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_2019v1_C__MO_584345505904_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 18:25:15 -1777.266735 0.0986 BFGS: 1 18:25:18 -1777.294403 0.0945 BFGS: 2 18:25:21 -1777.486535 0.1892 BFGS: 3 18:25:24 -1777.554039 0.1168 BFGS: 4 18:25:28 -1777.609763 0.1056 BFGS: 5 18:25:36 -1778.275643 0.3823 BFGS: 6 18:25:45 -1778.818125 1.1852 BFGS: 7 18:25:53 -1779.537417 2.1695 BFGS: 8 18:26:02 -1782.286835 1.9852 BFGS: 9 18:26:09 -1786.419003 0.8096 BFGS: 10 18:26:18 -1787.367615 0.4482 BFGS: 11 18:26:27 -1788.383012 0.3598 BFGS: 12 18:26:34 -1788.964509 0.3545 BFGS: 13 18:26:40 -1789.266362 0.3307 BFGS: 14 18:26:45 -1789.959670 0.3754 BFGS: 15 18:26:51 -1790.683983 0.4582 BFGS: 16 18:26:58 -1791.456309 0.5068 BFGS: 17 18:27:06 -1792.272186 0.5368 BFGS: 18 18:27:12 -1793.130972 0.5521 BFGS: 19 18:27:19 -1794.028896 0.5553 BFGS: 20 18:27:25 -1794.950026 0.5799 BFGS: 21 18:27:33 -1795.868727 0.5849 BFGS: 22 18:27:40 -1796.754145 0.5652 BFGS: 23 18:27:48 -1797.568925 0.5166 BFGS: 24 18:27:57 -1798.266002 0.4351 BFGS: 25 18:28:05 -1798.790552 0.3185 BFGS: 26 18:28:12 -1799.091891 0.1673 BFGS: 27 18:28:18 -1799.162481 0.0797 BFGS: 28 18:28:24 -1799.183921 0.0942 BFGS: 29 18:28:30 -1799.291637 0.1366 BFGS: 30 18:28:39 -1799.358042 0.1250 BFGS: 31 18:28:47 -1799.410897 0.0862 BFGS: 32 18:28:54 -1799.433506 0.0619 BFGS: 33 18:29:02 -1799.446701 0.0465 BFGS: 34 18:29:11 -1799.453630 0.0308 BFGS: 35 18:29:19 -1799.457166 0.0226 BFGS: 36 18:29:26 -1799.459116 0.0206 BFGS: 37 18:29:30 -1799.460658 0.0205 BFGS: 38 18:29:35 -1799.462318 0.0205 BFGS: 39 18:29:39 -1799.464461 0.0207 BFGS: 40 18:29:43 -1799.467167 0.0214 BFGS: 41 18:29:48 -1799.469704 0.0229 BFGS: 42 18:29:54 -1799.471009 0.0244 BFGS: 43 18:30:00 -1799.471320 0.0252 BFGS: 44 18:30:07 -1799.471389 0.0255 BFGS: 45 18:30:12 -1799.471467 0.0256 BFGS: 46 18:30:17 -1799.471664 0.0259 BFGS: 47 18:30:21 -1799.472152 0.0264 BFGS: 48 18:30:28 -1799.473389 0.0270 BFGS: 49 18:30:35 -1799.475756 0.0274 BFGS: 50 18:30:43 -1799.478321 0.0301 BFGS: 51 18:30:50 -1799.481095 0.0326 BFGS: 52 18:30:55 -1799.483996 0.0334 BFGS: 53 18:31:02 -1799.486929 0.0330 BFGS: 54 18:31:10 -1799.489801 0.0317 BFGS: 55 18:31:16 -1799.492525 0.0296 BFGS: 56 18:31:21 -1799.495023 0.0268 BFGS: 57 18:31:26 -1799.497227 0.0234 BFGS: 58 18:31:32 -1799.499082 0.0225 BFGS: 59 18:31:40 -1799.500549 0.0216 BFGS: 60 18:31:45 -1799.501604 0.0206 BFGS: 61 18:31:53 -1799.502260 0.0196 BFGS: 62 18:32:00 -1799.502606 0.0189 BFGS: 63 18:32:04 -1799.503045 0.0183 BFGS: 64 18:32:09 -1799.504215 0.0174 BFGS: 65 18:32:15 -1799.505798 0.0171 BFGS: 66 18:32:20 -1799.507752 0.0195 BFGS: 67 18:32:26 -1799.509989 0.0223 BFGS: 68 18:32:29 -1799.512440 0.0246 BFGS: 69 18:32:34 -1799.515052 0.0267 BFGS: 70 18:32:40 -1799.517791 0.0287 BFGS: 71 18:32:46 -1799.520632 0.0305 BFGS: 72 18:32:53 -1799.523557 0.0319 BFGS: 73 18:32:57 -1799.526553 0.0332 BFGS: 74 18:33:03 -1799.529610 0.0342 BFGS: 75 18:33:08 -1799.532719 0.0351 BFGS: 76 18:33:13 -1799.535874 0.0358 BFGS: 77 18:33:17 -1799.539069 0.0364 BFGS: 78 18:33:22 -1799.542299 0.0369 BFGS: 79 18:33:27 -1799.545559 0.0373 BFGS: 80 18:33:32 -1799.548846 0.0377 BFGS: 81 18:33:38 -1799.552157 0.0379 BFGS: 82 18:33:42 -1799.555487 0.0381 BFGS: 83 18:33:49 -1799.558836 0.0382 BFGS: 84 18:33:53 -1799.562200 0.0383 BFGS: 85 18:33:58 -1799.565577 0.0384 BFGS: 86 18:34:02 -1799.568967 0.0384 BFGS: 87 18:34:06 -1799.572368 0.0384 BFGS: 88 18:34:11 -1799.575779 0.0383 BFGS: 89 18:34:15 -1799.579198 0.0383 BFGS: 90 18:34:21 -1799.582625 0.0382 BFGS: 91 18:34:26 -1799.586059 0.0381 BFGS: 92 18:34:31 -1799.589503 0.0380 BFGS: 93 18:34:35 -1799.592954 0.0379 BFGS: 94 18:34:41 -1799.596415 0.0378 BFGS: 95 18:34:47 -1799.599885 0.0377 BFGS: 96 18:34:53 -1799.603366 0.0376 BFGS: 97 18:35:00 -1799.606857 0.0376 BFGS: 98 18:35:05 -1799.610359 0.0375 BFGS: 99 18:35:13 -1799.613873 0.0375 BFGS: 100 18:35:17 -1799.617400 0.0374 BFGS: 101 18:35:22 -1799.620937 0.0374 BFGS: 102 18:35:27 -1799.624484 0.0374 BFGS: 103 18:35:33 -1799.628042 0.0374 BFGS: 104 18:35:39 -1799.631613 0.0374 BFGS: 105 18:35:43 -1799.635196 0.0375 BFGS: 106 18:35:49 -1799.638792 0.0376 BFGS: 107 18:35:53 -1799.642398 0.0377 BFGS: 108 18:35:58 -1799.646015 0.0378 BFGS: 109 18:36:02 -1799.649641 0.0379 BFGS: 110 18:36:07 -1799.653275 0.0381 BFGS: 111 18:36:12 -1799.656914 0.0383 BFGS: 112 18:36:17 -1799.660556 0.0385 BFGS: 113 18:36:21 -1799.664201 0.0386 BFGS: 114 18:36:26 -1799.667846 0.0389 BFGS: 115 18:36:32 -1799.671489 0.0391 BFGS: 116 18:36:36 -1799.675130 0.0393 BFGS: 117 18:36:42 -1799.678767 0.0395 BFGS: 118 18:36:47 -1799.682399 0.0398 BFGS: 119 18:36:52 -1799.686024 0.0400 BFGS: 120 18:37:00 -1799.689642 0.0402 BFGS: 121 18:37:04 -1799.693252 0.0404 BFGS: 122 18:37:09 -1799.696853 0.0407 BFGS: 123 18:37:14 -1799.700445 0.0409 BFGS: 124 18:37:18 -1799.704028 0.0411 BFGS: 125 18:37:24 -1799.707599 0.0413 BFGS: 126 18:37:29 -1799.711161 0.0415 BFGS: 127 18:37:35 -1799.714711 0.0416 BFGS: 128 18:37:41 -1799.718250 0.0418 BFGS: 129 18:37:45 -1799.721778 0.0420 BFGS: 130 18:37:49 -1799.725294 0.0421 BFGS: 131 18:37:53 -1799.728799 0.0422 BFGS: 132 18:37:59 -1799.732292 0.0424 BFGS: 133 18:38:03 -1799.735774 0.0425 BFGS: 134 18:38:08 -1799.739243 0.0426 BFGS: 135 18:38:13 -1799.742701 0.0427 BFGS: 136 18:38:20 -1799.746148 0.0428 BFGS: 137 18:38:27 -1799.749568 0.0428 BFGS: 138 18:38:32 -1799.752962 0.0429 BFGS: 139 18:38:37 -1799.756336 0.0430 BFGS: 140 18:38:42 -1799.759688 0.0431 BFGS: 141 18:38:47 -1799.763022 0.0431 BFGS: 142 18:38:52 -1799.766341 0.0432 BFGS: 143 18:38:57 -1799.769649 0.0433 BFGS: 144 18:39:02 -1799.772948 0.0434 BFGS: 145 18:39:07 -1799.776238 0.0434 BFGS: 146 18:39:11 -1799.779522 0.0435 BFGS: 147 18:39:15 -1799.782794 0.0436 BFGS: 148 18:39:19 -1799.786055 0.0436 BFGS: 149 18:39:25 -1799.789309 0.0437 BFGS: 150 18:39:31 -1799.792558 0.0438 BFGS: 151 18:39:37 -1799.795803 0.0439 BFGS: 152 18:39:41 -1799.799046 0.0440 BFGS: 153 18:39:46 -1799.802287 0.0441 BFGS: 154 18:39:50 -1799.805525 0.0442 BFGS: 155 18:39:54 -1799.808737 0.0443 BFGS: 156 18:39:59 -1799.811938 0.0443 BFGS: 157 18:40:04 -1799.815134 0.0444 BFGS: 158 18:40:08 -1799.818325 0.0444 BFGS: 159 18:40:12 -1799.821511 0.0444 BFGS: 160 18:40:17 -1799.824694 0.0444 BFGS: 161 18:40:24 -1799.827873 0.0445 BFGS: 162 18:40:29 -1799.831049 0.0445 BFGS: 163 18:40:33 -1799.834223 0.0445 BFGS: 164 18:40:38 -1799.837395 0.0446 BFGS: 165 18:40:44 -1799.840567 0.0447 BFGS: 166 18:40:50 -1799.843738 0.0447 BFGS: 167 18:40:56 -1799.846911 0.0448 BFGS: 168 18:41:00 -1799.850086 0.0449 BFGS: 169 18:41:05 -1799.853265 0.0450 BFGS: 170 18:41:10 -1799.856448 0.0452 BFGS: 171 18:41:15 -1799.859638 0.0453 BFGS: 172 18:41:20 -1799.862834 0.0455 BFGS: 173 18:41:25 -1799.866040 0.0456 BFGS: 174 18:41:30 -1799.869256 0.0458 BFGS: 175 18:41:34 -1799.872483 0.0460 BFGS: 176 18:41:38 -1799.875722 0.0463 BFGS: 177 18:41:44 -1799.878976 0.0465 BFGS: 178 18:41:48 -1799.882244 0.0468 BFGS: 179 18:41:54 -1799.885529 0.0470 BFGS: 180 18:41:58 -1799.888829 0.0474 BFGS: 181 18:42:04 -1799.892144 0.0477 BFGS: 182 18:42:16 -1799.895453 0.0480 BFGS: 183 18:42:20 -1799.898759 0.0484 BFGS: 184 18:42:24 -1799.902066 0.0487 BFGS: 185 18:42:28 -1799.905378 0.0491 BFGS: 186 18:42:35 -1799.908692 0.0495 BFGS: 187 18:42:39 -1799.912009 0.0499 BFGS: 188 18:42:42 -1799.915325 0.0503 BFGS: 189 18:42:47 -1799.918640 0.0508 BFGS: 190 18:42:51 -1799.921951 0.0512 BFGS: 191 18:42:56 -1799.925259 0.0517 BFGS: 192 18:43:02 -1799.928562 0.0522 BFGS: 193 18:43:06 -1799.931851 0.0527 BFGS: 194 18:43:13 -1799.935131 0.0532 BFGS: 195 18:43:19 -1799.938400 0.0537 BFGS: 196 18:43:25 -1799.941657 0.0542 BFGS: 197 18:43:30 -1799.944903 0.0547 BFGS: 198 18:43:34 -1799.948137 0.0552 BFGS: 199 18:43:38 -1799.951360 0.0556 BFGS: 200 18:43:42 -1799.954576 0.0561 BFGS: 201 18:43:47 -1799.957786 0.0565 BFGS: 202 18:43:52 -1799.960993 0.0569 BFGS: 203 18:43:57 -1799.964202 0.0572 BFGS: 204 18:44:02 -1799.967415 0.0575 BFGS: 205 18:44:06 -1799.970637 0.0577 BFGS: 206 18:44:11 -1799.973870 0.0579 BFGS: 207 18:44:15 -1799.977118 0.0581 BFGS: 208 18:44:21 -1799.980381 0.0582 BFGS: 209 18:44:31 -1799.983663 0.0583 BFGS: 210 18:44:36 -1799.986963 0.0583 BFGS: 211 18:44:40 -1799.990283 0.0583 BFGS: 212 18:44:46 -1799.993623 0.0583 BFGS: 213 18:44:50 -1799.996984 0.0583 BFGS: 214 18:44:54 -1800.000366 0.0583 BFGS: 215 18:44:58 -1800.003769 0.0582 BFGS: 216 18:45:05 -1800.007194 0.0581 BFGS: 217 18:45:10 -1800.010633 0.0581 BFGS: 218 18:45:17 -1800.014074 0.0581 BFGS: 219 18:45:24 -1800.017522 0.0580 BFGS: 220 18:45:28 -1800.020985 0.0580 BFGS: 221 18:45:31 -1800.024466 0.0579 BFGS: 222 18:45:34 -1800.027970 0.0578 BFGS: 223 18:45:40 -1800.031501 0.0577 BFGS: 224 18:45:45 -1800.035061 0.0576 BFGS: 225 18:45:52 -1800.038656 0.0575 BFGS: 226 18:45:58 -1800.042287 0.0574 BFGS: 227 18:46:02 -1800.045960 0.0572 BFGS: 228 18:46:06 -1800.049671 0.0570 BFGS: 229 18:46:12 -1800.053374 0.0568 BFGS: 230 18:46:16 -1800.057089 0.0566 BFGS: 231 18:46:21 -1800.060831 0.0564 BFGS: 232 18:46:27 -1800.064613 0.0560 BFGS: 233 18:46:33 -1800.068444 0.0557 BFGS: 234 18:46:37 -1800.072330 0.0552 BFGS: 235 18:46:41 -1800.076275 0.0547 BFGS: 236 18:46:47 -1800.080280 0.0541 BFGS: 237 18:46:51 -1800.084341 0.0534 BFGS: 238 18:46:55 -1800.088453 0.0527 BFGS: 239 18:46:59 -1800.092605 0.0519 BFGS: 240 18:47:03 -1800.096781 0.0510 BFGS: 241 18:47:06 -1800.100960 0.0501 BFGS: 242 18:47:10 -1800.105117 0.0492 BFGS: 243 18:47:14 -1800.109223 0.0484 BFGS: 244 18:47:19 -1800.113242 0.0476 BFGS: 245 18:47:22 -1800.117143 0.0469 BFGS: 246 18:47:27 -1800.120898 0.0464 BFGS: 247 18:47:33 -1800.124485 0.0460 BFGS: 248 18:47:37 -1800.127915 0.0459 BFGS: 249 18:47:41 -1800.131402 0.0458 BFGS: 250 18:47:47 -1800.135190 0.0457 BFGS: 251 18:47:51 -1800.139477 0.0456 BFGS: 252 18:47:54 -1800.144441 0.0454 BFGS: 253 18:47:58 -1800.150270 0.0452 BFGS: 254 18:48:03 -1800.157177 0.0450 BFGS: 255 18:48:07 -1800.165392 0.0447 BFGS: 256 18:48:11 -1800.175146 0.0444 BFGS: 257 18:48:15 -1800.186661 0.0440 BFGS: 258 18:48:18 -1800.200246 0.0436 BFGS: 259 18:48:23 -1800.216515 0.0431 BFGS: 260 18:48:27 -1800.236506 0.0425 BFGS: 261 18:48:31 -1800.262507 0.0416 BFGS: 262 18:48:35 -1800.298266 0.0404 BFGS: 263 18:48:40 -1800.347715 0.0385 BFGS: 264 18:48:46 -1800.405807 0.0396 BFGS: 265 18:48:50 -1800.435270 0.0346 BFGS: 266 18:48:54 -1800.468433 0.0345 BFGS: 267 18:48:58 -1800.484154 0.0332 BFGS: 268 18:49:03 -1800.497047 0.0316 BFGS: 269 18:49:08 -1800.510359 0.0290 BFGS: 270 18:49:12 -1800.523599 0.0262 BFGS: 271 18:49:16 -1800.539075 0.0237 BFGS: 272 18:49:20 -1800.561147 0.0244 BFGS: 273 18:49:24 -1800.585893 0.0267 BFGS: 274 18:49:29 -1800.630071 0.0300 BFGS: 275 18:49:34 -1800.687532 0.0294 BFGS: 276 18:49:39 -1800.752311 0.0421 BFGS: 277 18:49:44 -1800.855376 0.0316 BFGS: 278 18:49:47 -1800.886722 0.0137 BFGS: 279 18:49:51 -1800.888184 0.0163 BFGS: 280 18:49:54 -1800.889482 0.0122 BFGS: 281 18:49:59 -1800.890632 0.0126 BFGS: 282 18:50:05 -1800.891415 0.0127 BFGS: 283 18:50:09 -1800.893381 0.0130 BFGS: 284 18:50:12 -1800.895228 0.0168 BFGS: 285 18:50:15 -1800.897083 0.0194 BFGS: 286 18:50:19 -1800.898914 0.0202 BFGS: 287 18:50:22 -1800.900638 0.0195 BFGS: 288 18:50:26 -1800.902171 0.0177 BFGS: 289 18:50:30 -1800.903448 0.0150 BFGS: 290 18:50:34 -1800.904450 0.0118 BFGS: 291 18:50:39 -1800.905173 0.0086 BFGS: 292 18:50:43 -1800.905636 0.0072 BFGS: 293 18:50:48 -1800.905857 0.0065 BFGS: 294 18:50:52 -1800.905898 0.0063 BFGS: 295 18:50:57 -1800.905936 0.0063 BFGS: 296 18:51:00 -1800.905955 0.0064 BFGS: 297 18:51:05 -1800.905975 0.0066 BFGS: 298 18:51:09 -1800.905984 0.0067 BFGS: 299 18:51:15 -1800.905992 0.0068 BFGS: 300 18:51:18 -1800.905995 0.0068 BFGS: 301 18:51:22 -1800.905998 0.0068 BFGS: 302 18:51:27 -1800.905998 0.0068 BFGS: 303 18:51:31 -1800.905998 0.0068 BFGS: 304 18:51:35 -1800.905998 0.0068 BFGS: 305 18:51:39 -1800.905999 0.0067 BFGS: 306 18:51:44 -1800.906000 0.0067 BFGS: 307 18:51:48 -1800.906004 0.0067 BFGS: 308 18:51:52 -1800.906014 0.0066 BFGS: 309 18:51:55 -1800.906041 0.0064 BFGS: 310 18:51:59 -1800.906112 0.0062 BFGS: 311 18:52:03 -1800.906291 0.0073 BFGS: 312 18:52:09 -1800.906637 0.0088 BFGS: 313 18:52:13 -1800.907145 0.0100 BFGS: 314 18:52:17 -1800.907833 0.0109 BFGS: 315 18:52:22 -1800.908701 0.0115 BFGS: 316 18:52:26 -1800.909737 0.0117 BFGS: 317 18:52:31 -1800.910905 0.0115 BFGS: 318 18:52:34 -1800.912139 0.0108 BFGS: 319 18:52:38 -1800.913322 0.0093 BFGS: 320 18:52:41 -1800.914273 0.0066 BFGS: 321 18:52:46 -1800.914700 0.0018 BFGS: 322 18:52:51 -1800.914725 0.0005 BFGS: 323 18:52:55 -1800.914735 0.0001 BFGS: 324 18:52:59 -1800.914737 0.0000 BFGS: 325 18:53:03 -1800.914737 0.0000 BFGS: 326 18:53:06 -1800.914737 0.0000 BFGS: 327 18:53:10 -1800.914737 0.0000 BFGS: 328 18:53:14 -1800.914737 0.0000 BFGS: 329 18:53:18 -1800.914737 0.0000 BFGS: 330 18:53:22 -1800.914737 0.0000 Minimization converged after 330 steps. Maximum force component: 2.9881416626048322e-09 eV/Angstrom Maximum stress component: 2.0899661386187617e-11 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 5.15680800e-02 5.89813677e-01] [2.40125030e-35 9.48431920e-01 5.89813677e-01] [0.00000000e+00 5.15680800e-02 4.10186323e-01] [3.44057969e-36 9.48431920e-01 4.10186323e-01] [5.89813677e-01 1.00000000e+00 5.15680800e-02] [5.89813677e-01 1.00000000e+00 9.48431920e-01] [4.10186323e-01 1.00000000e+00 5.15680800e-02] [4.10186323e-01 1.00000000e+00 9.48431920e-01] [5.15680800e-02 5.89813677e-01 0.00000000e+00] [9.48431920e-01 5.89813677e-01 2.05743638e-35] [5.15680800e-02 4.10186323e-01 0.00000000e+00] [9.48431920e-01 4.10186323e-01 3.79855051e-36] [0.00000000e+00 5.51568080e-01 8.98136772e-02] [2.66857647e-35 4.48431920e-01 8.98136772e-02] [0.00000000e+00 5.51568080e-01 9.10186323e-01] [0.00000000e+00 4.48431920e-01 9.10186323e-01] [5.89813677e-01 5.00000000e-01 5.51568080e-01] [5.89813677e-01 5.00000000e-01 4.48431920e-01] [4.10186323e-01 5.00000000e-01 5.51568080e-01] [4.10186323e-01 5.00000000e-01 4.48431920e-01] [5.15680800e-02 8.98136772e-02 5.00000000e-01] [9.48431920e-01 8.98136772e-02 5.00000000e-01] [5.15680800e-02 9.10186323e-01 5.00000000e-01] [9.48431920e-01 9.10186323e-01 5.00000000e-01] [5.00000000e-01 5.15680800e-02 8.98136772e-02] [5.00000000e-01 9.48431920e-01 8.98136772e-02] [5.00000000e-01 5.15680800e-02 9.10186323e-01] [5.00000000e-01 9.48431920e-01 9.10186323e-01] [8.98136772e-02 1.00000000e+00 5.51568080e-01] [8.98136772e-02 1.00000000e+00 4.48431920e-01] [9.10186323e-01 1.00000000e+00 5.51568080e-01] [9.10186323e-01 1.00000000e+00 4.48431920e-01] [5.51568080e-01 5.89813677e-01 5.00000000e-01] [4.48431920e-01 5.89813677e-01 5.00000000e-01] [5.51568080e-01 4.10186323e-01 5.00000000e-01] [4.48431920e-01 4.10186323e-01 5.00000000e-01] [5.00000000e-01 5.51568080e-01 5.89813677e-01] [5.00000000e-01 4.48431920e-01 5.89813677e-01] [5.00000000e-01 5.51568080e-01 4.10186323e-01] [5.00000000e-01 4.48431920e-01 4.10186323e-01] [8.98136772e-02 5.00000000e-01 5.15680800e-02] [8.98136772e-02 5.00000000e-01 9.48431920e-01] [9.10186323e-01 5.00000000e-01 5.15680800e-02] [9.10186323e-01 5.00000000e-01 9.48431920e-01] [5.51568080e-01 8.98136772e-02 0.00000000e+00] [4.48431920e-01 8.98136772e-02 2.06121891e-35] [5.51568080e-01 9.10186323e-01 0.00000000e+00] [4.48431920e-01 9.10186323e-01 7.65476411e-36] [6.02247427e-01 7.80289357e-01 6.02111210e-01] [3.97752573e-01 2.19710643e-01 6.02111210e-01] [3.97752573e-01 7.80289357e-01 3.97888790e-01] [6.02247427e-01 2.19710643e-01 3.97888790e-01] [6.02111210e-01 6.02247427e-01 7.80289357e-01] [6.02111210e-01 3.97752573e-01 2.19710643e-01] [3.97888790e-01 3.97752573e-01 7.80289357e-01] [3.97888790e-01 6.02247427e-01 2.19710643e-01] [7.80289357e-01 6.02111210e-01 6.02247427e-01] [2.19710643e-01 6.02111210e-01 3.97752573e-01] [7.80289357e-01 3.97888790e-01 3.97752573e-01] [2.19710643e-01 3.97888790e-01 6.02247427e-01] [6.02247427e-01 2.80289357e-01 1.02111210e-01] [3.97752573e-01 7.19710643e-01 1.02111210e-01] [3.97752573e-01 2.80289357e-01 8.97888790e-01] [6.02247427e-01 7.19710643e-01 8.97888790e-01] [6.02111210e-01 1.02247427e-01 2.80289357e-01] [6.02111210e-01 8.97752573e-01 7.19710643e-01] [3.97888790e-01 8.97752573e-01 2.80289357e-01] [3.97888790e-01 1.02247427e-01 7.19710643e-01] [7.80289357e-01 1.02111210e-01 1.02247427e-01] [2.19710643e-01 1.02111210e-01 8.97752573e-01] [7.80289357e-01 8.97888790e-01 8.97752573e-01] [2.19710643e-01 8.97888790e-01 1.02247427e-01] [1.02247427e-01 7.80289357e-01 1.02111210e-01] [8.97752573e-01 2.19710643e-01 1.02111210e-01] [8.97752573e-01 7.80289357e-01 8.97888790e-01] [1.02247427e-01 2.19710643e-01 8.97888790e-01] [1.02111210e-01 6.02247427e-01 2.80289357e-01] [1.02111210e-01 3.97752573e-01 7.19710643e-01] [8.97888790e-01 3.97752573e-01 2.80289357e-01] [8.97888790e-01 6.02247427e-01 7.19710643e-01] [2.80289357e-01 6.02111210e-01 1.02247427e-01] [7.19710643e-01 6.02111210e-01 8.97752573e-01] [2.80289357e-01 3.97888790e-01 8.97752573e-01] [7.19710643e-01 3.97888790e-01 1.02247427e-01] [1.02247427e-01 2.80289357e-01 6.02111210e-01] [8.97752573e-01 7.19710643e-01 6.02111210e-01] [8.97752573e-01 2.80289357e-01 3.97888790e-01] [1.02247427e-01 7.19710643e-01 3.97888790e-01] [1.02111210e-01 1.02247427e-01 7.80289357e-01] [1.02111210e-01 8.97752573e-01 2.19710643e-01] [8.97888790e-01 8.97752573e-01 7.80289357e-01] [8.97888790e-01 1.02247427e-01 2.19710643e-01] [2.80289357e-01 1.02111210e-01 6.02247427e-01] [7.19710643e-01 1.02111210e-01 3.97752573e-01] [2.80289357e-01 8.97888790e-01 3.97752573e-01] [7.19710643e-01 8.97888790e-01 6.02247427e-01] [3.97752573e-01 2.19710643e-01 3.97888790e-01] [6.02247427e-01 7.80289357e-01 3.97888790e-01] [6.02247427e-01 2.19710643e-01 6.02111210e-01] [3.97752573e-01 7.80289357e-01 6.02111210e-01] [3.97888790e-01 3.97752573e-01 2.19710643e-01] [3.97888790e-01 6.02247427e-01 7.80289357e-01] [6.02111210e-01 6.02247427e-01 2.19710643e-01] [6.02111210e-01 3.97752573e-01 7.80289357e-01] [2.19710643e-01 3.97888790e-01 3.97752573e-01] [7.80289357e-01 3.97888790e-01 6.02247427e-01] [2.19710643e-01 6.02111210e-01 6.02247427e-01] [7.80289357e-01 6.02111210e-01 3.97752573e-01] [3.97752573e-01 7.19710643e-01 8.97888790e-01] [6.02247427e-01 2.80289357e-01 8.97888790e-01] [6.02247427e-01 7.19710643e-01 1.02111210e-01] [3.97752573e-01 2.80289357e-01 1.02111210e-01] [3.97888790e-01 8.97752573e-01 7.19710643e-01] [3.97888790e-01 1.02247427e-01 2.80289357e-01] [6.02111210e-01 1.02247427e-01 7.19710643e-01] [6.02111210e-01 8.97752573e-01 2.80289357e-01] [2.19710643e-01 8.97888790e-01 8.97752573e-01] [7.80289357e-01 8.97888790e-01 1.02247427e-01] [2.19710643e-01 1.02111210e-01 1.02247427e-01] [7.80289357e-01 1.02111210e-01 8.97752573e-01] [8.97752573e-01 2.19710643e-01 8.97888790e-01] [1.02247427e-01 7.80289357e-01 8.97888790e-01] [1.02247427e-01 2.19710643e-01 1.02111210e-01] [8.97752573e-01 7.80289357e-01 1.02111210e-01] [8.97888790e-01 3.97752573e-01 7.19710643e-01] [8.97888790e-01 6.02247427e-01 2.80289357e-01] [1.02111210e-01 6.02247427e-01 7.19710643e-01] [1.02111210e-01 3.97752573e-01 2.80289357e-01] [7.19710643e-01 3.97888790e-01 8.97752573e-01] [2.80289357e-01 3.97888790e-01 1.02247427e-01] [7.19710643e-01 6.02111210e-01 1.02247427e-01] [2.80289357e-01 6.02111210e-01 8.97752573e-01] [8.97752573e-01 7.19710643e-01 3.97888790e-01] [1.02247427e-01 2.80289357e-01 3.97888790e-01] [1.02247427e-01 7.19710643e-01 6.02111210e-01] [8.97752573e-01 2.80289357e-01 6.02111210e-01] [8.97888790e-01 8.97752573e-01 2.19710643e-01] [8.97888790e-01 1.02247427e-01 7.80289357e-01] [1.02111210e-01 1.02247427e-01 2.19710643e-01] [1.02111210e-01 8.97752573e-01 7.80289357e-01] [7.19710643e-01 8.97888790e-01 3.97752573e-01] [2.80289357e-01 8.97888790e-01 6.02247427e-01] [7.19710643e-01 1.02111210e-01 6.02247427e-01] [2.80289357e-01 1.02111210e-01 3.97752573e-01] [6.71198180e-01 3.28983224e-01 4.87022723e-02] [3.28801820e-01 6.71016776e-01 4.87022723e-02] [3.28801820e-01 3.28983224e-01 9.51297728e-01] [6.71198180e-01 6.71016776e-01 9.51297728e-01] [4.87022723e-02 6.71198180e-01 3.28983224e-01] [4.87022723e-02 3.28801820e-01 6.71016776e-01] [9.51297728e-01 3.28801820e-01 3.28983224e-01] [9.51297728e-01 6.71198180e-01 6.71016776e-01] [3.28983224e-01 4.87022723e-02 6.71198180e-01] [6.71016776e-01 4.87022723e-02 3.28801820e-01] [3.28983224e-01 9.51297728e-01 3.28801820e-01] [6.71016776e-01 9.51297728e-01 6.71198180e-01] [6.71198180e-01 8.28983224e-01 5.48702272e-01] [3.28801820e-01 1.71016776e-01 5.48702272e-01] [3.28801820e-01 8.28983224e-01 4.51297728e-01] [6.71198180e-01 1.71016776e-01 4.51297728e-01] [4.87022723e-02 1.71198180e-01 8.28983224e-01] [4.87022723e-02 8.28801820e-01 1.71016776e-01] [9.51297728e-01 8.28801820e-01 8.28983224e-01] [9.51297728e-01 1.71198180e-01 1.71016776e-01] [3.28983224e-01 5.48702272e-01 1.71198180e-01] [6.71016776e-01 5.48702272e-01 8.28801820e-01] [3.28983224e-01 4.51297728e-01 8.28801820e-01] [6.71016776e-01 4.51297728e-01 1.71198180e-01] [1.71198180e-01 3.28983224e-01 5.48702272e-01] [8.28801820e-01 6.71016776e-01 5.48702272e-01] [8.28801820e-01 3.28983224e-01 4.51297728e-01] [1.71198180e-01 6.71016776e-01 4.51297728e-01] [5.48702272e-01 6.71198180e-01 8.28983224e-01] [5.48702272e-01 3.28801820e-01 1.71016776e-01] [4.51297728e-01 3.28801820e-01 8.28983224e-01] [4.51297728e-01 6.71198180e-01 1.71016776e-01] [8.28983224e-01 4.87022723e-02 1.71198180e-01] [1.71016776e-01 4.87022723e-02 8.28801820e-01] [8.28983224e-01 9.51297728e-01 8.28801820e-01] [1.71016776e-01 9.51297728e-01 1.71198180e-01] [1.71198180e-01 8.28983224e-01 4.87022723e-02] [8.28801820e-01 1.71016776e-01 4.87022723e-02] [8.28801820e-01 8.28983224e-01 9.51297728e-01] [1.71198180e-01 1.71016776e-01 9.51297728e-01] [5.48702272e-01 1.71198180e-01 3.28983224e-01] [5.48702272e-01 8.28801820e-01 6.71016776e-01] [4.51297728e-01 8.28801820e-01 3.28983224e-01] [4.51297728e-01 1.71198180e-01 6.71016776e-01] [8.28983224e-01 5.48702272e-01 6.71198180e-01] [1.71016776e-01 5.48702272e-01 3.28801820e-01] [8.28983224e-01 4.51297728e-01 3.28801820e-01] [1.71016776e-01 4.51297728e-01 6.71198180e-01] [3.28801820e-01 6.71016776e-01 9.51297728e-01] [6.71198180e-01 3.28983224e-01 9.51297728e-01] [6.71198180e-01 6.71016776e-01 4.87022723e-02] [3.28801820e-01 3.28983224e-01 4.87022723e-02] [9.51297728e-01 3.28801820e-01 6.71016776e-01] [9.51297728e-01 6.71198180e-01 3.28983224e-01] [4.87022723e-02 6.71198180e-01 6.71016776e-01] [4.87022723e-02 3.28801820e-01 3.28983224e-01] [6.71016776e-01 9.51297728e-01 3.28801820e-01] [3.28983224e-01 9.51297728e-01 6.71198180e-01] [6.71016776e-01 4.87022723e-02 6.71198180e-01] [3.28983224e-01 4.87022723e-02 3.28801820e-01] [3.28801820e-01 1.71016776e-01 4.51297728e-01] [6.71198180e-01 8.28983224e-01 4.51297728e-01] [6.71198180e-01 1.71016776e-01 5.48702272e-01] [3.28801820e-01 8.28983224e-01 5.48702272e-01] [9.51297728e-01 8.28801820e-01 1.71016776e-01] [9.51297728e-01 1.71198180e-01 8.28983224e-01] [4.87022723e-02 1.71198180e-01 1.71016776e-01] [4.87022723e-02 8.28801820e-01 8.28983224e-01] [6.71016776e-01 4.51297728e-01 8.28801820e-01] [3.28983224e-01 4.51297728e-01 1.71198180e-01] [6.71016776e-01 5.48702272e-01 1.71198180e-01] [3.28983224e-01 5.48702272e-01 8.28801820e-01] [8.28801820e-01 6.71016776e-01 4.51297728e-01] [1.71198180e-01 3.28983224e-01 4.51297728e-01] [1.71198180e-01 6.71016776e-01 5.48702272e-01] [8.28801820e-01 3.28983224e-01 5.48702272e-01] [4.51297728e-01 3.28801820e-01 1.71016776e-01] [4.51297728e-01 6.71198180e-01 8.28983224e-01] [5.48702272e-01 6.71198180e-01 1.71016776e-01] [5.48702272e-01 3.28801820e-01 8.28983224e-01] [1.71016776e-01 9.51297728e-01 8.28801820e-01] [8.28983224e-01 9.51297728e-01 1.71198180e-01] [1.71016776e-01 4.87022723e-02 1.71198180e-01] [8.28983224e-01 4.87022723e-02 8.28801820e-01] [8.28801820e-01 1.71016776e-01 9.51297728e-01] [1.71198180e-01 8.28983224e-01 9.51297728e-01] [1.71198180e-01 1.71016776e-01 4.87022723e-02] [8.28801820e-01 8.28983224e-01 4.87022723e-02] [4.51297728e-01 8.28801820e-01 6.71016776e-01] [4.51297728e-01 1.71198180e-01 3.28983224e-01] [5.48702272e-01 1.71198180e-01 6.71016776e-01] [5.48702272e-01 8.28801820e-01 3.28983224e-01] [1.71016776e-01 4.51297728e-01 3.28801820e-01] [8.28983224e-01 4.51297728e-01 6.71198180e-01] [1.71016776e-01 5.48702272e-01 6.71198180e-01] [8.28983224e-01 5.48702272e-01 3.28801820e-01]] cellpar = Cell([[14.141480266571312, -4.866529393497624e-37, 0.0], [-1.9995794652466205e-37, 14.141480266571312, 0.0], [0.0, 0.0, 14.141480266571312]]) forces = [[-9.07850010e-34 -3.11629912e-10 -3.05253804e-10] [ 9.07850010e-34 3.11629912e-10 -3.05253804e-10] [ 9.07850010e-34 -3.11629912e-10 3.05253804e-10] [ 9.07850010e-34 3.11629912e-10 3.05253804e-10] [-3.05253804e-10 -9.07850010e-34 -3.11629912e-10] [-3.05253804e-10 9.07850010e-34 3.11629912e-10] [ 3.05253804e-10 9.07850010e-34 -3.11629912e-10] [ 3.05253804e-10 9.07850010e-34 3.11629912e-10] [-3.11629912e-10 -3.05253804e-10 0.00000000e+00] [ 3.11629912e-10 -3.05253804e-10 0.00000000e+00] [-3.11629912e-10 3.05253804e-10 9.07850010e-34] [ 3.11629912e-10 3.05253804e-10 9.07850010e-34] [-9.07850010e-34 -3.11629912e-10 -3.05253804e-10] [ 9.07850010e-34 3.11629912e-10 -3.05253804e-10] [ 9.07850010e-34 -3.11629912e-10 3.05253804e-10] [ 9.07850010e-34 3.11629912e-10 3.05253804e-10] [-3.05253804e-10 -9.07850010e-34 -3.11629912e-10] [-3.05253804e-10 9.07850010e-34 3.11629912e-10] [ 3.05253804e-10 9.07850010e-34 -3.11629912e-10] [ 3.05253804e-10 9.07850010e-34 3.11629912e-10] [-3.11629912e-10 -3.05253804e-10 0.00000000e+00] [ 3.11629912e-10 -3.05253804e-10 9.07850010e-34] [-3.11629912e-10 3.05253804e-10 9.07850010e-34] [ 3.11629912e-10 3.05253804e-10 9.07850010e-34] [-9.07850010e-34 -3.11629912e-10 -3.05253804e-10] [ 9.07850010e-34 3.11629912e-10 -3.05253804e-10] [ 9.07850010e-34 -3.11629912e-10 3.05253804e-10] [ 9.07850010e-34 3.11629912e-10 3.05253804e-10] [-3.05253804e-10 -9.07850010e-34 -3.11629912e-10] [-3.05253804e-10 9.07850010e-34 3.11629912e-10] [ 3.05253804e-10 9.07850010e-34 -3.11629912e-10] [ 3.05253804e-10 9.07850010e-34 3.11629912e-10] [-3.11629912e-10 -3.05253804e-10 -4.53925005e-34] [ 3.11629912e-10 -3.05253804e-10 4.53925005e-34] [-3.11629912e-10 3.05253804e-10 9.07850010e-34] [ 3.11629912e-10 3.05253804e-10 9.07850010e-34] [-9.07850010e-34 -3.11629912e-10 -3.05253804e-10] [ 9.07850010e-34 3.11629912e-10 -3.05253804e-10] [ 9.07850010e-34 -3.11629912e-10 3.05253804e-10] [ 4.53925005e-34 3.11629912e-10 3.05253804e-10] [-3.05253804e-10 -9.07850010e-34 -3.11629912e-10] [-3.05253804e-10 9.07850010e-34 3.11629912e-10] [ 3.05253804e-10 9.07850010e-34 -3.11629912e-10] [ 3.05253804e-10 9.07850010e-34 3.11629912e-10] [-3.11629912e-10 -3.05253804e-10 0.00000000e+00] [ 3.11629912e-10 -3.05253804e-10 9.07850010e-34] [-3.11629912e-10 3.05253804e-10 9.07850010e-34] [ 3.11629912e-10 3.05253804e-10 9.07850010e-34] [ 1.22777141e-09 7.62509767e-10 1.42378885e-09] [-1.22777141e-09 -7.62509767e-10 1.42378885e-09] [-1.22777141e-09 7.62509767e-10 -1.42378885e-09] [ 1.22777141e-09 -7.62509767e-10 -1.42378885e-09] [ 1.42378885e-09 1.22777141e-09 7.62509767e-10] [ 1.42378885e-09 -1.22777141e-09 -7.62509767e-10] [-1.42378885e-09 -1.22777141e-09 7.62509767e-10] [-1.42378885e-09 1.22777141e-09 -7.62509767e-10] [ 7.62509767e-10 1.42378885e-09 1.22777141e-09] [-7.62509767e-10 1.42378885e-09 -1.22777141e-09] [ 7.62509767e-10 -1.42378885e-09 -1.22777141e-09] [-7.62509767e-10 -1.42378885e-09 1.22777141e-09] [ 1.22777141e-09 7.62509767e-10 1.42378885e-09] [-1.22777141e-09 -7.62509767e-10 1.42378885e-09] [-1.22777141e-09 7.62509767e-10 -1.42378885e-09] [ 1.22777141e-09 -7.62509767e-10 -1.42378885e-09] [ 1.42378885e-09 1.22777141e-09 7.62509767e-10] [ 1.42378885e-09 -1.22777141e-09 -7.62509767e-10] [-1.42378885e-09 -1.22777141e-09 7.62509767e-10] [-1.42378885e-09 1.22777141e-09 -7.62509767e-10] [ 7.62509767e-10 1.42378885e-09 1.22777141e-09] [-7.62509767e-10 1.42378885e-09 -1.22777141e-09] [ 7.62509767e-10 -1.42378885e-09 -1.22777141e-09] [-7.62509767e-10 -1.42378885e-09 1.22777141e-09] [ 1.22777141e-09 7.62509767e-10 1.42378885e-09] [-1.22777141e-09 -7.62509767e-10 1.42378885e-09] [-1.22777141e-09 7.62509767e-10 -1.42378885e-09] [ 1.22777141e-09 -7.62509767e-10 -1.42378885e-09] [ 1.42378885e-09 1.22777141e-09 7.62509767e-10] [ 1.42378885e-09 -1.22777141e-09 -7.62509767e-10] [-1.42378885e-09 -1.22777141e-09 7.62509767e-10] [-1.42378885e-09 1.22777141e-09 -7.62509767e-10] [ 7.62509767e-10 1.42378885e-09 1.22777141e-09] [-7.62509767e-10 1.42378885e-09 -1.22777141e-09] [ 7.62509767e-10 -1.42378885e-09 -1.22777141e-09] [-7.62509767e-10 -1.42378885e-09 1.22777141e-09] [ 1.22777141e-09 7.62509767e-10 1.42378885e-09] [-1.22777141e-09 -7.62509767e-10 1.42378885e-09] [-1.22777141e-09 7.62509767e-10 -1.42378885e-09] [ 1.22777141e-09 -7.62509767e-10 -1.42378885e-09] [ 1.42378885e-09 1.22777141e-09 7.62509767e-10] [ 1.42378885e-09 -1.22777141e-09 -7.62509767e-10] [-1.42378885e-09 -1.22777141e-09 7.62509767e-10] [-1.42378885e-09 1.22777141e-09 -7.62509767e-10] [ 7.62509767e-10 1.42378885e-09 1.22777141e-09] [-7.62509767e-10 1.42378885e-09 -1.22777141e-09] [ 7.62509767e-10 -1.42378885e-09 -1.22777141e-09] [-7.62509767e-10 -1.42378885e-09 1.22777141e-09] [-1.22777141e-09 -7.62509767e-10 -1.42378885e-09] [ 1.22777141e-09 7.62509767e-10 -1.42378885e-09] [ 1.22777141e-09 -7.62509767e-10 1.42378885e-09] [-1.22777141e-09 7.62509767e-10 1.42378885e-09] [-1.42378885e-09 -1.22777141e-09 -7.62509767e-10] [-1.42378885e-09 1.22777141e-09 7.62509767e-10] [ 1.42378885e-09 1.22777141e-09 -7.62509767e-10] [ 1.42378885e-09 -1.22777141e-09 7.62509767e-10] [-7.62509767e-10 -1.42378885e-09 -1.22777141e-09] [ 7.62509767e-10 -1.42378885e-09 1.22777141e-09] [-7.62509767e-10 1.42378885e-09 1.22777141e-09] [ 7.62509767e-10 1.42378885e-09 -1.22777141e-09] [-1.22777141e-09 -7.62509767e-10 -1.42378885e-09] [ 1.22777141e-09 7.62509767e-10 -1.42378885e-09] [ 1.22777141e-09 -7.62509767e-10 1.42378885e-09] [-1.22777141e-09 7.62509767e-10 1.42378885e-09] [-1.42378885e-09 -1.22777141e-09 -7.62509767e-10] [-1.42378885e-09 1.22777141e-09 7.62509767e-10] [ 1.42378885e-09 1.22777141e-09 -7.62509767e-10] [ 1.42378885e-09 -1.22777141e-09 7.62509767e-10] [-7.62509767e-10 -1.42378885e-09 -1.22777141e-09] [ 7.62509767e-10 -1.42378885e-09 1.22777141e-09] [-7.62509767e-10 1.42378885e-09 1.22777141e-09] [ 7.62509767e-10 1.42378885e-09 -1.22777141e-09] [-1.22777141e-09 -7.62509767e-10 -1.42378885e-09] [ 1.22777141e-09 7.62509767e-10 -1.42378885e-09] [ 1.22777141e-09 -7.62509767e-10 1.42378885e-09] [-1.22777141e-09 7.62509767e-10 1.42378885e-09] [-1.42378885e-09 -1.22777141e-09 -7.62509767e-10] [-1.42378885e-09 1.22777141e-09 7.62509767e-10] [ 1.42378885e-09 1.22777141e-09 -7.62509767e-10] [ 1.42378885e-09 -1.22777141e-09 7.62509767e-10] [-7.62509767e-10 -1.42378885e-09 -1.22777141e-09] [ 7.62509767e-10 -1.42378885e-09 1.22777141e-09] [-7.62509767e-10 1.42378885e-09 1.22777141e-09] [ 7.62509767e-10 1.42378885e-09 -1.22777141e-09] [-1.22777141e-09 -7.62509767e-10 -1.42378885e-09] [ 1.22777141e-09 7.62509767e-10 -1.42378885e-09] [ 1.22777141e-09 -7.62509767e-10 1.42378885e-09] [-1.22777141e-09 7.62509767e-10 1.42378885e-09] [-1.42378885e-09 -1.22777141e-09 -7.62509767e-10] [-1.42378885e-09 1.22777141e-09 7.62509767e-10] [ 1.42378885e-09 1.22777141e-09 -7.62509767e-10] [ 1.42378885e-09 -1.22777141e-09 7.62509767e-10] [-7.62509767e-10 -1.42378885e-09 -1.22777141e-09] [ 7.62509767e-10 -1.42378885e-09 1.22777141e-09] [-7.62509767e-10 1.42378885e-09 1.22777141e-09] [ 7.62509767e-10 1.42378885e-09 -1.22777141e-09] [ 1.10203318e-09 2.93345279e-09 2.98814166e-09] [-1.10203318e-09 -2.93345279e-09 2.98814166e-09] [-1.10203318e-09 2.93345279e-09 -2.98814166e-09] [ 1.10203318e-09 -2.93345279e-09 -2.98814166e-09] [ 2.98814166e-09 1.10203318e-09 2.93345279e-09] [ 2.98814166e-09 -1.10203318e-09 -2.93345279e-09] [-2.98814166e-09 -1.10203318e-09 2.93345279e-09] [-2.98814166e-09 1.10203318e-09 -2.93345279e-09] [ 2.93345279e-09 2.98814166e-09 1.10203318e-09] [-2.93345279e-09 2.98814166e-09 -1.10203318e-09] [ 2.93345279e-09 -2.98814166e-09 -1.10203318e-09] [-2.93345279e-09 -2.98814166e-09 1.10203318e-09] [ 1.10203318e-09 2.93345279e-09 2.98814166e-09] [-1.10203318e-09 -2.93345279e-09 2.98814166e-09] [-1.10203318e-09 2.93345279e-09 -2.98814166e-09] [ 1.10203318e-09 -2.93345279e-09 -2.98814166e-09] [ 2.98814166e-09 1.10203318e-09 2.93345279e-09] [ 2.98814166e-09 -1.10203318e-09 -2.93345279e-09] [-2.98814166e-09 -1.10203318e-09 2.93345279e-09] [-2.98814166e-09 1.10203318e-09 -2.93345279e-09] [ 2.93345279e-09 2.98814166e-09 1.10203318e-09] [-2.93345279e-09 2.98814166e-09 -1.10203318e-09] [ 2.93345279e-09 -2.98814166e-09 -1.10203318e-09] [-2.93345279e-09 -2.98814166e-09 1.10203318e-09] [ 1.10203318e-09 2.93345279e-09 2.98814166e-09] [-1.10203318e-09 -2.93345279e-09 2.98814166e-09] [-1.10203318e-09 2.93345279e-09 -2.98814166e-09] [ 1.10203318e-09 -2.93345279e-09 -2.98814166e-09] [ 2.98814166e-09 1.10203318e-09 2.93345279e-09] [ 2.98814166e-09 -1.10203318e-09 -2.93345279e-09] [-2.98814166e-09 -1.10203318e-09 2.93345279e-09] [-2.98814166e-09 1.10203318e-09 -2.93345279e-09] [ 2.93345279e-09 2.98814166e-09 1.10203318e-09] [-2.93345279e-09 2.98814166e-09 -1.10203318e-09] [ 2.93345279e-09 -2.98814166e-09 -1.10203318e-09] [-2.93345279e-09 -2.98814166e-09 1.10203318e-09] [ 1.10203318e-09 2.93345279e-09 2.98814166e-09] [-1.10203318e-09 -2.93345279e-09 2.98814166e-09] [-1.10203318e-09 2.93345279e-09 -2.98814166e-09] [ 1.10203318e-09 -2.93345279e-09 -2.98814166e-09] [ 2.98814166e-09 1.10203318e-09 2.93345279e-09] [ 2.98814166e-09 -1.10203318e-09 -2.93345279e-09] [-2.98814166e-09 -1.10203318e-09 2.93345279e-09] [-2.98814166e-09 1.10203318e-09 -2.93345279e-09] [ 2.93345279e-09 2.98814166e-09 1.10203318e-09] [-2.93345279e-09 2.98814166e-09 -1.10203318e-09] [ 2.93345279e-09 -2.98814166e-09 -1.10203318e-09] [-2.93345279e-09 -2.98814166e-09 1.10203318e-09] [-1.10203318e-09 -2.93345279e-09 -2.98814166e-09] [ 1.10203318e-09 2.93345279e-09 -2.98814166e-09] [ 1.10203318e-09 -2.93345279e-09 2.98814166e-09] [-1.10203318e-09 2.93345279e-09 2.98814166e-09] [-2.98814166e-09 -1.10203318e-09 -2.93345279e-09] [-2.98814166e-09 1.10203318e-09 2.93345279e-09] [ 2.98814166e-09 1.10203318e-09 -2.93345279e-09] [ 2.98814166e-09 -1.10203318e-09 2.93345279e-09] [-2.93345279e-09 -2.98814166e-09 -1.10203318e-09] [ 2.93345279e-09 -2.98814166e-09 1.10203318e-09] [-2.93345279e-09 2.98814166e-09 1.10203318e-09] [ 2.93345279e-09 2.98814166e-09 -1.10203318e-09] [-1.10203318e-09 -2.93345279e-09 -2.98814166e-09] [ 1.10203318e-09 2.93345279e-09 -2.98814166e-09] [ 1.10203318e-09 -2.93345279e-09 2.98814166e-09] [-1.10203318e-09 2.93345279e-09 2.98814166e-09] [-2.98814166e-09 -1.10203318e-09 -2.93345279e-09] [-2.98814166e-09 1.10203318e-09 2.93345279e-09] [ 2.98814166e-09 1.10203318e-09 -2.93345279e-09] [ 2.98814166e-09 -1.10203318e-09 2.93345279e-09] [-2.93345279e-09 -2.98814166e-09 -1.10203318e-09] [ 2.93345279e-09 -2.98814166e-09 1.10203318e-09] [-2.93345279e-09 2.98814166e-09 1.10203318e-09] [ 2.93345279e-09 2.98814166e-09 -1.10203318e-09] [-1.10203318e-09 -2.93345279e-09 -2.98814166e-09] [ 1.10203318e-09 2.93345279e-09 -2.98814166e-09] [ 1.10203318e-09 -2.93345279e-09 2.98814166e-09] [-1.10203318e-09 2.93345279e-09 2.98814166e-09] [-2.98814166e-09 -1.10203318e-09 -2.93345279e-09] [-2.98814166e-09 1.10203318e-09 2.93345279e-09] [ 2.98814166e-09 1.10203318e-09 -2.93345279e-09] [ 2.98814166e-09 -1.10203318e-09 2.93345279e-09] [-2.93345279e-09 -2.98814166e-09 -1.10203318e-09] [ 2.93345279e-09 -2.98814166e-09 1.10203318e-09] [-2.93345279e-09 2.98814166e-09 1.10203318e-09] [ 2.93345279e-09 2.98814166e-09 -1.10203318e-09] [-1.10203318e-09 -2.93345279e-09 -2.98814166e-09] [ 1.10203318e-09 2.93345279e-09 -2.98814166e-09] [ 1.10203318e-09 -2.93345279e-09 2.98814166e-09] [-1.10203318e-09 2.93345279e-09 2.98814166e-09] [-2.98814166e-09 -1.10203318e-09 -2.93345279e-09] [-2.98814166e-09 1.10203318e-09 2.93345279e-09] [ 2.98814166e-09 1.10203318e-09 -2.93345279e-09] [ 2.98814166e-09 -1.10203318e-09 2.93345279e-09] [-2.93345279e-09 -2.98814166e-09 -1.10203318e-09] [ 2.93345279e-09 -2.98814166e-09 1.10203318e-09] [-2.93345279e-09 2.98814166e-09 1.10203318e-09] [ 2.93345279e-09 2.98814166e-09 -1.10203318e-09]] stress = [2.08996614e-11 2.08996614e-11 2.08996614e-11 0.00000000e+00 0.00000000e+00 6.57445019e-34] energy per atom = -0.1094608769089831 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0