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: DUNN_WenTadmor_2019v3_C__MO_714772088128_000 ==== 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 19:40:07 -1790.365900 0.9138 BFGS: 1 19:40:12 -1792.410328 0.7697 BFGS: 2 19:40:18 -1795.042547 0.6149 BFGS: 3 19:40:28 -1796.498261 0.3842 BFGS: 4 19:40:34 -1796.767099 0.1250 BFGS: 5 19:40:42 -1796.798358 0.0820 BFGS: 6 19:40:55 -1796.807669 0.0859 BFGS: 7 19:41:09 -1796.834208 0.0980 BFGS: 8 19:41:25 -1796.876027 0.1222 BFGS: 9 19:41:37 -1796.926086 0.1219 BFGS: 10 19:41:51 -1796.953398 0.0885 BFGS: 11 19:42:09 -1796.960709 0.0819 BFGS: 12 19:42:26 -1796.961544 0.0799 BFGS: 13 19:42:39 -1796.962408 0.0783 BFGS: 14 19:42:57 -1796.963783 0.0770 BFGS: 15 19:43:13 -1796.965907 0.0765 BFGS: 16 19:43:32 -1796.969191 0.0770 BFGS: 17 19:43:49 -1796.974075 0.0784 BFGS: 18 19:44:04 -1796.980566 0.0799 BFGS: 19 19:44:19 -1796.987821 0.0809 BFGS: 20 19:44:31 -1796.995802 0.0814 BFGS: 21 19:44:49 -1797.004332 0.0816 BFGS: 22 19:44:59 -1797.013272 0.0817 BFGS: 23 19:45:11 -1797.022530 0.0816 BFGS: 24 19:45:19 -1797.032037 0.0851 BFGS: 25 19:45:31 -1797.041747 0.0893 BFGS: 26 19:45:42 -1797.051619 0.0928 BFGS: 27 19:45:55 -1797.061625 0.0957 BFGS: 28 19:46:07 -1797.071741 0.0983 BFGS: 29 19:46:19 -1797.081946 0.1004 BFGS: 30 19:46:26 -1797.092226 0.1023 BFGS: 31 19:46:36 -1797.102567 0.1039 BFGS: 32 19:46:50 -1797.112956 0.1053 BFGS: 33 19:47:02 -1797.123385 0.1065 BFGS: 34 19:47:16 -1797.133844 0.1075 BFGS: 35 19:47:30 -1797.144326 0.1083 BFGS: 36 19:47:47 -1797.154825 0.1091 BFGS: 37 19:48:04 -1797.165334 0.1097 BFGS: 38 19:48:18 -1797.175848 0.1102 BFGS: 39 19:48:36 -1797.186361 0.1106 BFGS: 40 19:48:49 -1797.196871 0.1109 BFGS: 41 19:49:02 -1797.207373 0.1111 BFGS: 42 19:49:16 -1797.217862 0.1113 BFGS: 43 19:49:25 -1797.228336 0.1114 BFGS: 44 19:49:35 -1797.238791 0.1115 BFGS: 45 19:49:50 -1797.249225 0.1115 BFGS: 46 19:50:05 -1797.259635 0.1114 BFGS: 47 19:50:17 -1797.270018 0.1113 BFGS: 48 19:50:31 -1797.280372 0.1111 BFGS: 49 19:50:40 -1797.290695 0.1110 BFGS: 50 19:50:49 -1797.300985 0.1107 BFGS: 51 19:51:01 -1797.311241 0.1105 BFGS: 52 19:51:13 -1797.321460 0.1102 BFGS: 53 19:51:24 -1797.331642 0.1099 BFGS: 54 19:51:37 -1797.341784 0.1096 BFGS: 55 19:51:49 -1797.351886 0.1092 BFGS: 56 19:52:01 -1797.361946 0.1088 BFGS: 57 19:52:16 -1797.371963 0.1085 BFGS: 58 19:52:31 -1797.381937 0.1080 BFGS: 59 19:52:42 -1797.391867 0.1076 BFGS: 60 19:52:52 -1797.401751 0.1072 BFGS: 61 19:53:02 -1797.411590 0.1067 BFGS: 62 19:53:20 -1797.421382 0.1063 BFGS: 63 19:53:31 -1797.431128 0.1058 BFGS: 64 19:53:42 -1797.440826 0.1053 BFGS: 65 19:53:56 -1797.450477 0.1049 BFGS: 66 19:54:01 -1797.460080 0.1044 BFGS: 67 19:54:13 -1797.469634 0.1039 BFGS: 68 19:54:25 -1797.479140 0.1034 BFGS: 69 19:54:32 -1797.488598 0.1029 BFGS: 70 19:54:46 -1797.498007 0.1023 BFGS: 71 19:54:57 -1797.507368 0.1018 BFGS: 72 19:55:09 -1797.516680 0.1013 BFGS: 73 19:55:18 -1797.525943 0.1008 BFGS: 74 19:55:30 -1797.535157 0.1003 BFGS: 75 19:55:44 -1797.544323 0.0998 BFGS: 76 19:55:57 -1797.553441 0.0992 BFGS: 77 19:56:13 -1797.562510 0.0987 BFGS: 78 19:56:25 -1797.571532 0.0982 BFGS: 79 19:56:39 -1797.580505 0.0977 BFGS: 80 19:56:52 -1797.589431 0.0972 BFGS: 81 19:57:02 -1797.598309 0.0967 BFGS: 82 19:57:10 -1797.607140 0.0961 BFGS: 83 19:57:19 -1797.615924 0.0956 BFGS: 84 19:57:29 -1797.624661 0.0951 BFGS: 85 19:57:41 -1797.633352 0.0946 BFGS: 86 19:57:51 -1797.641996 0.0941 BFGS: 87 19:58:06 -1797.650595 0.0936 BFGS: 88 19:58:19 -1797.659148 0.0931 BFGS: 89 19:58:31 -1797.667656 0.0926 BFGS: 90 19:58:43 -1797.676119 0.0921 BFGS: 91 19:58:56 -1797.684538 0.0916 BFGS: 92 19:59:08 -1797.692912 0.0911 BFGS: 93 19:59:22 -1797.701243 0.0906 BFGS: 94 19:59:30 -1797.709530 0.0901 BFGS: 95 19:59:41 -1797.717774 0.0896 BFGS: 96 19:59:52 -1797.725975 0.0892 BFGS: 97 19:59:59 -1797.734133 0.0887 BFGS: 98 20:00:11 -1797.742250 0.0882 BFGS: 99 20:00:22 -1797.750325 0.0878 BFGS: 100 20:00:28 -1797.758358 0.0873 BFGS: 101 20:00:33 -1797.766350 0.0868 BFGS: 102 20:00:42 -1797.774302 0.0864 BFGS: 103 20:00:49 -1797.782214 0.0859 BFGS: 104 20:00:57 -1797.790085 0.0855 BFGS: 105 20:01:07 -1797.797917 0.0850 BFGS: 106 20:01:17 -1797.805710 0.0846 BFGS: 107 20:01:26 -1797.813464 0.0842 BFGS: 108 20:01:33 -1797.821180 0.0837 BFGS: 109 20:01:37 -1797.828858 0.0833 BFGS: 110 20:01:47 -1797.836497 0.0829 BFGS: 111 20:01:58 -1797.844100 0.0824 BFGS: 112 20:02:08 -1797.851665 0.0820 BFGS: 113 20:02:17 -1797.859194 0.0816 BFGS: 114 20:02:27 -1797.866687 0.0812 BFGS: 115 20:02:37 -1797.874143 0.0808 BFGS: 116 20:02:48 -1797.881564 0.0804 BFGS: 117 20:02:57 -1797.888950 0.0800 BFGS: 118 20:03:03 -1797.896301 0.0796 BFGS: 119 20:03:13 -1797.903617 0.0792 BFGS: 120 20:03:21 -1797.910899 0.0788 BFGS: 121 20:03:29 -1797.918148 0.0784 BFGS: 122 20:03:36 -1797.925361 0.0780 BFGS: 123 20:03:40 -1797.932538 0.0777 BFGS: 124 20:03:47 -1797.939679 0.0773 BFGS: 125 20:03:56 -1797.946783 0.0769 BFGS: 126 20:04:05 -1797.953850 0.0765 BFGS: 127 20:04:13 -1797.960879 0.0761 BFGS: 128 20:04:19 -1797.967870 0.0757 BFGS: 129 20:04:29 -1797.974823 0.0752 BFGS: 130 20:04:36 -1797.981737 0.0748 BFGS: 131 20:04:45 -1797.988613 0.0744 BFGS: 132 20:04:55 -1797.995452 0.0740 BFGS: 133 20:05:05 -1798.002252 0.0736 BFGS: 134 20:05:14 -1798.009015 0.0732 BFGS: 135 20:05:23 -1798.015740 0.0727 BFGS: 136 20:05:33 -1798.022428 0.0723 BFGS: 137 20:05:39 -1798.029079 0.0719 BFGS: 138 20:05:49 -1798.035693 0.0715 BFGS: 139 20:05:56 -1798.042271 0.0711 BFGS: 140 20:06:06 -1798.048813 0.0707 BFGS: 141 20:06:16 -1798.055318 0.0703 BFGS: 142 20:06:25 -1798.061788 0.0699 BFGS: 143 20:06:36 -1798.068220 0.0695 BFGS: 144 20:06:46 -1798.074617 0.0691 BFGS: 145 20:06:55 -1798.080976 0.0687 BFGS: 146 20:07:04 -1798.087299 0.0683 BFGS: 147 20:07:14 -1798.093586 0.0679 BFGS: 148 20:07:25 -1798.099836 0.0675 BFGS: 149 20:07:32 -1798.106051 0.0671 BFGS: 150 20:07:41 -1798.112229 0.0667 BFGS: 151 20:07:48 -1798.118372 0.0663 BFGS: 152 20:07:58 -1798.124480 0.0659 BFGS: 153 20:08:08 -1798.130553 0.0655 BFGS: 154 20:08:19 -1798.136591 0.0651 BFGS: 155 20:08:30 -1798.142595 0.0647 BFGS: 156 20:08:39 -1798.148565 0.0643 BFGS: 157 20:08:48 -1798.154501 0.0639 BFGS: 158 20:08:56 -1798.160404 0.0636 BFGS: 159 20:09:04 -1798.166274 0.0632 BFGS: 160 20:09:09 -1798.172113 0.0629 BFGS: 161 20:09:15 -1798.177920 0.0625 BFGS: 162 20:09:24 -1798.183693 0.0621 BFGS: 163 20:09:29 -1798.189432 0.0618 BFGS: 164 20:09:33 -1798.195138 0.0614 BFGS: 165 20:09:40 -1798.200811 0.0610 BFGS: 166 20:09:48 -1798.206450 0.0607 BFGS: 167 20:09:52 -1798.212056 0.0603 BFGS: 168 20:09:57 -1798.217629 0.0600 BFGS: 169 20:10:07 -1798.223169 0.0596 BFGS: 170 20:10:14 -1798.228677 0.0592 BFGS: 171 20:10:19 -1798.234153 0.0589 BFGS: 172 20:10:26 -1798.239597 0.0585 BFGS: 173 20:10:34 -1798.245009 0.0582 BFGS: 174 20:10:41 -1798.250390 0.0578 BFGS: 175 20:10:51 -1798.255739 0.0574 BFGS: 176 20:11:00 -1798.261058 0.0571 BFGS: 177 20:11:08 -1798.266346 0.0568 BFGS: 178 20:11:18 -1798.271604 0.0564 BFGS: 179 20:11:27 -1798.276832 0.0561 BFGS: 180 20:11:36 -1798.282030 0.0557 BFGS: 181 20:11:45 -1798.287199 0.0554 BFGS: 182 20:11:54 -1798.292338 0.0551 BFGS: 183 20:12:04 -1798.297449 0.0547 BFGS: 184 20:12:15 -1798.302531 0.0544 BFGS: 185 20:12:23 -1798.307585 0.0541 BFGS: 186 20:12:27 -1798.312610 0.0538 BFGS: 187 20:12:32 -1798.317608 0.0534 BFGS: 188 20:12:40 -1798.322579 0.0531 BFGS: 189 20:12:47 -1798.327522 0.0528 BFGS: 190 20:12:52 -1798.332438 0.0525 BFGS: 191 20:13:00 -1798.337328 0.0522 BFGS: 192 20:13:08 -1798.342191 0.0519 BFGS: 193 20:13:13 -1798.347029 0.0516 BFGS: 194 20:13:21 -1798.351840 0.0513 BFGS: 195 20:13:27 -1798.356626 0.0510 BFGS: 196 20:13:35 -1798.361386 0.0507 BFGS: 197 20:13:44 -1798.366122 0.0504 BFGS: 198 20:13:49 -1798.370833 0.0501 BFGS: 199 20:13:53 -1798.375519 0.0499 BFGS: 200 20:13:57 -1798.380181 0.0496 BFGS: 201 20:14:01 -1798.384819 0.0493 BFGS: 202 20:14:07 -1798.389433 0.0490 BFGS: 203 20:14:18 -1798.394023 0.0488 BFGS: 204 20:14:25 -1798.398591 0.0485 BFGS: 205 20:14:29 -1798.403135 0.0482 BFGS: 206 20:14:36 -1798.407657 0.0480 BFGS: 207 20:14:43 -1798.412156 0.0477 BFGS: 208 20:14:51 -1798.416632 0.0474 BFGS: 209 20:14:56 -1798.421087 0.0472 BFGS: 210 20:15:03 -1798.425520 0.0469 BFGS: 211 20:15:10 -1798.429931 0.0467 BFGS: 212 20:15:13 -1798.434320 0.0464 BFGS: 213 20:15:21 -1798.438689 0.0462 BFGS: 214 20:15:24 -1798.443037 0.0460 BFGS: 215 20:15:32 -1798.447363 0.0457 BFGS: 216 20:15:40 -1798.451670 0.0455 BFGS: 217 20:15:43 -1798.455956 0.0453 BFGS: 218 20:15:49 -1798.460222 0.0450 BFGS: 219 20:15:58 -1798.464468 0.0448 BFGS: 220 20:16:05 -1798.468694 0.0446 BFGS: 221 20:16:12 -1798.472901 0.0443 BFGS: 222 20:16:21 -1798.477089 0.0441 BFGS: 223 20:16:27 -1798.481257 0.0439 BFGS: 224 20:16:35 -1798.485407 0.0437 BFGS: 225 20:16:43 -1798.489538 0.0435 BFGS: 226 20:16:50 -1798.493651 0.0433 BFGS: 227 20:16:55 -1798.497745 0.0431 BFGS: 228 20:17:02 -1798.501821 0.0428 BFGS: 229 20:17:11 -1798.505879 0.0426 BFGS: 230 20:17:20 -1798.509920 0.0424 BFGS: 231 20:17:24 -1798.513943 0.0422 BFGS: 232 20:17:30 -1798.517948 0.0420 BFGS: 233 20:17:38 -1798.521936 0.0418 BFGS: 234 20:17:45 -1798.525908 0.0417 BFGS: 235 20:17:51 -1798.529862 0.0415 BFGS: 236 20:17:58 -1798.533800 0.0413 BFGS: 237 20:18:04 -1798.537721 0.0411 BFGS: 238 20:18:10 -1798.541626 0.0409 BFGS: 239 20:18:16 -1798.545515 0.0407 BFGS: 240 20:18:23 -1798.549387 0.0405 BFGS: 241 20:18:31 -1798.553244 0.0404 BFGS: 242 20:18:38 -1798.557085 0.0402 BFGS: 243 20:18:45 -1798.560911 0.0400 BFGS: 244 20:18:53 -1798.564721 0.0398 BFGS: 245 20:19:02 -1798.568516 0.0397 BFGS: 246 20:19:08 -1798.572295 0.0395 BFGS: 247 20:19:12 -1798.576060 0.0393 BFGS: 248 20:19:19 -1798.579810 0.0391 BFGS: 249 20:19:26 -1798.583545 0.0390 BFGS: 250 20:19:36 -1798.587266 0.0388 BFGS: 251 20:19:39 -1798.590972 0.0387 BFGS: 252 20:19:47 -1798.594665 0.0385 BFGS: 253 20:19:54 -1798.598343 0.0383 BFGS: 254 20:20:02 -1798.602007 0.0382 BFGS: 255 20:20:07 -1798.605657 0.0380 BFGS: 256 20:20:15 -1798.609294 0.0379 BFGS: 257 20:20:22 -1798.612916 0.0377 BFGS: 258 20:20:29 -1798.616526 0.0376 BFGS: 259 20:20:35 -1798.620122 0.0374 BFGS: 260 20:20:42 -1798.623705 0.0373 BFGS: 261 20:20:48 -1798.627275 0.0371 BFGS: 262 20:20:54 -1798.630832 0.0370 BFGS: 263 20:20:58 -1798.634376 0.0368 BFGS: 264 20:21:05 -1798.637907 0.0367 BFGS: 265 20:21:11 -1798.641426 0.0366 BFGS: 266 20:21:17 -1798.644932 0.0364 BFGS: 267 20:21:20 -1798.648426 0.0363 BFGS: 268 20:21:26 -1798.651908 0.0361 BFGS: 269 20:21:30 -1798.655377 0.0360 BFGS: 270 20:21:39 -1798.658835 0.0359 BFGS: 271 20:21:44 -1798.662280 0.0357 BFGS: 272 20:21:48 -1798.665714 0.0356 BFGS: 273 20:21:52 -1798.669136 0.0355 BFGS: 274 20:21:57 -1798.672547 0.0353 BFGS: 275 20:22:02 -1798.675945 0.0352 BFGS: 276 20:22:07 -1798.679333 0.0351 BFGS: 277 20:22:12 -1798.682709 0.0350 BFGS: 278 20:22:16 -1798.686074 0.0348 BFGS: 279 20:22:21 -1798.689428 0.0347 BFGS: 280 20:22:26 -1798.692771 0.0346 BFGS: 281 20:22:33 -1798.696103 0.0345 BFGS: 282 20:22:38 -1798.699424 0.0344 BFGS: 283 20:22:43 -1798.702734 0.0342 BFGS: 284 20:22:52 -1798.706034 0.0341 BFGS: 285 20:22:59 -1798.709323 0.0340 BFGS: 286 20:23:04 -1798.712601 0.0339 BFGS: 287 20:23:08 -1798.715870 0.0338 BFGS: 288 20:23:12 -1798.719128 0.0337 BFGS: 289 20:23:16 -1798.722376 0.0336 BFGS: 290 20:23:22 -1798.725614 0.0335 BFGS: 291 20:23:27 -1798.728841 0.0333 BFGS: 292 20:23:33 -1798.732059 0.0332 BFGS: 293 20:23:38 -1798.735267 0.0331 BFGS: 294 20:23:42 -1798.738465 0.0330 BFGS: 295 20:23:46 -1798.741654 0.0329 BFGS: 296 20:23:50 -1798.744833 0.0328 BFGS: 297 20:23:54 -1798.748000 0.0327 BFGS: 298 20:23:59 -1798.751155 0.0326 BFGS: 299 20:24:02 -1798.754298 0.0325 BFGS: 300 20:24:05 -1798.757427 0.0324 BFGS: 301 20:24:08 -1798.760543 0.0323 BFGS: 302 20:24:12 -1798.763646 0.0322 BFGS: 303 20:24:16 -1798.766736 0.0321 BFGS: 304 20:24:19 -1798.769812 0.0320 BFGS: 305 20:24:22 -1798.772875 0.0318 BFGS: 306 20:24:25 -1798.775924 0.0317 BFGS: 307 20:24:29 -1798.778961 0.0316 BFGS: 308 20:24:32 -1798.781984 0.0315 BFGS: 309 20:24:36 -1798.784994 0.0313 BFGS: 310 20:24:39 -1798.787992 0.0312 BFGS: 311 20:24:43 -1798.790976 0.0311 BFGS: 312 20:24:47 -1798.793948 0.0310 BFGS: 313 20:24:51 -1798.796907 0.0308 BFGS: 314 20:24:54 -1798.799853 0.0307 BFGS: 315 20:24:57 -1798.802786 0.0306 BFGS: 316 20:25:01 -1798.805708 0.0304 BFGS: 317 20:25:05 -1798.808616 0.0303 BFGS: 318 20:25:09 -1798.811513 0.0302 BFGS: 319 20:25:12 -1798.814397 0.0301 BFGS: 320 20:25:16 -1798.817268 0.0299 BFGS: 321 20:25:19 -1798.820128 0.0298 BFGS: 322 20:25:23 -1798.822976 0.0297 BFGS: 323 20:25:26 -1798.825812 0.0295 BFGS: 324 20:25:30 -1798.828636 0.0294 BFGS: 325 20:25:33 -1798.831449 0.0293 BFGS: 326 20:25:37 -1798.834249 0.0292 BFGS: 327 20:25:40 -1798.837039 0.0290 BFGS: 328 20:25:44 -1798.839816 0.0289 BFGS: 329 20:25:47 -1798.842583 0.0288 BFGS: 330 20:25:51 -1798.845338 0.0287 BFGS: 331 20:25:55 -1798.848082 0.0286 BFGS: 332 20:26:01 -1798.850815 0.0284 BFGS: 333 20:26:04 -1798.853537 0.0283 BFGS: 334 20:26:09 -1798.856248 0.0282 BFGS: 335 20:26:13 -1798.858948 0.0281 BFGS: 336 20:26:17 -1798.861638 0.0280 BFGS: 337 20:26:21 -1798.864316 0.0278 BFGS: 338 20:26:24 -1798.866985 0.0277 BFGS: 339 20:26:27 -1798.869642 0.0276 BFGS: 340 20:26:31 -1798.872288 0.0275 BFGS: 341 20:26:34 -1798.874920 0.0274 BFGS: 342 20:26:38 -1798.877540 0.0273 BFGS: 343 20:26:41 -1798.880146 0.0272 BFGS: 344 20:26:47 -1798.882737 0.0271 BFGS: 345 20:26:53 -1798.885314 0.0270 BFGS: 346 20:26:57 -1798.887875 0.0268 BFGS: 347 20:27:01 -1798.890421 0.0267 BFGS: 348 20:27:04 -1798.892953 0.0266 BFGS: 349 20:27:08 -1798.895466 0.0264 BFGS: 350 20:27:11 -1798.897962 0.0263 BFGS: 351 20:27:15 -1798.900440 0.0262 BFGS: 352 20:27:18 -1798.902899 0.0260 BFGS: 353 20:27:22 -1798.905340 0.0259 BFGS: 354 20:27:26 -1798.907763 0.0257 BFGS: 355 20:27:30 -1798.910166 0.0255 BFGS: 356 20:27:36 -1798.912551 0.0253 BFGS: 357 20:27:39 -1798.914917 0.0252 BFGS: 358 20:27:42 -1798.917265 0.0250 BFGS: 359 20:27:45 -1798.919595 0.0248 BFGS: 360 20:27:50 -1798.921906 0.0246 BFGS: 361 20:27:55 -1798.924198 0.0244 BFGS: 362 20:27:59 -1798.926473 0.0242 BFGS: 363 20:28:02 -1798.928729 0.0240 BFGS: 364 20:28:05 -1798.930967 0.0238 BFGS: 365 20:28:09 -1798.933187 0.0236 BFGS: 366 20:28:12 -1798.935389 0.0235 BFGS: 367 20:28:15 -1798.937574 0.0233 BFGS: 368 20:28:18 -1798.939741 0.0231 BFGS: 369 20:28:22 -1798.941890 0.0229 BFGS: 370 20:28:26 -1798.944022 0.0227 BFGS: 371 20:28:30 -1798.946136 0.0225 BFGS: 372 20:28:34 -1798.948233 0.0223 BFGS: 373 20:28:37 -1798.950313 0.0221 BFGS: 374 20:28:41 -1798.952376 0.0219 BFGS: 375 20:28:45 -1798.954423 0.0217 BFGS: 376 20:28:48 -1798.956452 0.0216 BFGS: 377 20:28:52 -1798.958464 0.0214 BFGS: 378 20:28:55 -1798.960460 0.0212 BFGS: 379 20:29:02 -1798.962440 0.0210 BFGS: 380 20:29:07 -1798.964403 0.0208 BFGS: 381 20:29:13 -1798.966350 0.0206 BFGS: 382 20:29:18 -1798.968281 0.0205 BFGS: 383 20:29:22 -1798.970195 0.0203 BFGS: 384 20:29:25 -1798.972094 0.0201 BFGS: 385 20:29:29 -1798.973977 0.0199 BFGS: 386 20:29:32 -1798.975844 0.0197 BFGS: 387 20:29:35 -1798.977696 0.0196 BFGS: 388 20:29:38 -1798.979532 0.0194 BFGS: 389 20:29:42 -1798.981352 0.0192 BFGS: 390 20:29:45 -1798.983158 0.0190 BFGS: 391 20:29:49 -1798.984948 0.0189 BFGS: 392 20:29:53 -1798.986723 0.0187 BFGS: 393 20:29:56 -1798.988483 0.0185 BFGS: 394 20:30:00 -1798.990229 0.0184 BFGS: 395 20:30:03 -1798.991959 0.0182 BFGS: 396 20:30:09 -1798.993675 0.0180 BFGS: 397 20:30:13 -1798.995377 0.0179 BFGS: 398 20:30:16 -1798.997064 0.0177 BFGS: 399 20:30:19 -1798.998736 0.0175 BFGS: 400 20:30:22 -1799.000395 0.0174 BFGS: 401 20:30:26 -1799.002039 0.0172 BFGS: 402 20:30:30 -1799.003669 0.0171 BFGS: 403 20:30:34 -1799.005285 0.0169 BFGS: 404 20:30:38 -1799.006888 0.0168 BFGS: 405 20:30:41 -1799.008476 0.0166 BFGS: 406 20:30:44 -1799.010051 0.0164 BFGS: 407 20:30:48 -1799.011613 0.0163 BFGS: 408 20:30:54 -1799.013161 0.0161 BFGS: 409 20:31:01 -1799.014696 0.0160 BFGS: 410 20:31:08 -1799.016217 0.0158 BFGS: 411 20:31:12 -1799.017725 0.0157 BFGS: 412 20:31:17 -1799.019221 0.0155 BFGS: 413 20:31:23 -1799.020703 0.0154 BFGS: 414 20:31:30 -1799.022172 0.0153 BFGS: 415 20:31:35 -1799.023629 0.0151 BFGS: 416 20:31:39 -1799.025073 0.0150 BFGS: 417 20:31:43 -1799.026504 0.0148 BFGS: 418 20:31:47 -1799.027923 0.0147 BFGS: 419 20:31:51 -1799.029330 0.0146 BFGS: 420 20:31:56 -1799.030724 0.0144 BFGS: 421 20:31:59 -1799.032106 0.0143 BFGS: 422 20:32:03 -1799.033476 0.0141 BFGS: 423 20:32:07 -1799.034833 0.0140 BFGS: 424 20:32:10 -1799.036179 0.0139 BFGS: 425 20:32:13 -1799.037513 0.0137 BFGS: 426 20:32:16 -1799.038835 0.0136 BFGS: 427 20:32:19 -1799.040146 0.0135 BFGS: 428 20:32:22 -1799.041444 0.0134 BFGS: 429 20:32:26 -1799.042732 0.0132 BFGS: 430 20:32:30 -1799.044008 0.0131 BFGS: 431 20:32:35 -1799.045272 0.0130 BFGS: 432 20:32:39 -1799.046525 0.0129 BFGS: 433 20:32:44 -1799.047767 0.0127 BFGS: 434 20:32:49 -1799.048998 0.0126 BFGS: 435 20:32:52 -1799.050218 0.0125 BFGS: 436 20:32:56 -1799.051427 0.0124 BFGS: 437 20:32:59 -1799.052626 0.0122 BFGS: 438 20:33:02 -1799.053813 0.0121 BFGS: 439 20:33:06 -1799.054990 0.0120 BFGS: 440 20:33:09 -1799.056156 0.0119 BFGS: 441 20:33:12 -1799.057311 0.0118 BFGS: 442 20:33:15 -1799.058456 0.0117 BFGS: 443 20:33:18 -1799.059591 0.0115 BFGS: 444 20:33:22 -1799.060715 0.0114 BFGS: 445 20:33:25 -1799.061829 0.0113 BFGS: 446 20:33:28 -1799.062934 0.0112 BFGS: 447 20:33:32 -1799.064027 0.0111 BFGS: 448 20:33:36 -1799.065111 0.0110 BFGS: 449 20:33:39 -1799.066186 0.0109 BFGS: 450 20:33:42 -1799.067250 0.0108 BFGS: 451 20:33:46 -1799.068304 0.0107 BFGS: 452 20:33:49 -1799.069349 0.0106 BFGS: 453 20:33:54 -1799.070384 0.0105 BFGS: 454 20:33:58 -1799.071410 0.0104 BFGS: 455 20:34:01 -1799.072426 0.0103 BFGS: 456 20:34:04 -1799.073433 0.0102 BFGS: 457 20:34:07 -1799.074430 0.0101 BFGS: 458 20:34:11 -1799.075419 0.0100 BFGS: 459 20:34:16 -1799.076398 0.0099 BFGS: 460 20:34:19 -1799.077368 0.0098 BFGS: 461 20:34:25 -1799.078329 0.0097 BFGS: 462 20:34:28 -1799.079281 0.0096 BFGS: 463 20:34:32 -1799.080224 0.0095 BFGS: 464 20:34:35 -1799.081158 0.0094 BFGS: 465 20:34:39 -1799.082084 0.0093 BFGS: 466 20:34:43 -1799.083001 0.0092 BFGS: 467 20:34:47 -1799.083909 0.0091 BFGS: 468 20:34:51 -1799.084809 0.0090 BFGS: 469 20:34:55 -1799.085700 0.0089 BFGS: 470 20:34:59 -1799.086583 0.0088 BFGS: 471 20:35:03 -1799.087458 0.0087 BFGS: 472 20:35:07 -1799.088324 0.0086 BFGS: 473 20:35:10 -1799.089182 0.0086 BFGS: 474 20:35:13 -1799.090032 0.0085 BFGS: 475 20:35:17 -1799.090874 0.0084 BFGS: 476 20:35:20 -1799.091708 0.0083 BFGS: 477 20:35:24 -1799.092534 0.0082 BFGS: 478 20:35:28 -1799.093352 0.0081 BFGS: 479 20:35:32 -1799.094163 0.0080 BFGS: 480 20:35:35 -1799.094965 0.0080 BFGS: 481 20:35:39 -1799.095760 0.0079 BFGS: 482 20:35:43 -1799.096548 0.0078 BFGS: 483 20:35:47 -1799.097328 0.0077 BFGS: 484 20:35:50 -1799.098100 0.0076 BFGS: 485 20:35:54 -1799.098865 0.0076 BFGS: 486 20:35:57 -1799.099623 0.0075 BFGS: 487 20:36:01 -1799.100374 0.0074 BFGS: 488 20:36:04 -1799.101117 0.0073 BFGS: 489 20:36:07 -1799.101853 0.0073 BFGS: 490 20:36:12 -1799.102582 0.0072 BFGS: 491 20:36:16 -1799.103304 0.0071 BFGS: 492 20:36:19 -1799.104019 0.0070 BFGS: 493 20:36:23 -1799.104728 0.0070 BFGS: 494 20:36:26 -1799.105429 0.0069 BFGS: 495 20:36:29 -1799.106124 0.0068 BFGS: 496 20:36:32 -1799.106812 0.0067 BFGS: 497 20:36:36 -1799.107493 0.0067 BFGS: 498 20:36:40 -1799.108168 0.0066 BFGS: 499 20:36:43 -1799.108836 0.0065 BFGS: 500 20:36:46 -1799.109498 0.0065 BFGS: 501 20:36:50 -1799.110154 0.0064 BFGS: 502 20:36:54 -1799.110803 0.0063 BFGS: 503 20:36:59 -1799.111446 0.0063 BFGS: 504 20:37:02 -1799.112083 0.0062 BFGS: 505 20:37:06 -1799.112713 0.0061 BFGS: 506 20:37:10 -1799.113338 0.0061 BFGS: 507 20:37:13 -1799.113956 0.0060 BFGS: 508 20:37:17 -1799.114569 0.0060 BFGS: 509 20:37:20 -1799.115176 0.0059 BFGS: 510 20:37:24 -1799.115777 0.0058 BFGS: 511 20:37:27 -1799.116372 0.0058 BFGS: 512 20:37:31 -1799.116961 0.0057 BFGS: 513 20:37:34 -1799.117545 0.0057 BFGS: 514 20:37:37 -1799.118124 0.0056 BFGS: 515 20:37:41 -1799.118696 0.0055 BFGS: 516 20:37:44 -1799.119264 0.0055 BFGS: 517 20:37:47 -1799.119825 0.0054 BFGS: 518 20:37:50 -1799.120382 0.0054 BFGS: 519 20:37:54 -1799.120932 0.0053 BFGS: 520 20:37:58 -1799.121475 0.0053 BFGS: 521 20:38:01 -1799.122011 0.0052 BFGS: 522 20:38:05 -1799.122541 0.0052 BFGS: 523 20:38:08 -1799.123065 0.0051 BFGS: 524 20:38:11 -1799.123582 0.0051 BFGS: 525 20:38:14 -1799.124092 0.0050 BFGS: 526 20:38:18 -1799.124596 0.0050 BFGS: 527 20:38:22 -1799.125094 0.0049 BFGS: 528 20:38:25 -1799.125585 0.0048 BFGS: 529 20:38:29 -1799.126071 0.0048 BFGS: 530 20:38:32 -1799.126549 0.0047 BFGS: 531 20:38:35 -1799.127022 0.0047 BFGS: 532 20:38:38 -1799.127489 0.0046 BFGS: 533 20:38:42 -1799.127949 0.0045 BFGS: 534 20:38:45 -1799.128404 0.0045 BFGS: 535 20:38:49 -1799.128852 0.0044 BFGS: 536 20:38:52 -1799.129295 0.0044 BFGS: 537 20:38:56 -1799.129731 0.0043 BFGS: 538 20:38:59 -1799.130162 0.0043 BFGS: 539 20:39:03 -1799.130587 0.0042 BFGS: 540 20:39:06 -1799.131006 0.0041 BFGS: 541 20:39:09 -1799.131419 0.0041 BFGS: 542 20:39:13 -1799.131827 0.0040 BFGS: 543 20:39:16 -1799.132229 0.0040 BFGS: 544 20:39:19 -1799.132626 0.0039 BFGS: 545 20:39:23 -1799.133017 0.0039 BFGS: 546 20:39:26 -1799.133403 0.0038 BFGS: 547 20:39:30 -1799.133783 0.0038 BFGS: 548 20:39:34 -1799.134158 0.0037 BFGS: 549 20:39:37 -1799.134527 0.0036 BFGS: 550 20:39:41 -1799.134891 0.0036 BFGS: 551 20:39:45 -1799.135250 0.0035 BFGS: 552 20:39:48 -1799.135604 0.0035 BFGS: 553 20:39:52 -1799.135953 0.0034 BFGS: 554 20:39:55 -1799.136296 0.0034 BFGS: 555 20:39:58 -1799.136634 0.0033 BFGS: 556 20:40:01 -1799.136968 0.0033 BFGS: 557 20:40:05 -1799.137296 0.0032 BFGS: 558 20:40:08 -1799.137620 0.0032 BFGS: 559 20:40:12 -1799.137939 0.0031 BFGS: 560 20:40:15 -1799.138253 0.0031 BFGS: 561 20:40:18 -1799.138562 0.0030 BFGS: 562 20:40:22 -1799.138866 0.0030 BFGS: 563 20:40:25 -1799.139166 0.0029 BFGS: 564 20:40:29 -1799.139461 0.0029 BFGS: 565 20:40:32 -1799.139751 0.0028 BFGS: 566 20:40:35 -1799.140037 0.0028 BFGS: 567 20:40:40 -1799.140319 0.0028 BFGS: 568 20:40:43 -1799.140596 0.0027 BFGS: 569 20:40:46 -1799.140868 0.0027 BFGS: 570 20:40:51 -1799.141137 0.0026 BFGS: 571 20:40:55 -1799.141401 0.0026 BFGS: 572 20:40:59 -1799.141660 0.0025 BFGS: 573 20:41:02 -1799.141916 0.0025 BFGS: 574 20:41:05 -1799.142167 0.0024 BFGS: 575 20:41:08 -1799.142414 0.0024 BFGS: 576 20:41:11 -1799.142657 0.0024 BFGS: 577 20:41:15 -1799.142896 0.0023 BFGS: 578 20:41:18 -1799.143131 0.0023 BFGS: 579 20:41:22 -1799.143362 0.0022 BFGS: 580 20:41:25 -1799.143589 0.0022 BFGS: 581 20:41:28 -1799.143813 0.0022 BFGS: 582 20:41:32 -1799.144032 0.0021 BFGS: 583 20:41:35 -1799.144248 0.0021 BFGS: 584 20:41:38 -1799.144460 0.0020 BFGS: 585 20:41:41 -1799.144668 0.0020 BFGS: 586 20:41:44 -1799.144873 0.0020 BFGS: 587 20:41:47 -1799.145074 0.0019 BFGS: 588 20:41:51 -1799.145272 0.0019 BFGS: 589 20:41:55 -1799.145466 0.0019 BFGS: 590 20:41:59 -1799.145657 0.0018 BFGS: 591 20:42:03 -1799.145844 0.0018 BFGS: 592 20:42:06 -1799.146028 0.0018 BFGS: 593 20:42:09 -1799.146209 0.0017 BFGS: 594 20:42:12 -1799.146386 0.0017 BFGS: 595 20:42:15 -1799.146560 0.0017 BFGS: 596 20:42:18 -1799.146731 0.0016 BFGS: 597 20:42:21 -1799.146899 0.0016 BFGS: 598 20:42:25 -1799.147064 0.0016 BFGS: 599 20:42:28 -1799.147225 0.0015 BFGS: 600 20:42:32 -1799.147384 0.0015 BFGS: 601 20:42:35 -1799.147540 0.0015 BFGS: 602 20:42:39 -1799.147693 0.0015 BFGS: 603 20:42:43 -1799.147843 0.0014 BFGS: 604 20:42:46 -1799.147990 0.0014 BFGS: 605 20:42:50 -1799.148134 0.0014 BFGS: 606 20:42:53 -1799.148276 0.0013 BFGS: 607 20:42:57 -1799.148414 0.0013 BFGS: 608 20:43:02 -1799.148549 0.0013 BFGS: 609 20:43:05 -1799.148681 0.0013 BFGS: 610 20:43:08 -1799.148810 0.0012 BFGS: 611 20:43:12 -1799.148936 0.0012 BFGS: 612 20:43:15 -1799.149059 0.0012 BFGS: 613 20:43:18 -1799.149179 0.0012 BFGS: 614 20:43:22 -1799.149297 0.0011 BFGS: 615 20:43:25 -1799.149411 0.0011 BFGS: 616 20:43:28 -1799.149523 0.0011 BFGS: 617 20:43:32 -1799.149632 0.0011 BFGS: 618 20:43:35 -1799.149738 0.0010 BFGS: 619 20:43:38 -1799.149841 0.0010 BFGS: 620 20:43:41 -1799.149942 0.0010 BFGS: 621 20:43:44 -1799.150040 0.0010 BFGS: 622 20:43:47 -1799.150136 0.0009 BFGS: 623 20:43:51 -1799.150229 0.0009 BFGS: 624 20:43:55 -1799.150319 0.0009 BFGS: 625 20:43:58 -1799.150407 0.0009 BFGS: 626 20:44:02 -1799.150493 0.0008 BFGS: 627 20:44:05 -1799.150576 0.0008 BFGS: 628 20:44:08 -1799.150657 0.0008 BFGS: 629 20:44:11 -1799.150736 0.0008 BFGS: 630 20:44:14 -1799.150812 0.0008 BFGS: 631 20:44:18 -1799.150886 0.0007 BFGS: 632 20:44:21 -1799.150958 0.0007 BFGS: 633 20:44:24 -1799.151028 0.0007 BFGS: 634 20:44:27 -1799.151095 0.0007 BFGS: 635 20:44:30 -1799.151161 0.0007 BFGS: 636 20:44:34 -1799.151224 0.0006 BFGS: 637 20:44:37 -1799.151285 0.0006 BFGS: 638 20:44:40 -1799.151345 0.0006 BFGS: 639 20:44:43 -1799.151402 0.0006 BFGS: 640 20:44:46 -1799.151458 0.0006 BFGS: 641 20:44:49 -1799.151511 0.0005 BFGS: 642 20:44:52 -1799.151563 0.0005 BFGS: 643 20:44:56 -1799.151613 0.0005 BFGS: 644 20:44:59 -1799.151661 0.0005 BFGS: 645 20:45:02 -1799.151708 0.0005 BFGS: 646 20:45:05 -1799.151752 0.0005 BFGS: 647 20:45:08 -1799.151795 0.0004 BFGS: 648 20:45:11 -1799.151837 0.0004 BFGS: 649 20:45:15 -1799.151876 0.0004 BFGS: 650 20:45:18 -1799.151914 0.0004 BFGS: 651 20:45:21 -1799.151951 0.0004 BFGS: 652 20:45:25 -1799.151986 0.0004 BFGS: 653 20:45:28 -1799.152020 0.0003 BFGS: 654 20:45:32 -1799.152052 0.0003 BFGS: 655 20:45:35 -1799.152083 0.0003 BFGS: 656 20:45:38 -1799.152112 0.0003 BFGS: 657 20:45:42 -1799.152140 0.0003 BFGS: 658 20:45:45 -1799.152167 0.0003 BFGS: 659 20:45:49 -1799.152192 0.0003 BFGS: 660 20:45:53 -1799.152217 0.0003 BFGS: 661 20:45:56 -1799.152240 0.0002 BFGS: 662 20:45:59 -1799.152261 0.0002 BFGS: 663 20:46:03 -1799.152282 0.0002 BFGS: 664 20:46:06 -1799.152302 0.0002 BFGS: 665 20:46:10 -1799.152320 0.0002 BFGS: 666 20:46:13 -1799.152337 0.0002 BFGS: 667 20:46:16 -1799.152354 0.0002 BFGS: 668 20:46:19 -1799.152369 0.0002 BFGS: 669 20:46:23 -1799.152383 0.0002 BFGS: 670 20:46:27 -1799.152397 0.0002 BFGS: 671 20:46:30 -1799.152409 0.0001 BFGS: 672 20:46:34 -1799.152421 0.0001 BFGS: 673 20:46:37 -1799.152432 0.0001 BFGS: 674 20:46:40 -1799.152442 0.0001 BFGS: 675 20:46:43 -1799.152451 0.0001 BFGS: 676 20:46:46 -1799.152460 0.0001 BFGS: 677 20:46:49 -1799.152468 0.0001 BFGS: 678 20:46:52 -1799.152475 0.0001 BFGS: 679 20:46:56 -1799.152481 0.0001 BFGS: 680 20:46:59 -1799.152487 0.0001 BFGS: 681 20:47:02 -1799.152492 0.0001 BFGS: 682 20:47:05 -1799.152497 0.0001 BFGS: 683 20:47:08 -1799.152501 0.0001 BFGS: 684 20:47:11 -1799.152504 0.0001 BFGS: 685 20:47:14 -1799.152508 0.0000 BFGS: 686 20:47:17 -1799.152510 0.0000 BFGS: 687 20:47:20 -1799.152512 0.0000 BFGS: 688 20:47:24 -1799.152514 0.0000 BFGS: 689 20:47:26 -1799.152516 0.0000 BFGS: 690 20:47:29 -1799.152517 0.0000 BFGS: 691 20:47:32 -1799.152518 0.0000 BFGS: 692 20:47:35 -1799.152518 0.0000 BFGS: 693 20:47:38 -1799.152518 0.0000 BFGS: 694 20:47:42 -1799.152518 0.0000 BFGS: 695 20:47:45 -1799.152518 0.0000 BFGS: 696 20:47:48 -1799.152518 0.0000 BFGS: 697 20:47:51 -1799.152518 0.0000 BFGS: 698 20:47:55 -1799.152518 0.0000 BFGS: 699 20:47:57 -1799.152518 0.0000 BFGS: 700 20:48:01 -1799.152518 0.0000 BFGS: 701 20:48:04 -1799.152518 0.0000 BFGS: 702 20:48:07 -1799.152518 0.0000 BFGS: 703 20:48:10 -1799.152518 0.0000 BFGS: 704 20:48:14 -1799.152518 0.0000 Minimization converged after 704 steps. Maximum force component: 3.2946931175035385e-09 eV/Angstrom Maximum stress component: 3.9027256447047005e-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 4.16621779e-02 7.90967239e-01] [0.00000000e+00 9.58337822e-01 7.90967239e-01] [5.34025219e-36 4.16621779e-02 2.09032761e-01] [3.31215477e-36 9.58337822e-01 2.09032761e-01] [7.90967239e-01 1.00000000e+00 4.16621779e-02] [7.90967239e-01 1.00000000e+00 9.58337822e-01] [2.09032761e-01 1.00000000e+00 4.16621779e-02] [2.09032761e-01 1.00000000e+00 9.58337822e-01] [4.16621779e-02 7.90967239e-01 0.00000000e+00] [9.58337822e-01 7.90967239e-01 0.00000000e+00] [4.16621779e-02 2.09032761e-01 6.39293211e-36] [9.58337822e-01 2.09032761e-01 3.04957827e-36] [0.00000000e+00 5.41662178e-01 2.90967239e-01] [0.00000000e+00 4.58337822e-01 2.90967239e-01] [0.00000000e+00 5.41662178e-01 7.09032761e-01] [0.00000000e+00 4.58337822e-01 7.09032761e-01] [7.90967239e-01 5.00000000e-01 5.41662178e-01] [7.90967239e-01 5.00000000e-01 4.58337822e-01] [2.09032761e-01 5.00000000e-01 5.41662178e-01] [2.09032761e-01 5.00000000e-01 4.58337822e-01] [4.16621779e-02 2.90967239e-01 5.00000000e-01] [9.58337822e-01 2.90967239e-01 5.00000000e-01] [4.16621779e-02 7.09032761e-01 5.00000000e-01] [9.58337822e-01 7.09032761e-01 5.00000000e-01] [5.00000000e-01 4.16621779e-02 2.90967239e-01] [5.00000000e-01 9.58337822e-01 2.90967239e-01] [5.00000000e-01 4.16621779e-02 7.09032761e-01] [5.00000000e-01 9.58337822e-01 7.09032761e-01] [2.90967239e-01 1.00000000e+00 5.41662178e-01] [2.90967239e-01 1.00000000e+00 4.58337822e-01] [7.09032761e-01 1.00000000e+00 5.41662178e-01] [7.09032761e-01 1.00000000e+00 4.58337822e-01] [5.41662178e-01 7.90967239e-01 5.00000000e-01] [4.58337822e-01 7.90967239e-01 5.00000000e-01] [5.41662178e-01 2.09032761e-01 5.00000000e-01] [4.58337822e-01 2.09032761e-01 5.00000000e-01] [5.00000000e-01 5.41662178e-01 7.90967239e-01] [5.00000000e-01 4.58337822e-01 7.90967239e-01] [5.00000000e-01 5.41662178e-01 2.09032761e-01] [5.00000000e-01 4.58337822e-01 2.09032761e-01] [2.90967239e-01 5.00000000e-01 4.16621779e-02] [2.90967239e-01 5.00000000e-01 9.58337822e-01] [7.09032761e-01 5.00000000e-01 4.16621779e-02] [7.09032761e-01 5.00000000e-01 9.58337822e-01] [5.41662178e-01 2.90967239e-01 0.00000000e+00] [4.58337822e-01 2.90967239e-01 0.00000000e+00] [5.41662178e-01 7.09032761e-01 6.54523192e-36] [4.58337822e-01 7.09032761e-01 3.25967224e-36] [5.85425731e-01 8.18014689e-01 5.70810926e-01] [4.14574269e-01 1.81985311e-01 5.70810926e-01] [4.14574269e-01 8.18014689e-01 4.29189074e-01] [5.85425731e-01 1.81985311e-01 4.29189074e-01] [5.70810926e-01 5.85425731e-01 8.18014689e-01] [5.70810926e-01 4.14574269e-01 1.81985311e-01] [4.29189074e-01 4.14574269e-01 8.18014689e-01] [4.29189074e-01 5.85425731e-01 1.81985311e-01] [8.18014689e-01 5.70810926e-01 5.85425731e-01] [1.81985311e-01 5.70810926e-01 4.14574269e-01] [8.18014689e-01 4.29189074e-01 4.14574269e-01] [1.81985311e-01 4.29189074e-01 5.85425731e-01] [5.85425731e-01 3.18014689e-01 7.08109256e-02] [4.14574269e-01 6.81985311e-01 7.08109256e-02] [4.14574269e-01 3.18014689e-01 9.29189074e-01] [5.85425731e-01 6.81985311e-01 9.29189074e-01] [5.70810926e-01 8.54257311e-02 3.18014689e-01] [5.70810926e-01 9.14574269e-01 6.81985311e-01] [4.29189074e-01 9.14574269e-01 3.18014689e-01] [4.29189074e-01 8.54257311e-02 6.81985311e-01] [8.18014689e-01 7.08109256e-02 8.54257311e-02] [1.81985311e-01 7.08109256e-02 9.14574269e-01] [8.18014689e-01 9.29189074e-01 9.14574269e-01] [1.81985311e-01 9.29189074e-01 8.54257311e-02] [8.54257311e-02 8.18014689e-01 7.08109256e-02] [9.14574269e-01 1.81985311e-01 7.08109256e-02] [9.14574269e-01 8.18014689e-01 9.29189074e-01] [8.54257311e-02 1.81985311e-01 9.29189074e-01] [7.08109256e-02 5.85425731e-01 3.18014689e-01] [7.08109256e-02 4.14574269e-01 6.81985311e-01] [9.29189074e-01 4.14574269e-01 3.18014689e-01] [9.29189074e-01 5.85425731e-01 6.81985311e-01] [3.18014689e-01 5.70810926e-01 8.54257311e-02] [6.81985311e-01 5.70810926e-01 9.14574269e-01] [3.18014689e-01 4.29189074e-01 9.14574269e-01] [6.81985311e-01 4.29189074e-01 8.54257311e-02] [8.54257311e-02 3.18014689e-01 5.70810926e-01] [9.14574269e-01 6.81985311e-01 5.70810926e-01] [9.14574269e-01 3.18014689e-01 4.29189074e-01] [8.54257311e-02 6.81985311e-01 4.29189074e-01] [7.08109256e-02 8.54257311e-02 8.18014689e-01] [7.08109256e-02 9.14574269e-01 1.81985311e-01] [9.29189074e-01 9.14574269e-01 8.18014689e-01] [9.29189074e-01 8.54257311e-02 1.81985311e-01] [3.18014689e-01 7.08109256e-02 5.85425731e-01] [6.81985311e-01 7.08109256e-02 4.14574269e-01] [3.18014689e-01 9.29189074e-01 4.14574269e-01] [6.81985311e-01 9.29189074e-01 5.85425731e-01] [4.14574269e-01 1.81985311e-01 4.29189074e-01] [5.85425731e-01 8.18014689e-01 4.29189074e-01] [5.85425731e-01 1.81985311e-01 5.70810926e-01] [4.14574269e-01 8.18014689e-01 5.70810926e-01] [4.29189074e-01 4.14574269e-01 1.81985311e-01] [4.29189074e-01 5.85425731e-01 8.18014689e-01] [5.70810926e-01 5.85425731e-01 1.81985311e-01] [5.70810926e-01 4.14574269e-01 8.18014689e-01] [1.81985311e-01 4.29189074e-01 4.14574269e-01] [8.18014689e-01 4.29189074e-01 5.85425731e-01] [1.81985311e-01 5.70810926e-01 5.85425731e-01] [8.18014689e-01 5.70810926e-01 4.14574269e-01] [4.14574269e-01 6.81985311e-01 9.29189074e-01] [5.85425731e-01 3.18014689e-01 9.29189074e-01] [5.85425731e-01 6.81985311e-01 7.08109256e-02] [4.14574269e-01 3.18014689e-01 7.08109256e-02] [4.29189074e-01 9.14574269e-01 6.81985311e-01] [4.29189074e-01 8.54257311e-02 3.18014689e-01] [5.70810926e-01 8.54257311e-02 6.81985311e-01] [5.70810926e-01 9.14574269e-01 3.18014689e-01] [1.81985311e-01 9.29189074e-01 9.14574269e-01] [8.18014689e-01 9.29189074e-01 8.54257311e-02] [1.81985311e-01 7.08109256e-02 8.54257311e-02] [8.18014689e-01 7.08109256e-02 9.14574269e-01] [9.14574269e-01 1.81985311e-01 9.29189074e-01] [8.54257311e-02 8.18014689e-01 9.29189074e-01] [8.54257311e-02 1.81985311e-01 7.08109256e-02] [9.14574269e-01 8.18014689e-01 7.08109256e-02] [9.29189074e-01 4.14574269e-01 6.81985311e-01] [9.29189074e-01 5.85425731e-01 3.18014689e-01] [7.08109256e-02 5.85425731e-01 6.81985311e-01] [7.08109256e-02 4.14574269e-01 3.18014689e-01] [6.81985311e-01 4.29189074e-01 9.14574269e-01] [3.18014689e-01 4.29189074e-01 8.54257311e-02] [6.81985311e-01 5.70810926e-01 8.54257311e-02] [3.18014689e-01 5.70810926e-01 9.14574269e-01] [9.14574269e-01 6.81985311e-01 4.29189074e-01] [8.54257311e-02 3.18014689e-01 4.29189074e-01] [8.54257311e-02 6.81985311e-01 5.70810926e-01] [9.14574269e-01 3.18014689e-01 5.70810926e-01] [9.29189074e-01 9.14574269e-01 1.81985311e-01] [9.29189074e-01 8.54257311e-02 8.18014689e-01] [7.08109256e-02 8.54257311e-02 1.81985311e-01] [7.08109256e-02 9.14574269e-01 8.18014689e-01] [6.81985311e-01 9.29189074e-01 4.14574269e-01] [3.18014689e-01 9.29189074e-01 5.85425731e-01] [6.81985311e-01 7.08109256e-02 5.85425731e-01] [3.18014689e-01 7.08109256e-02 4.14574269e-01] [6.56236621e-01 3.61778296e-01 4.37635413e-02] [3.43763379e-01 6.38221704e-01 4.37635413e-02] [3.43763379e-01 3.61778296e-01 9.56236459e-01] [6.56236621e-01 6.38221704e-01 9.56236459e-01] [4.37635413e-02 6.56236621e-01 3.61778296e-01] [4.37635413e-02 3.43763379e-01 6.38221704e-01] [9.56236459e-01 3.43763379e-01 3.61778296e-01] [9.56236459e-01 6.56236621e-01 6.38221704e-01] [3.61778296e-01 4.37635413e-02 6.56236621e-01] [6.38221704e-01 4.37635413e-02 3.43763379e-01] [3.61778296e-01 9.56236459e-01 3.43763379e-01] [6.38221704e-01 9.56236459e-01 6.56236621e-01] [6.56236621e-01 8.61778296e-01 5.43763541e-01] [3.43763379e-01 1.38221704e-01 5.43763541e-01] [3.43763379e-01 8.61778296e-01 4.56236459e-01] [6.56236621e-01 1.38221704e-01 4.56236459e-01] [4.37635413e-02 1.56236621e-01 8.61778296e-01] [4.37635413e-02 8.43763379e-01 1.38221704e-01] [9.56236459e-01 8.43763379e-01 8.61778296e-01] [9.56236459e-01 1.56236621e-01 1.38221704e-01] [3.61778296e-01 5.43763541e-01 1.56236621e-01] [6.38221704e-01 5.43763541e-01 8.43763379e-01] [3.61778296e-01 4.56236459e-01 8.43763379e-01] [6.38221704e-01 4.56236459e-01 1.56236621e-01] [1.56236621e-01 3.61778296e-01 5.43763541e-01] [8.43763379e-01 6.38221704e-01 5.43763541e-01] [8.43763379e-01 3.61778296e-01 4.56236459e-01] [1.56236621e-01 6.38221704e-01 4.56236459e-01] [5.43763541e-01 6.56236621e-01 8.61778296e-01] [5.43763541e-01 3.43763379e-01 1.38221704e-01] [4.56236459e-01 3.43763379e-01 8.61778296e-01] [4.56236459e-01 6.56236621e-01 1.38221704e-01] [8.61778296e-01 4.37635413e-02 1.56236621e-01] [1.38221704e-01 4.37635413e-02 8.43763379e-01] [8.61778296e-01 9.56236459e-01 8.43763379e-01] [1.38221704e-01 9.56236459e-01 1.56236621e-01] [1.56236621e-01 8.61778296e-01 4.37635413e-02] [8.43763379e-01 1.38221704e-01 4.37635413e-02] [8.43763379e-01 8.61778296e-01 9.56236459e-01] [1.56236621e-01 1.38221704e-01 9.56236459e-01] [5.43763541e-01 1.56236621e-01 3.61778296e-01] [5.43763541e-01 8.43763379e-01 6.38221704e-01] [4.56236459e-01 8.43763379e-01 3.61778296e-01] [4.56236459e-01 1.56236621e-01 6.38221704e-01] [8.61778296e-01 5.43763541e-01 6.56236621e-01] [1.38221704e-01 5.43763541e-01 3.43763379e-01] [8.61778296e-01 4.56236459e-01 3.43763379e-01] [1.38221704e-01 4.56236459e-01 6.56236621e-01] [3.43763379e-01 6.38221704e-01 9.56236459e-01] [6.56236621e-01 3.61778296e-01 9.56236459e-01] [6.56236621e-01 6.38221704e-01 4.37635413e-02] [3.43763379e-01 3.61778296e-01 4.37635413e-02] [9.56236459e-01 3.43763379e-01 6.38221704e-01] [9.56236459e-01 6.56236621e-01 3.61778296e-01] [4.37635413e-02 6.56236621e-01 6.38221704e-01] [4.37635413e-02 3.43763379e-01 3.61778296e-01] [6.38221704e-01 9.56236459e-01 3.43763379e-01] [3.61778296e-01 9.56236459e-01 6.56236621e-01] [6.38221704e-01 4.37635413e-02 6.56236621e-01] [3.61778296e-01 4.37635413e-02 3.43763379e-01] [3.43763379e-01 1.38221704e-01 4.56236459e-01] [6.56236621e-01 8.61778296e-01 4.56236459e-01] [6.56236621e-01 1.38221704e-01 5.43763541e-01] [3.43763379e-01 8.61778296e-01 5.43763541e-01] [9.56236459e-01 8.43763379e-01 1.38221704e-01] [9.56236459e-01 1.56236621e-01 8.61778296e-01] [4.37635413e-02 1.56236621e-01 1.38221704e-01] [4.37635413e-02 8.43763379e-01 8.61778296e-01] [6.38221704e-01 4.56236459e-01 8.43763379e-01] [3.61778296e-01 4.56236459e-01 1.56236621e-01] [6.38221704e-01 5.43763541e-01 1.56236621e-01] [3.61778296e-01 5.43763541e-01 8.43763379e-01] [8.43763379e-01 6.38221704e-01 4.56236459e-01] [1.56236621e-01 3.61778296e-01 4.56236459e-01] [1.56236621e-01 6.38221704e-01 5.43763541e-01] [8.43763379e-01 3.61778296e-01 5.43763541e-01] [4.56236459e-01 3.43763379e-01 1.38221704e-01] [4.56236459e-01 6.56236621e-01 8.61778296e-01] [5.43763541e-01 6.56236621e-01 1.38221704e-01] [5.43763541e-01 3.43763379e-01 8.61778296e-01] [1.38221704e-01 9.56236459e-01 8.43763379e-01] [8.61778296e-01 9.56236459e-01 1.56236621e-01] [1.38221704e-01 4.37635413e-02 1.56236621e-01] [8.61778296e-01 4.37635413e-02 8.43763379e-01] [8.43763379e-01 1.38221704e-01 9.56236459e-01] [1.56236621e-01 8.61778296e-01 9.56236459e-01] [1.56236621e-01 1.38221704e-01 4.37635413e-02] [8.43763379e-01 8.61778296e-01 4.37635413e-02] [4.56236459e-01 8.43763379e-01 6.38221704e-01] [4.56236459e-01 1.56236621e-01 3.61778296e-01] [5.43763541e-01 1.56236621e-01 6.38221704e-01] [5.43763541e-01 8.43763379e-01 3.61778296e-01] [1.38221704e-01 4.56236459e-01 3.43763379e-01] [8.61778296e-01 4.56236459e-01 6.56236621e-01] [1.38221704e-01 5.43763541e-01 6.56236621e-01] [8.61778296e-01 5.43763541e-01 3.43763379e-01]] cellpar = Cell([[17.01909573642487, -6.117399360607489e-38, 0.0], [-4.935664170293187e-37, 17.01909573642487, 0.0], [0.0, 0.0, 17.01909573642487]]) forces = [[-5.19507577e-47 1.79135956e-09 -4.42986453e-10] [-5.59404136e-31 -1.79135956e-09 -4.42986453e-10] [-5.19507577e-47 1.79135956e-09 4.42986453e-10] [ 5.19507577e-47 -1.79135956e-09 4.42986453e-10] [-4.42986453e-10 1.59228498e-48 1.79135956e-09] [-4.42986453e-10 -5.59404136e-31 -1.79135956e-09] [ 4.42986453e-10 -1.59228498e-48 1.79135956e-09] [ 4.42986453e-10 -1.59228498e-48 -1.79135956e-09] [ 1.79135956e-09 -4.42986453e-10 0.00000000e+00] [-1.79135956e-09 -4.42986453e-10 -5.59404136e-31] [ 1.79135956e-09 4.42986453e-10 0.00000000e+00] [-1.79135956e-09 4.42986453e-10 0.00000000e+00] [-5.19507577e-47 1.79135956e-09 -4.42986453e-10] [-5.59404136e-31 -1.79135956e-09 -4.42986453e-10] [-5.19507577e-47 1.79135956e-09 4.42986453e-10] [ 5.19507577e-47 -1.79135956e-09 4.42986453e-10] [-4.42986453e-10 1.59228498e-48 1.79135956e-09] [-4.42986453e-10 -5.59404136e-31 -1.79135956e-09] [ 4.42986453e-10 -1.59228498e-48 1.79135956e-09] [ 4.42986453e-10 -1.59228498e-48 -1.79135956e-09] [ 1.79135956e-09 -4.42986453e-10 0.00000000e+00] [-1.79135956e-09 -4.42986453e-10 -5.59404136e-31] [ 1.79135956e-09 4.42986453e-10 0.00000000e+00] [-1.79135956e-09 4.42986453e-10 0.00000000e+00] [-5.19507577e-47 1.79135956e-09 -4.42986453e-10] [-5.59404136e-31 -1.79135956e-09 -4.42986453e-10] [-5.19507577e-47 1.79135956e-09 4.42986453e-10] [ 5.19507577e-47 -1.79135956e-09 4.42986453e-10] [-4.42986453e-10 1.59228498e-48 1.79135956e-09] [-4.42986453e-10 -5.59404136e-31 -1.79135956e-09] [ 4.42986453e-10 -1.59228498e-48 1.79135956e-09] [ 4.42986453e-10 -1.59228498e-48 -1.79135956e-09] [ 1.79135956e-09 -4.42986453e-10 0.00000000e+00] [-1.79135956e-09 -4.42986453e-10 -5.59404136e-31] [ 1.79135956e-09 4.42986453e-10 0.00000000e+00] [-1.79135956e-09 4.42986453e-10 0.00000000e+00] [-5.19507577e-47 1.79135956e-09 -4.42986453e-10] [-5.59404136e-31 -1.79135956e-09 -4.42986453e-10] [-5.19507577e-47 1.79135956e-09 4.42986453e-10] [ 5.19507577e-47 -1.79135956e-09 4.42986453e-10] [-4.42986453e-10 1.59228498e-48 1.79135956e-09] [-4.42986453e-10 -5.59404136e-31 -1.79135956e-09] [ 4.42986453e-10 -1.59228498e-48 1.79135956e-09] [ 4.42986453e-10 -1.59228498e-48 -1.79135956e-09] [ 1.79135956e-09 -4.42986453e-10 0.00000000e+00] [-1.79135956e-09 -4.42986453e-10 -5.59404136e-31] [ 1.79135956e-09 4.42986453e-10 0.00000000e+00] [-1.79135956e-09 4.42986453e-10 0.00000000e+00] [ 3.29469312e-09 1.20384773e-09 8.21963886e-10] [-3.29469312e-09 -1.20384773e-09 8.21963886e-10] [-3.29469312e-09 1.20384773e-09 -8.21963886e-10] [ 3.29469312e-09 -1.20384773e-09 -8.21963886e-10] [ 8.21963886e-10 3.29469312e-09 1.20384773e-09] [ 8.21963886e-10 -3.29469312e-09 -1.20384773e-09] [-8.21963886e-10 -3.29469312e-09 1.20384773e-09] [-8.21963886e-10 3.29469312e-09 -1.20384773e-09] [ 1.20384773e-09 8.21963886e-10 3.29469312e-09] [-1.20384773e-09 8.21963886e-10 -3.29469312e-09] [ 1.20384773e-09 -8.21963886e-10 -3.29469312e-09] [-1.20384773e-09 -8.21963886e-10 3.29469312e-09] [ 3.29469312e-09 1.20384773e-09 8.21963886e-10] [-3.29469312e-09 -1.20384773e-09 8.21963886e-10] [-3.29469312e-09 1.20384773e-09 -8.21963886e-10] [ 3.29469312e-09 -1.20384773e-09 -8.21963886e-10] [ 8.21963886e-10 3.29469312e-09 1.20384773e-09] [ 8.21963886e-10 -3.29469312e-09 -1.20384773e-09] [-8.21963886e-10 -3.29469312e-09 1.20384773e-09] [-8.21963886e-10 3.29469312e-09 -1.20384773e-09] [ 1.20384773e-09 8.21963886e-10 3.29469312e-09] [-1.20384773e-09 8.21963886e-10 -3.29469312e-09] [ 1.20384773e-09 -8.21963886e-10 -3.29469312e-09] [-1.20384773e-09 -8.21963886e-10 3.29469312e-09] [ 3.29469312e-09 1.20384773e-09 8.21963886e-10] [-3.29469312e-09 -1.20384773e-09 8.21963886e-10] [-3.29469312e-09 1.20384773e-09 -8.21963886e-10] [ 3.29469312e-09 -1.20384773e-09 -8.21963886e-10] [ 8.21963886e-10 3.29469312e-09 1.20384773e-09] [ 8.21963886e-10 -3.29469312e-09 -1.20384773e-09] [-8.21963886e-10 -3.29469312e-09 1.20384773e-09] [-8.21963886e-10 3.29469312e-09 -1.20384773e-09] [ 1.20384773e-09 8.21963886e-10 3.29469312e-09] [-1.20384773e-09 8.21963886e-10 -3.29469312e-09] [ 1.20384773e-09 -8.21963886e-10 -3.29469312e-09] [-1.20384773e-09 -8.21963886e-10 3.29469312e-09] [ 3.29469312e-09 1.20384773e-09 8.21963886e-10] [-3.29469312e-09 -1.20384773e-09 8.21963886e-10] [-3.29469312e-09 1.20384773e-09 -8.21963886e-10] [ 3.29469312e-09 -1.20384773e-09 -8.21963886e-10] [ 8.21963886e-10 3.29469312e-09 1.20384773e-09] [ 8.21963886e-10 -3.29469312e-09 -1.20384773e-09] [-8.21963886e-10 -3.29469312e-09 1.20384773e-09] [-8.21963886e-10 3.29469312e-09 -1.20384773e-09] [ 1.20384773e-09 8.21963886e-10 3.29469312e-09] [-1.20384773e-09 8.21963886e-10 -3.29469312e-09] [ 1.20384773e-09 -8.21963886e-10 -3.29469312e-09] [-1.20384773e-09 -8.21963886e-10 3.29469312e-09] [-3.29469312e-09 -1.20384773e-09 -8.21963886e-10] [ 3.29469312e-09 1.20384773e-09 -8.21963886e-10] [ 3.29469312e-09 -1.20384773e-09 8.21963886e-10] [-3.29469312e-09 1.20384773e-09 8.21963886e-10] [-8.21963886e-10 -3.29469312e-09 -1.20384773e-09] [-8.21963886e-10 3.29469312e-09 1.20384773e-09] [ 8.21963886e-10 3.29469312e-09 -1.20384773e-09] [ 8.21963886e-10 -3.29469312e-09 1.20384773e-09] [-1.20384773e-09 -8.21963886e-10 -3.29469312e-09] [ 1.20384773e-09 -8.21963886e-10 3.29469312e-09] [-1.20384773e-09 8.21963886e-10 3.29469312e-09] [ 1.20384773e-09 8.21963886e-10 -3.29469312e-09] [-3.29469312e-09 -1.20384773e-09 -8.21963886e-10] [ 3.29469312e-09 1.20384773e-09 -8.21963886e-10] [ 3.29469312e-09 -1.20384773e-09 8.21963886e-10] [-3.29469312e-09 1.20384773e-09 8.21963886e-10] [-8.21963886e-10 -3.29469312e-09 -1.20384773e-09] [-8.21963886e-10 3.29469312e-09 1.20384773e-09] [ 8.21963886e-10 3.29469312e-09 -1.20384773e-09] [ 8.21963886e-10 -3.29469312e-09 1.20384773e-09] [-1.20384773e-09 -8.21963886e-10 -3.29469312e-09] [ 1.20384773e-09 -8.21963886e-10 3.29469312e-09] [-1.20384773e-09 8.21963886e-10 3.29469312e-09] [ 1.20384773e-09 8.21963886e-10 -3.29469312e-09] [-3.29469312e-09 -1.20384773e-09 -8.21963886e-10] [ 3.29469312e-09 1.20384773e-09 -8.21963886e-10] [ 3.29469312e-09 -1.20384773e-09 8.21963886e-10] [-3.29469312e-09 1.20384773e-09 8.21963886e-10] [-8.21963886e-10 -3.29469312e-09 -1.20384773e-09] [-8.21963886e-10 3.29469312e-09 1.20384773e-09] [ 8.21963886e-10 3.29469312e-09 -1.20384773e-09] [ 8.21963886e-10 -3.29469312e-09 1.20384773e-09] [-1.20384773e-09 -8.21963886e-10 -3.29469312e-09] [ 1.20384773e-09 -8.21963886e-10 3.29469312e-09] [-1.20384773e-09 8.21963886e-10 3.29469312e-09] [ 1.20384773e-09 8.21963886e-10 -3.29469312e-09] [-3.29469312e-09 -1.20384773e-09 -8.21963886e-10] [ 3.29469312e-09 1.20384773e-09 -8.21963886e-10] [ 3.29469312e-09 -1.20384773e-09 8.21963886e-10] [-3.29469312e-09 1.20384773e-09 8.21963886e-10] [-8.21963886e-10 -3.29469312e-09 -1.20384773e-09] [-8.21963886e-10 3.29469312e-09 1.20384773e-09] [ 8.21963886e-10 3.29469312e-09 -1.20384773e-09] [ 8.21963886e-10 -3.29469312e-09 1.20384773e-09] [-1.20384773e-09 -8.21963886e-10 -3.29469312e-09] [ 1.20384773e-09 -8.21963886e-10 3.29469312e-09] [-1.20384773e-09 8.21963886e-10 3.29469312e-09] [ 1.20384773e-09 8.21963886e-10 -3.29469312e-09] [-1.51215873e-09 -1.02796416e-09 -3.24365920e-09] [ 1.51215873e-09 1.02796416e-09 -3.24365920e-09] [ 1.51215873e-09 -1.02796416e-09 3.24365920e-09] [-1.51215873e-09 1.02796416e-09 3.24365920e-09] [-3.24365920e-09 -1.51215873e-09 -1.02796416e-09] [-3.24365920e-09 1.51215873e-09 1.02796416e-09] [ 3.24365920e-09 1.51215873e-09 -1.02796416e-09] [ 3.24365920e-09 -1.51215873e-09 1.02796416e-09] [-1.02796416e-09 -3.24365920e-09 -1.51215873e-09] [ 1.02796416e-09 -3.24365920e-09 1.51215873e-09] [-1.02796416e-09 3.24365920e-09 1.51215873e-09] [ 1.02796416e-09 3.24365920e-09 -1.51215873e-09] [-1.51215873e-09 -1.02796416e-09 -3.24365920e-09] [ 1.51215873e-09 1.02796416e-09 -3.24365920e-09] [ 1.51215873e-09 -1.02796416e-09 3.24365920e-09] [-1.51215873e-09 1.02796416e-09 3.24365920e-09] [-3.24365920e-09 -1.51215873e-09 -1.02796416e-09] [-3.24365920e-09 1.51215873e-09 1.02796416e-09] [ 3.24365920e-09 1.51215873e-09 -1.02796416e-09] [ 3.24365920e-09 -1.51215873e-09 1.02796416e-09] [-1.02796416e-09 -3.24365920e-09 -1.51215873e-09] [ 1.02796416e-09 -3.24365920e-09 1.51215873e-09] [-1.02796416e-09 3.24365920e-09 1.51215873e-09] [ 1.02796416e-09 3.24365920e-09 -1.51215873e-09] [-1.51215873e-09 -1.02796416e-09 -3.24365920e-09] [ 1.51215873e-09 1.02796416e-09 -3.24365920e-09] [ 1.51215873e-09 -1.02796416e-09 3.24365920e-09] [-1.51215873e-09 1.02796416e-09 3.24365920e-09] [-3.24365920e-09 -1.51215873e-09 -1.02796416e-09] [-3.24365920e-09 1.51215873e-09 1.02796416e-09] [ 3.24365920e-09 1.51215873e-09 -1.02796416e-09] [ 3.24365920e-09 -1.51215873e-09 1.02796416e-09] [-1.02796416e-09 -3.24365920e-09 -1.51215873e-09] [ 1.02796416e-09 -3.24365920e-09 1.51215873e-09] [-1.02796416e-09 3.24365920e-09 1.51215873e-09] [ 1.02796416e-09 3.24365920e-09 -1.51215873e-09] [-1.51215873e-09 -1.02796416e-09 -3.24365920e-09] [ 1.51215873e-09 1.02796416e-09 -3.24365920e-09] [ 1.51215873e-09 -1.02796416e-09 3.24365920e-09] [-1.51215873e-09 1.02796416e-09 3.24365920e-09] [-3.24365920e-09 -1.51215873e-09 -1.02796416e-09] [-3.24365920e-09 1.51215873e-09 1.02796416e-09] [ 3.24365920e-09 1.51215873e-09 -1.02796416e-09] [ 3.24365920e-09 -1.51215873e-09 1.02796416e-09] [-1.02796416e-09 -3.24365920e-09 -1.51215873e-09] [ 1.02796416e-09 -3.24365920e-09 1.51215873e-09] [-1.02796416e-09 3.24365920e-09 1.51215873e-09] [ 1.02796416e-09 3.24365920e-09 -1.51215873e-09] [ 1.51215873e-09 1.02796416e-09 3.24365920e-09] [-1.51215873e-09 -1.02796416e-09 3.24365920e-09] [-1.51215873e-09 1.02796416e-09 -3.24365920e-09] [ 1.51215873e-09 -1.02796416e-09 -3.24365920e-09] [ 3.24365920e-09 1.51215873e-09 1.02796416e-09] [ 3.24365920e-09 -1.51215873e-09 -1.02796416e-09] [-3.24365920e-09 -1.51215873e-09 1.02796416e-09] [-3.24365920e-09 1.51215873e-09 -1.02796416e-09] [ 1.02796416e-09 3.24365920e-09 1.51215873e-09] [-1.02796416e-09 3.24365920e-09 -1.51215873e-09] [ 1.02796416e-09 -3.24365920e-09 -1.51215873e-09] [-1.02796416e-09 -3.24365920e-09 1.51215873e-09] [ 1.51215873e-09 1.02796416e-09 3.24365920e-09] [-1.51215873e-09 -1.02796416e-09 3.24365920e-09] [-1.51215873e-09 1.02796416e-09 -3.24365920e-09] [ 1.51215873e-09 -1.02796416e-09 -3.24365920e-09] [ 3.24365920e-09 1.51215873e-09 1.02796416e-09] [ 3.24365920e-09 -1.51215873e-09 -1.02796416e-09] [-3.24365920e-09 -1.51215873e-09 1.02796416e-09] [-3.24365920e-09 1.51215873e-09 -1.02796416e-09] [ 1.02796416e-09 3.24365920e-09 1.51215873e-09] [-1.02796416e-09 3.24365920e-09 -1.51215873e-09] [ 1.02796416e-09 -3.24365920e-09 -1.51215873e-09] [-1.02796416e-09 -3.24365920e-09 1.51215873e-09] [ 1.51215873e-09 1.02796416e-09 3.24365920e-09] [-1.51215873e-09 -1.02796416e-09 3.24365920e-09] [-1.51215873e-09 1.02796416e-09 -3.24365920e-09] [ 1.51215873e-09 -1.02796416e-09 -3.24365920e-09] [ 3.24365920e-09 1.51215873e-09 1.02796416e-09] [ 3.24365920e-09 -1.51215873e-09 -1.02796416e-09] [-3.24365920e-09 -1.51215873e-09 1.02796416e-09] [-3.24365920e-09 1.51215873e-09 -1.02796416e-09] [ 1.02796416e-09 3.24365920e-09 1.51215873e-09] [-1.02796416e-09 3.24365920e-09 -1.51215873e-09] [ 1.02796416e-09 -3.24365920e-09 -1.51215873e-09] [-1.02796416e-09 -3.24365920e-09 1.51215873e-09] [ 1.51215873e-09 1.02796416e-09 3.24365920e-09] [-1.51215873e-09 -1.02796416e-09 3.24365920e-09] [-1.51215873e-09 1.02796416e-09 -3.24365920e-09] [ 1.51215873e-09 -1.02796416e-09 -3.24365920e-09] [ 3.24365920e-09 1.51215873e-09 1.02796416e-09] [ 3.24365920e-09 -1.51215873e-09 -1.02796416e-09] [-3.24365920e-09 -1.51215873e-09 1.02796416e-09] [-3.24365920e-09 1.51215873e-09 -1.02796416e-09] [ 1.02796416e-09 3.24365920e-09 1.51215873e-09] [-1.02796416e-09 3.24365920e-09 -1.51215873e-09] [ 1.02796416e-09 -3.24365920e-09 -1.51215873e-09] [-1.02796416e-09 -3.24365920e-09 1.51215873e-09]] stress = [3.90272564e-12 3.90272564e-12 3.90272564e-12 0.00000000e+00 0.00000000e+00 4.53916762e-34] energy per atom = -0.18274355315534857 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0