -5.32811470e-09 -2.42035765e-09] [ 1.27180892e-46 5.32811470e-09 -2.42035765e-09] [-1.27180892e-46 -5.32811470e-09 2.42035765e-09] [ 1.27180892e-46 5.32811470e-09 2.42035765e-09] [-2.42035765e-09 8.53947133e-31 -5.32811470e-09] [-2.42035765e-09 -4.43939789e-47 5.32811470e-09] [ 2.42035765e-09 4.43939789e-47 -5.32811470e-09] [ 2.42035765e-09 4.43939789e-47 5.32811470e-09] [-5.32811470e-09 -2.42035765e-09 4.26973566e-31] [ 5.32811470e-09 -2.42035765e-09 0.00000000e+00] [-5.32811470e-09 2.42035765e-09 0.00000000e+00] [ 5.32811470e-09 2.42035765e-09 0.00000000e+00] [ 8.30597016e-31 -5.32811470e-09 -2.42035765e-09] [ 1.27180892e-46 5.32811470e-09 -2.42035765e-09] [-1.27180892e-46 -5.32811470e-09 2.42035765e-09] [-2.91876461e-32 5.32811470e-09 2.42035765e-09] [-2.42035765e-09 8.53947133e-31 -5.32811470e-09] [-2.42035765e-09 -4.43939789e-47 5.32811470e-09] [ 2.42035765e-09 4.43939789e-47 -5.32811470e-09] [ 2.42035765e-09 4.43939789e-47 5.32811470e-09] [-5.32811470e-09 -2.42035765e-09 8.53947133e-31] [ 5.32811470e-09 -2.42035765e-09 -8.53947133e-31] [-5.32811470e-09 2.42035765e-09 0.00000000e+00] [ 5.32811470e-09 2.42035765e-09 0.00000000e+00] [ 8.53947133e-31 -5.32811470e-09 -2.42035765e-09] [-4.26973566e-31 5.32811470e-09 -2.42035765e-09] [-1.27180892e-46 -5.32811470e-09 2.42035765e-09] [ 1.27180892e-46 5.32811470e-09 2.42035765e-09] [-2.42035765e-09 8.53947133e-31 -5.32811470e-09] [-2.42035765e-09 -8.53947133e-31 5.32811470e-09] [ 2.42035765e-09 4.43939789e-47 -5.32811470e-09] [ 2.42035765e-09 4.43939789e-47 5.32811470e-09] [-5.32811470e-09 -2.42035765e-09 4.00287719e-31] [ 5.32811470e-09 -2.42035765e-09 2.50179824e-32] [-5.32811470e-09 2.42035765e-09 1.25089912e-33] [ 5.32811470e-09 2.42035765e-09 -5.33716958e-32] [-6.49659995e-09 2.05364686e-09 -2.41627407e-09] [ 6.49659995e-09 -2.05364686e-09 -2.41627407e-09] [ 6.49659995e-09 2.05364686e-09 2.41627407e-09] [-6.49659995e-09 -2.05364686e-09 2.41627407e-09] [-2.41627407e-09 -6.49659995e-09 2.05364686e-09] [-2.41627407e-09 6.49659995e-09 -2.05364686e-09] [ 2.41627407e-09 6.49659995e-09 2.05364686e-09] [ 2.41627407e-09 -6.49659995e-09 -2.05364686e-09] [ 2.05364686e-09 -2.41627407e-09 -6.49659995e-09] [-2.05364686e-09 -2.41627407e-09 6.49659995e-09] [ 2.05364686e-09 2.41627407e-09 6.49659995e-09] [-2.05364686e-09 2.41627407e-09 -6.49659995e-09] [-6.49659995e-09 2.05364686e-09 -2.41627407e-09] [ 6.49659995e-09 -2.05364686e-09 -2.41627407e-09] [ 6.49659995e-09 2.05364686e-09 2.41627407e-09] [-6.49659995e-09 -2.05364686e-09 2.41627407e-09] [-2.41627407e-09 -6.49659995e-09 2.05364686e-09] [-2.41627407e-09 6.49659995e-09 -2.05364686e-09] [ 2.41627407e-09 6.49659995e-09 2.05364686e-09] [ 2.41627407e-09 -6.49659995e-09 -2.05364686e-09] [ 2.05364686e-09 -2.41627407e-09 -6.49659995e-09] [-2.05364686e-09 -2.41627407e-09 6.49659995e-09] [ 2.05364686e-09 2.41627407e-09 6.49659995e-09] [-2.05364686e-09 2.41627407e-09 -6.49659995e-09] [-6.49659995e-09 2.05364686e-09 -2.41627407e-09] [ 6.49659995e-09 -2.05364686e-09 -2.41627407e-09] [ 6.49659995e-09 2.05364686e-09 2.41627407e-09] [-6.49659995e-09 -2.05364686e-09 2.41627407e-09] [-2.41627407e-09 -6.49659995e-09 2.05364686e-09] [-2.41627407e-09 6.49659995e-09 -2.05364686e-09] [ 2.41627407e-09 6.49659995e-09 2.05364686e-09] [ 2.41627407e-09 -6.49659995e-09 -2.05364686e-09] [ 2.05364686e-09 -2.41627407e-09 -6.49659995e-09] [-2.05364686e-09 -2.41627407e-09 6.49659995e-09] [ 2.05364686e-09 2.41627407e-09 6.49659995e-09] [-2.05364686e-09 2.41627407e-09 -6.49659995e-09] [-6.49659995e-09 2.05364686e-09 -2.41627407e-09] [ 6.49659995e-09 -2.05364686e-09 -2.41627407e-09] [ 6.49659995e-09 2.05364686e-09 2.41627407e-09] [-6.49659995e-09 -2.05364686e-09 2.41627407e-09] [-2.41627407e-09 -6.49659995e-09 2.05364686e-09] [-2.41627407e-09 6.49659995e-09 -2.05364686e-09] [ 2.41627407e-09 6.49659995e-09 2.05364686e-09] [ 2.41627407e-09 -6.49659995e-09 -2.05364686e-09] [ 2.05364686e-09 -2.41627407e-09 -6.49659995e-09] [-2.05364686e-09 -2.41627407e-09 6.49659995e-09] [ 2.05364686e-09 2.41627407e-09 6.49659995e-09] [-2.05364686e-09 2.41627407e-09 -6.49659995e-09] [ 6.49659995e-09 -2.05364686e-09 2.41627407e-09] [-6.49659995e-09 2.05364686e-09 2.41627407e-09] [-6.49659995e-09 -2.05364686e-09 -2.41627407e-09] [ 6.49659995e-09 2.05364686e-09 -2.41627407e-09] [ 2.41627407e-09 6.49659995e-09 -2.05364686e-09] [ 2.41627407e-09 -6.49659995e-09 2.05364686e-09] [-2.41627407e-09 -6.49659995e-09 -2.05364686e-09] [-2.41627407e-09 6.49659995e-09 2.05364686e-09] [-2.05364686e-09 2.41627407e-09 6.49659995e-09] [ 2.05364686e-09 2.41627407e-09 -6.49659995e-09] [-2.05364686e-09 -2.41627407e-09 -6.49659995e-09] [ 2.05364686e-09 -2.41627407e-09 6.49659995e-09] [ 6.49659995e-09 -2.05364686e-09 2.41627407e-09] [-6.49659995e-09 2.05364686e-09 2.41627407e-09] [-6.49659995e-09 -2.05364686e-09 -2.41627407e-09] [ 6.49659995e-09 2.05364686e-09 -2.41627407e-09] [ 2.41627407e-09 6.49659995e-09 -2.05364686e-09] [ 2.41627407e-09 -6.49659995e-09 2.05364686e-09] [-2.41627407e-09 -6.49659995e-09 -2.05364686e-09] [-2.41627407e-09 6.49659995e-09 2.05364686e-09] [-2.05364686e-09 2.41627407e-09 6.49659995e-09] [ 2.05364686e-09 2.41627407e-09 -6.49659995e-09] [-2.05364686e-09 -2.41627407e-09 -6.49659995e-09] [ 2.05364686e-09 -2.41627407e-09 6.49659995e-09] [ 6.49659995e-09 -2.05364686e-09 2.41627407e-09] [-6.49659995e-09 2.05364686e-09 2.41627407e-09] [-6.49659995e-09 -2.05364686e-09 -2.41627407e-09] [ 6.49659995e-09 2.05364686e-09 -2.41627407e-09] [ 2.41627407e-09 6.49659995e-09 -2.05364686e-09] [ 2.41627407e-09 -6.49659995e-09 2.05364686e-09] [-2.41627407e-09 -6.49659995e-09 -2.05364686e-09] [-2.41627407e-09 6.49659995e-09 2.05364686e-09] [-2.05364686e-09 2.41627407e-09 6.49659995e-09] [ 2.05364686e-09 2.41627407e-09 -6.49659995e-09] [-2.05364686e-09 -2.41627407e-09 -6.49659995e-09] [ 2.05364686e-09 -2.41627407e-09 6.49659995e-09] [ 6.49659995e-09 -2.05364686e-09 2.41627407e-09] [-6.49659995e-09 2.05364686e-09 2.41627407e-09] [-6.49659995e-09 -2.05364686e-09 -2.41627407e-09] [ 6.49659995e-09 2.05364686e-09 -2.41627407e-09] [ 2.41627407e-09 6.49659995e-09 -2.05364686e-09] [ 2.41627407e-09 -6.49659995e-09 2.05364686e-09] [-2.41627407e-09 -6.49659995e-09 -2.05364686e-09] [-2.41627407e-09 6.49659995e-09 2.05364686e-09] [-2.05364686e-09 2.41627407e-09 6.49659995e-09] [ 2.05364686e-09 2.41627407e-09 -6.49659995e-09] [-2.05364686e-09 -2.41627407e-09 -6.49659995e-09] [ 2.05364686e-09 -2.41627407e-09 6.49659995e-09] [ 4.86253667e-09 -2.00329215e-09 -2.92413477e-09] [-4.86253667e-09 2.00329215e-09 -2.92413477e-09] [-4.86253667e-09 -2.00329215e-09 2.92413477e-09] [ 4.86253667e-09 2.00329215e-09 2.92413477e-09] [-2.92413477e-09 4.86253667e-09 -2.00329215e-09] [-2.92413477e-09 -4.86253667e-09 2.00329215e-09] [ 2.92413477e-09 -4.86253667e-09 -2.00329215e-09] [ 2.92413477e-09 4.86253667e-09 2.00329215e-09] [-2.00329215e-09 -2.92413477e-09 4.86253667e-09] [ 2.00329215e-09 -2.92413477e-09 -4.86253667e-09] [-2.00329215e-09 2.92413477e-09 -4.86253667e-09] [ 2.00329215e-09 2.92413477e-09 4.86253667e-09] [ 4.86253667e-09 -2.00329215e-09 -2.92413477e-09] [-4.86253667e-09 2.00329215e-09 -2.92413477e-09] [-4.86253667e-09 -2.00329215e-09 2.92413477e-09] [ 4.86253667e-09 2.00329215e-09 2.92413477e-09] [-2.92413477e-09 4.86253667e-09 -2.00329215e-09] [-2.92413477e-09 -4.86253667e-09 2.00329215e-09] [ 2.92413477e-09 -4.86253667e-09 -2.00329215e-09] [ 2.92413477e-09 4.86253667e-09 2.00329215e-09] [-2.00329215e-09 -2.92413477e-09 4.86253667e-09] [ 2.00329215e-09 -2.92413477e-09 -4.86253667e-09] [-2.00329215e-09 2.92413477e-09 -4.86253667e-09] [ 2.00329215e-09 2.92413477e-09 4.86253667e-09] [ 4.86253667e-09 -2.00329215e-09 -2.92413477e-09] [-4.86253667e-09 2.00329215e-09 -2.92413477e-09] [-4.86253667e-09 -2.00329215e-09 2.92413477e-09] [ 4.86253667e-09 2.00329215e-09 2.92413477e-09] [-2.92413477e-09 4.86253667e-09 -2.00329215e-09] [-2.92413477e-09 -4.86253667e-09 2.00329215e-09] [ 2.92413477e-09 -4.86253667e-09 -2.00329215e-09] [ 2.92413477e-09 4.86253667e-09 2.00329215e-09] [-2.00329215e-09 -2.92413477e-09 4.86253667e-09] [ 2.00329215e-09 -2.92413477e-09 -4.86253667e-09] [-2.00329215e-09 2.92413477e-09 -4.86253667e-09] [ 2.00329215e-09 2.92413477e-09 4.86253667e-09] [ 4.86253667e-09 -2.00329215e-09 -2.92413477e-09] [-4.86253667e-09 2.00329215e-09 -2.92413477e-09] [-4.86253667e-09 -2.00329215e-09 2.92413477e-09] [ 4.86253667e-09 2.00329215e-09 2.92413477e-09] [-2.92413477e-09 4.86253667e-09 -2.00329215e-09] [-2.92413477e-09 -4.86253667e-09 2.00329215e-09] [ 2.92413477e-09 -4.86253667e-09 -2.00329215e-09] [ 2.92413477e-09 4.86253667e-09 2.00329215e-09] [-2.00329215e-09 -2.92413477e-09 4.86253667e-09] [ 2.00329215e-09 -2.92413477e-09 -4.86253667e-09] [-2.00329215e-09 2.92413477e-09 -4.86253667e-09] [ 2.00329215e-09 2.92413477e-09 4.86253667e-09] [-4.86253667e-09 2.00329215e-09 2.92413477e-09] [ 4.86253667e-09 -2.00329215e-09 2.92413477e-09] [ 4.86253667e-09 2.00329215e-09 -2.92413477e-09] [-4.86253667e-09 -2.00329215e-09 -2.92413477e-09] [ 2.92413477e-09 -4.86253667e-09 2.00329215e-09] [ 2.92413477e-09 4.86253667e-09 -2.00329215e-09] [-2.92413477e-09 4.86253667e-09 2.00329215e-09] [-2.92413477e-09 -4.86253667e-09 -2.00329215e-09] [ 2.00329215e-09 2.92413477e-09 -4.86253667e-09] [-2.00329215e-09 2.92413477e-09 4.86253667e-09] [ 2.00329215e-09 -2.92413477e-09 4.86253667e-09] [-2.00329215e-09 -2.92413477e-09 -4.86253667e-09] [-4.86253667e-09 2.00329215e-09 2.92413477e-09] [ 4.86253667e-09 -2.00329215e-09 2.92413477e-09] [ 4.86253667e-09 2.00329215e-09 -2.92413477e-09] [-4.86253667e-09 -2.00329215e-09 -2.92413477e-09] [ 2.92413477e-09 -4.86253667e-09 2.00329215e-09] [ 2.92413477e-09 4.86253667e-09 -2.00329215e-09] [-2.92413477e-09 4.86253667e-09 2.00329215e-09] [-2.92413477e-09 -4.86253667e-09 -2.00329215e-09] [ 2.00329215e-09 2.92413477e-09 -4.86253667e-09] [-2.00329215e-09 2.92413477e-09 4.86253667e-09] [ 2.00329215e-09 -2.92413477e-09 4.86253667e-09] [-2.00329215e-09 -2.92413477e-09 -4.86253667e-09] [-4.86253667e-09 2.00329215e-09 2.92413477e-09] [ 4.86253667e-09 -2.00329215e-09 2.92413477e-09] [ 4.86253667e-09 2.00329215e-09 -2.92413477e-09] [-4.86253667e-09 -2.00329215e-09 -2.92413477e-09] [ 2.92413477e-09 -4.86253667e-09 2.00329215e-09] [ 2.92413477e-09 4.86253667e-09 -2.00329215e-09] [-2.92413477e-09 4.86253667e-09 2.00329215e-09] [-2.92413477e-09 -4.86253667e-09 -2.00329215e-09] [ 2.00329215e-09 2.92413477e-09 -4.86253667e-09] [-2.00329215e-09 2.92413477e-09 4.86253667e-09] [ 2.00329215e-09 -2.92413477e-09 4.86253667e-09] [-2.00329215e-09 -2.92413477e-09 -4.86253667e-09] [-4.86253667e-09 2.00329215e-09 2.92413477e-09] [ 4.86253667e-09 -2.00329215e-09 2.92413477e-09] [ 4.86253667e-09 2.00329215e-09 -2.92413477e-09] [-4.86253667e-09 -2.00329215e-09 -2.92413477e-09] [ 2.92413477e-09 -4.86253667e-09 2.00329215e-09] [ 2.92413477e-09 4.86253667e-09 -2.00329215e-09] [-2.92413477e-09 4.86253667e-09 2.00329215e-09] [-2.92413477e-09 -4.86253667e-09 -2.00329215e-09] [ 2.00329215e-09 2.92413477e-09 -4.86253667e-09] [-2.00329215e-09 2.92413477e-09 4.86253667e-09] [ 2.00329215e-09 -2.92413477e-09 4.86253667e-09] [-2.00329215e-09 -2.92413477e-09 -4.86253667e-09]] stress = [-7.81225246e-12 -7.81225246e-12 -7.81225246e-12 0.00000000e+00 0.00000000e+00 3.89579049e-34] energy per atom = -6.854518129822101 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0