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 15:38:06 -1777.266735 0.098650 BFGS: 1 15:38:09 -1777.294403 0.094544 BFGS: 2 15:38:11 -1777.486535 0.189188 BFGS: 3 15:38:14 -1777.554039 0.116774 BFGS: 4 15:38:16 -1777.609763 0.105563 BFGS: 5 15:38:19 -1778.275643 0.382321 BFGS: 6 15:38:21 -1778.818125 1.185172 BFGS: 7 15:38:24 -1779.537417 2.169468 BFGS: 8 15:38:26 -1782.286835 1.985240 BFGS: 9 15:38:28 -1786.419003 0.809581 BFGS: 10 15:38:31 -1787.367615 0.448172 BFGS: 11 15:38:33 -1788.383012 0.359774 BFGS: 12 15:38:36 -1788.964509 0.354520 BFGS: 13 15:38:38 -1789.266362 0.330691 BFGS: 14 15:38:41 -1789.959670 0.375431 BFGS: 15 15:38:43 -1790.683983 0.458164 BFGS: 16 15:38:46 -1791.456309 0.506834 BFGS: 17 15:38:48 -1792.272186 0.536831 BFGS: 18 15:38:50 -1793.130972 0.552111 BFGS: 19 15:38:53 -1794.028896 0.555337 BFGS: 20 15:38:55 -1794.950026 0.579888 BFGS: 21 15:38:58 -1795.868727 0.584881 BFGS: 22 15:39:00 -1796.754145 0.565217 BFGS: 23 15:39:03 -1797.568925 0.516553 BFGS: 24 15:39:05 -1798.266002 0.435082 BFGS: 25 15:39:07 -1798.790552 0.318501 BFGS: 26 15:39:10 -1799.091891 0.167313 BFGS: 27 15:39:12 -1799.162481 0.079731 BFGS: 28 15:39:15 -1799.183921 0.094250 BFGS: 29 15:39:17 -1799.291637 0.136613 BFGS: 30 15:39:20 -1799.358042 0.125027 BFGS: 31 15:39:22 -1799.410897 0.086220 BFGS: 32 15:39:24 -1799.433506 0.061888 BFGS: 33 15:39:27 -1799.446701 0.046538 BFGS: 34 15:39:29 -1799.453630 0.030756 BFGS: 35 15:39:32 -1799.457166 0.022642 BFGS: 36 15:39:34 -1799.459116 0.020592 BFGS: 37 15:39:37 -1799.460658 0.020457 BFGS: 38 15:39:39 -1799.462318 0.020460 BFGS: 39 15:39:41 -1799.464461 0.020654 BFGS: 40 15:39:44 -1799.467167 0.021412 BFGS: 41 15:39:46 -1799.469704 0.022870 BFGS: 42 15:39:49 -1799.471009 0.024409 BFGS: 43 15:39:51 -1799.471320 0.025206 BFGS: 44 15:39:54 -1799.471389 0.025454 BFGS: 45 15:39:56 -1799.471467 0.025641 BFGS: 46 15:39:59 -1799.471664 0.025939 BFGS: 47 15:40:01 -1799.472152 0.026365 BFGS: 48 15:40:03 -1799.473389 0.026952 BFGS: 49 15:40:06 -1799.475756 0.027398 BFGS: 50 15:40:08 -1799.478321 0.030121 BFGS: 51 15:40:11 -1799.481095 0.032561 BFGS: 52 15:40:13 -1799.483996 0.033403 BFGS: 53 15:40:16 -1799.486929 0.033032 BFGS: 54 15:40:18 -1799.489801 0.031692 BFGS: 55 15:40:20 -1799.492525 0.029556 BFGS: 56 15:40:23 -1799.495023 0.026755 BFGS: 57 15:40:25 -1799.497227 0.023386 BFGS: 58 15:40:28 -1799.499082 0.022496 BFGS: 59 15:40:30 -1799.500549 0.021569 BFGS: 60 15:40:33 -1799.501604 0.020603 BFGS: 61 15:40:35 -1799.502260 0.019602 BFGS: 62 15:40:37 -1799.502606 0.018871 BFGS: 63 15:40:40 -1799.503045 0.018306 BFGS: 64 15:40:42 -1799.504215 0.017388 BFGS: 65 15:40:45 -1799.505798 0.017057 BFGS: 66 15:40:47 -1799.507752 0.019457 BFGS: 67 15:40:50 -1799.509989 0.022310 BFGS: 68 15:40:52 -1799.512440 0.024648 BFGS: 69 15:40:55 -1799.515052 0.026701 BFGS: 70 15:40:57 -1799.517791 0.028746 BFGS: 71 15:40:59 -1799.520632 0.030467 BFGS: 72 15:41:02 -1799.523557 0.031920 BFGS: 73 15:41:04 -1799.526553 0.033150 BFGS: 74 15:41:07 -1799.529610 0.034189 BFGS: 75 15:41:09 -1799.532719 0.035065 BFGS: 76 15:41:12 -1799.535874 0.035800 BFGS: 77 15:41:14 -1799.539069 0.036412 BFGS: 78 15:41:16 -1799.542299 0.036916 BFGS: 79 15:41:19 -1799.545559 0.037325 BFGS: 80 15:41:21 -1799.548846 0.037652 BFGS: 81 15:41:24 -1799.552157 0.037906 BFGS: 82 15:41:26 -1799.555487 0.038097 BFGS: 83 15:41:29 -1799.558836 0.038232 BFGS: 84 15:41:31 -1799.562200 0.038320 BFGS: 85 15:41:33 -1799.565577 0.038366 BFGS: 86 15:41:36 -1799.568967 0.038377 BFGS: 87 15:41:38 -1799.572368 0.038359 BFGS: 88 15:41:41 -1799.575779 0.038319 BFGS: 89 15:41:43 -1799.579198 0.038262 BFGS: 90 15:41:46 -1799.582625 0.038189 BFGS: 91 15:41:48 -1799.586059 0.038104 BFGS: 92 15:41:50 -1799.589503 0.038013 BFGS: 93 15:41:53 -1799.592954 0.037918 BFGS: 94 15:41:55 -1799.596415 0.037823 BFGS: 95 15:41:58 -1799.599885 0.037731 BFGS: 96 15:42:00 -1799.603366 0.037646 BFGS: 97 15:42:03 -1799.606857 0.037570 BFGS: 98 15:42:05 -1799.610359 0.037505 BFGS: 99 15:42:07 -1799.613873 0.037453 BFGS: 100 15:42:10 -1799.617400 0.037411 BFGS: 101 15:42:12 -1799.620937 0.037385 BFGS: 102 15:42:15 -1799.624484 0.037379 BFGS: 103 15:42:17 -1799.628042 0.037395 BFGS: 104 15:42:20 -1799.631613 0.037433 BFGS: 105 15:42:22 -1799.635196 0.037493 BFGS: 106 15:42:25 -1799.638792 0.037575 BFGS: 107 15:42:27 -1799.642398 0.037677 BFGS: 108 15:42:29 -1799.646015 0.037798 BFGS: 109 15:42:32 -1799.649641 0.037938 BFGS: 110 15:42:34 -1799.653275 0.038094 BFGS: 111 15:42:37 -1799.656914 0.038266 BFGS: 112 15:42:39 -1799.660556 0.038452 BFGS: 113 15:42:42 -1799.664201 0.038650 BFGS: 114 15:42:44 -1799.667846 0.038858 BFGS: 115 15:42:47 -1799.671489 0.039076 BFGS: 116 15:42:49 -1799.675130 0.039299 BFGS: 117 15:42:52 -1799.678767 0.039527 BFGS: 118 15:42:54 -1799.682399 0.039757 BFGS: 119 15:42:56 -1799.686024 0.039987 BFGS: 120 15:42:59 -1799.689642 0.040215 BFGS: 121 15:43:01 -1799.693252 0.040440 BFGS: 122 15:43:04 -1799.696853 0.040659 BFGS: 123 15:43:06 -1799.700445 0.040872 BFGS: 124 15:43:09 -1799.704028 0.041078 BFGS: 125 15:43:11 -1799.707599 0.041274 BFGS: 126 15:43:14 -1799.711161 0.041461 BFGS: 127 15:43:16 -1799.714711 0.041639 BFGS: 128 15:43:19 -1799.718250 0.041807 BFGS: 129 15:43:21 -1799.721778 0.041965 BFGS: 130 15:43:24 -1799.725294 0.042112 BFGS: 131 15:43:26 -1799.728799 0.042248 BFGS: 132 15:43:28 -1799.732292 0.042373 BFGS: 133 15:43:31 -1799.735774 0.042488 BFGS: 134 15:43:33 -1799.739243 0.042592 BFGS: 135 15:43:36 -1799.742701 0.042687 BFGS: 136 15:43:38 -1799.746148 0.042765 BFGS: 137 15:43:41 -1799.749568 0.042843 BFGS: 138 15:43:43 -1799.752962 0.042921 BFGS: 139 15:43:46 -1799.756336 0.043001 BFGS: 140 15:43:48 -1799.759688 0.043077 BFGS: 141 15:43:51 -1799.763022 0.043148 BFGS: 142 15:43:53 -1799.766341 0.043218 BFGS: 143 15:43:56 -1799.769649 0.043288 BFGS: 144 15:43:59 -1799.772948 0.043357 BFGS: 145 15:44:01 -1799.776238 0.043426 BFGS: 146 15:44:04 -1799.779522 0.043495 BFGS: 147 15:44:06 -1799.782794 0.043560 BFGS: 148 15:44:09 -1799.786055 0.043631 BFGS: 149 15:44:11 -1799.789309 0.043707 BFGS: 150 15:44:14 -1799.792558 0.043788 BFGS: 151 15:44:16 -1799.795803 0.043877 BFGS: 152 15:44:19 -1799.799046 0.043974 BFGS: 153 15:44:21 -1799.802287 0.044080 BFGS: 154 15:44:24 -1799.805525 0.044210 BFGS: 155 15:44:27 -1799.808737 0.044278 BFGS: 156 15:44:29 -1799.811938 0.044326 BFGS: 157 15:44:32 -1799.815134 0.044359 BFGS: 158 15:44:34 -1799.818325 0.044387 BFGS: 159 15:44:37 -1799.821511 0.044412 BFGS: 160 15:44:39 -1799.824694 0.044439 BFGS: 161 15:44:42 -1799.827873 0.044469 BFGS: 162 15:44:44 -1799.831049 0.044505 BFGS: 163 15:44:47 -1799.834223 0.044548 BFGS: 164 15:44:49 -1799.837395 0.044600 BFGS: 165 15:44:52 -1799.840567 0.044662 BFGS: 166 15:44:54 -1799.843738 0.044735 BFGS: 167 15:44:57 -1799.846911 0.044820 BFGS: 168 15:44:59 -1799.850086 0.044918 BFGS: 169 15:45:02 -1799.853265 0.045029 BFGS: 170 15:45:04 -1799.856448 0.045156 BFGS: 171 15:45:07 -1799.859638 0.045297 BFGS: 172 15:45:09 -1799.862834 0.045454 BFGS: 173 15:45:12 -1799.866040 0.045628 BFGS: 174 15:45:15 -1799.869256 0.045819 BFGS: 175 15:45:17 -1799.872483 0.046028 BFGS: 176 15:45:20 -1799.875722 0.046255 BFGS: 177 15:45:22 -1799.878976 0.046501 BFGS: 178 15:45:25 -1799.882244 0.046766 BFGS: 179 15:45:27 -1799.885529 0.047050 BFGS: 180 15:45:30 -1799.888829 0.047353 BFGS: 181 15:45:32 -1799.892144 0.047676 BFGS: 182 15:45:35 -1799.895453 0.048016 BFGS: 183 15:45:37 -1799.898759 0.048367 BFGS: 184 15:45:40 -1799.902066 0.048732 BFGS: 185 15:45:42 -1799.905378 0.049113 BFGS: 186 15:45:45 -1799.908692 0.049509 BFGS: 187 15:45:47 -1799.912009 0.049920 BFGS: 188 15:45:50 -1799.915325 0.050345 BFGS: 189 15:45:52 -1799.918640 0.050784 BFGS: 190 15:45:55 -1799.921951 0.051237 BFGS: 191 15:45:57 -1799.925259 0.051704 BFGS: 192 15:46:00 -1799.928562 0.052184 BFGS: 193 15:46:03 -1799.931851 0.052667 BFGS: 194 15:46:05 -1799.935131 0.053165 BFGS: 195 15:46:08 -1799.938400 0.053669 BFGS: 196 15:46:10 -1799.941657 0.054177 BFGS: 197 15:46:13 -1799.944903 0.054679 BFGS: 198 15:46:15 -1799.948137 0.055169 BFGS: 199 15:46:18 -1799.951360 0.055639 BFGS: 200 15:46:20 -1799.954576 0.056084 BFGS: 201 15:46:23 -1799.957786 0.056496 BFGS: 202 15:46:25 -1799.960993 0.056871 BFGS: 203 15:46:28 -1799.964202 0.057204 BFGS: 204 15:46:30 -1799.967415 0.057493 BFGS: 205 15:46:33 -1799.970637 0.057736 BFGS: 206 15:46:35 -1799.973870 0.057934 BFGS: 207 15:46:38 -1799.977118 0.058090 BFGS: 208 15:46:40 -1799.980381 0.058205 BFGS: 209 15:46:43 -1799.983663 0.058283 BFGS: 210 15:46:45 -1799.986963 0.058329 BFGS: 211 15:46:48 -1799.990283 0.058347 BFGS: 212 15:46:51 -1799.993623 0.058340 BFGS: 213 15:46:53 -1799.996984 0.058314 BFGS: 214 15:46:56 -1800.000366 0.058271 BFGS: 215 15:46:58 -1800.003769 0.058214 BFGS: 216 15:47:01 -1800.007194 0.058146 BFGS: 217 15:47:03 -1800.010633 0.058090 BFGS: 218 15:47:06 -1800.014074 0.058052 BFGS: 219 15:47:08 -1800.017522 0.058006 BFGS: 220 15:47:11 -1800.020985 0.057956 BFGS: 221 15:47:13 -1800.024466 0.057896 BFGS: 222 15:47:16 -1800.027970 0.057826 BFGS: 223 15:47:19 -1800.031501 0.057742 BFGS: 224 15:47:21 -1800.035061 0.057641 BFGS: 225 15:47:24 -1800.038656 0.057521 BFGS: 226 15:47:26 -1800.042287 0.057377 BFGS: 227 15:47:29 -1800.045960 0.057209 BFGS: 228 15:47:31 -1800.049671 0.057021 BFGS: 229 15:47:34 -1800.053374 0.056834 BFGS: 230 15:47:37 -1800.057089 0.056614 BFGS: 231 15:47:39 -1800.060831 0.056353 BFGS: 232 15:47:42 -1800.064613 0.056038 BFGS: 233 15:47:44 -1800.068444 0.055661 BFGS: 234 15:47:47 -1800.072330 0.055216 BFGS: 235 15:47:50 -1800.076275 0.054698 BFGS: 236 15:47:52 -1800.080280 0.054102 BFGS: 237 15:47:55 -1800.084341 0.053431 BFGS: 238 15:47:58 -1800.088453 0.052687 BFGS: 239 15:48:00 -1800.092605 0.051879 BFGS: 240 15:48:03 -1800.096781 0.051021 BFGS: 241 15:48:05 -1800.100960 0.050131 BFGS: 242 15:48:08 -1800.105117 0.049236 BFGS: 243 15:48:11 -1800.109223 0.048363 BFGS: 244 15:48:13 -1800.113242 0.047566 BFGS: 245 15:48:16 -1800.117143 0.046882 BFGS: 246 15:48:19 -1800.120898 0.046359 BFGS: 247 15:48:21 -1800.124485 0.046035 BFGS: 248 15:48:24 -1800.127915 0.045916 BFGS: 249 15:48:26 -1800.131402 0.045839 BFGS: 250 15:48:29 -1800.135190 0.045732 BFGS: 251 15:48:32 -1800.139477 0.045587 BFGS: 252 15:48:34 -1800.144441 0.045408 BFGS: 253 15:48:37 -1800.150270 0.045205 BFGS: 254 15:48:40 -1800.157177 0.044978 BFGS: 255 15:48:42 -1800.165392 0.044718 BFGS: 256 15:48:45 -1800.175146 0.044412 BFGS: 257 15:48:48 -1800.186661 0.044048 BFGS: 258 15:48:50 -1800.200246 0.043619 BFGS: 259 15:48:53 -1800.216515 0.043115 BFGS: 260 15:48:55 -1800.236506 0.042456 BFGS: 261 15:48:58 -1800.262507 0.041611 BFGS: 262 15:49:01 -1800.298266 0.040351 BFGS: 263 15:49:03 -1800.347715 0.038521 BFGS: 264 15:49:06 -1800.405807 0.039622 BFGS: 265 15:49:09 -1800.435270 0.034564 BFGS: 266 15:49:11 -1800.468433 0.034496 BFGS: 267 15:49:14 -1800.484154 0.033237 BFGS: 268 15:49:17 -1800.497047 0.031554 BFGS: 269 15:49:19 -1800.510359 0.028961 BFGS: 270 15:49:22 -1800.523599 0.026165 BFGS: 271 15:49:25 -1800.539075 0.023701 BFGS: 272 15:49:27 -1800.561147 0.024394 BFGS: 273 15:49:30 -1800.585893 0.026677 BFGS: 274 15:49:32 -1800.630071 0.029984 BFGS: 275 15:49:35 -1800.687532 0.029398 BFGS: 276 15:49:38 -1800.752311 0.042057 BFGS: 277 15:49:40 -1800.855376 0.031619 BFGS: 278 15:49:43 -1800.886722 0.013655 BFGS: 279 15:49:46 -1800.888184 0.016273 BFGS: 280 15:49:48 -1800.889482 0.012225 BFGS: 281 15:49:51 -1800.890632 0.012578 BFGS: 282 15:49:53 -1800.891415 0.012710 BFGS: 283 15:49:56 -1800.893381 0.012962 BFGS: 284 15:49:59 -1800.895228 0.016811 BFGS: 285 15:50:01 -1800.897083 0.019428 BFGS: 286 15:50:04 -1800.898914 0.020211 BFGS: 287 15:50:07 -1800.900638 0.019514 BFGS: 288 15:50:09 -1800.902171 0.017665 BFGS: 289 15:50:12 -1800.903448 0.015029 BFGS: 290 15:50:15 -1800.904450 0.011838 BFGS: 291 15:50:17 -1800.905173 0.008565 BFGS: 292 15:50:20 -1800.905636 0.007207 BFGS: 293 15:50:23 -1800.905857 0.006468 BFGS: 294 15:50:25 -1800.905898 0.006298 BFGS: 295 15:50:28 -1800.905936 0.006334 BFGS: 296 15:50:31 -1800.905955 0.006418 BFGS: 297 15:50:33 -1800.905975 0.006628 BFGS: 298 15:50:36 -1800.905984 0.006708 BFGS: 299 15:50:39 -1800.905992 0.006811 BFGS: 300 15:50:41 -1800.905995 0.006811 BFGS: 301 15:50:44 -1800.905998 0.006795 BFGS: 302 15:50:47 -1800.905998 0.006789 BFGS: 303 15:50:49 -1800.905998 0.006780 BFGS: 304 15:50:52 -1800.905998 0.006769 BFGS: 305 15:50:55 -1800.905999 0.006749 BFGS: 306 15:50:58 -1800.906000 0.006719 BFGS: 307 15:51:00 -1800.906004 0.006666 BFGS: 308 15:51:03 -1800.906014 0.006579 BFGS: 309 15:51:06 -1800.906041 0.006430 BFGS: 310 15:51:08 -1800.906112 0.006172 BFGS: 311 15:51:11 -1800.906291 0.007346 BFGS: 312 15:51:14 -1800.906637 0.008841 BFGS: 313 15:51:16 -1800.907145 0.010016 BFGS: 314 15:51:19 -1800.907833 0.010891 BFGS: 315 15:51:22 -1800.908701 0.011467 BFGS: 316 15:51:24 -1800.909737 0.011707 BFGS: 317 15:51:27 -1800.910905 0.011528 BFGS: 318 15:51:30 -1800.912139 0.010793 BFGS: 319 15:51:32 -1800.913322 0.009289 BFGS: 320 15:51:35 -1800.914273 0.006642 BFGS: 321 15:51:38 -1800.914700 0.001833 BFGS: 322 15:51:41 -1800.914725 0.000486 BFGS: 323 15:51:43 -1800.914735 0.000139 BFGS: 324 15:51:46 -1800.914737 0.000038 BFGS: 325 15:51:49 -1800.914737 0.000015 BFGS: 326 15:51:51 -1800.914737 0.000005 BFGS: 327 15:51:54 -1800.914737 0.000001 BFGS: 328 15:51:57 -1800.914737 0.000000 BFGS: 329 15:51:59 -1800.914737 0.000000 BFGS: 330 15:52:02 -1800.914737 0.000000 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