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 16:17:58 -1777.266735 0.098650 BFGS: 1 16:18:03 -1777.294403 0.094544 BFGS: 2 16:18:06 -1777.486535 0.189188 BFGS: 3 16:18:11 -1777.554039 0.116774 BFGS: 4 16:18:16 -1777.609763 0.105563 BFGS: 5 16:18:20 -1778.275643 0.382321 BFGS: 6 16:18:25 -1778.818125 1.185172 BFGS: 7 16:18:29 -1779.537417 2.169468 BFGS: 8 16:18:33 -1782.286835 1.985240 BFGS: 9 16:18:38 -1786.419003 0.809581 BFGS: 10 16:18:41 -1787.367615 0.448172 BFGS: 11 16:18:46 -1788.383012 0.359774 BFGS: 12 16:18:50 -1788.964509 0.354520 BFGS: 13 16:18:54 -1789.266362 0.330691 BFGS: 14 16:18:57 -1789.959670 0.375431 BFGS: 15 16:19:02 -1790.683983 0.458164 BFGS: 16 16:19:06 -1791.456309 0.506834 BFGS: 17 16:19:11 -1792.272186 0.536831 BFGS: 18 16:19:17 -1793.130972 0.552111 BFGS: 19 16:19:23 -1794.028896 0.555337 BFGS: 20 16:19:29 -1794.950026 0.579888 BFGS: 21 16:19:34 -1795.868727 0.584881 BFGS: 22 16:19:40 -1796.754145 0.565217 BFGS: 23 16:19:45 -1797.568925 0.516553 BFGS: 24 16:19:51 -1798.266002 0.435082 BFGS: 25 16:19:54 -1798.790552 0.318501 BFGS: 26 16:19:59 -1799.091891 0.167313 BFGS: 27 16:20:03 -1799.162481 0.079731 BFGS: 28 16:20:08 -1799.183921 0.094250 BFGS: 29 16:20:12 -1799.291637 0.136613 BFGS: 30 16:20:15 -1799.358042 0.125027 BFGS: 31 16:20:21 -1799.410897 0.086220 BFGS: 32 16:20:26 -1799.433506 0.061888 BFGS: 33 16:20:31 -1799.446701 0.046538 BFGS: 34 16:20:34 -1799.453630 0.030756 BFGS: 35 16:20:38 -1799.457166 0.022642 BFGS: 36 16:20:41 -1799.459116 0.020592 BFGS: 37 16:20:45 -1799.460658 0.020457 BFGS: 38 16:20:49 -1799.462318 0.020460 BFGS: 39 16:20:53 -1799.464461 0.020654 BFGS: 40 16:20:57 -1799.467167 0.021412 BFGS: 41 16:21:02 -1799.469704 0.022870 BFGS: 42 16:21:07 -1799.471009 0.024409 BFGS: 43 16:21:10 -1799.471320 0.025206 BFGS: 44 16:21:15 -1799.471389 0.025454 BFGS: 45 16:21:20 -1799.471467 0.025641 BFGS: 46 16:21:24 -1799.471664 0.025939 BFGS: 47 16:21:29 -1799.472152 0.026365 BFGS: 48 16:21:33 -1799.473389 0.026952 BFGS: 49 16:21:36 -1799.475756 0.027398 BFGS: 50 16:21:40 -1799.478321 0.030121 BFGS: 51 16:21:44 -1799.481095 0.032561 BFGS: 52 16:21:48 -1799.483996 0.033403 BFGS: 53 16:21:52 -1799.486929 0.033032 BFGS: 54 16:21:56 -1799.489801 0.031692 BFGS: 55 16:22:01 -1799.492525 0.029556 BFGS: 56 16:22:05 -1799.495023 0.026755 BFGS: 57 16:22:08 -1799.497227 0.023386 BFGS: 58 16:22:12 -1799.499082 0.022496 BFGS: 59 16:22:16 -1799.500549 0.021569 BFGS: 60 16:22:21 -1799.501604 0.020603 BFGS: 61 16:22:27 -1799.502260 0.019602 BFGS: 62 16:22:32 -1799.502606 0.018871 BFGS: 63 16:22:37 -1799.503045 0.018306 BFGS: 64 16:22:40 -1799.504215 0.017388 BFGS: 65 16:22:45 -1799.505798 0.017057 BFGS: 66 16:22:50 -1799.507752 0.019457 BFGS: 67 16:22:56 -1799.509989 0.022310 BFGS: 68 16:23:00 -1799.512440 0.024648 BFGS: 69 16:23:07 -1799.515052 0.026701 BFGS: 70 16:23:14 -1799.517791 0.028746 BFGS: 71 16:23:23 -1799.520632 0.030467 BFGS: 72 16:23:29 -1799.523557 0.031920 BFGS: 73 16:23:34 -1799.526553 0.033150 BFGS: 74 16:23:38 -1799.529610 0.034189 BFGS: 75 16:23:42 -1799.532719 0.035065 BFGS: 76 16:23:46 -1799.535874 0.035800 BFGS: 77 16:23:50 -1799.539069 0.036412 BFGS: 78 16:23:54 -1799.542299 0.036916 BFGS: 79 16:23:58 -1799.545559 0.037325 BFGS: 80 16:24:02 -1799.548846 0.037652 BFGS: 81 16:24:05 -1799.552157 0.037906 BFGS: 82 16:24:09 -1799.555487 0.038097 BFGS: 83 16:24:12 -1799.558836 0.038232 BFGS: 84 16:24:17 -1799.562200 0.038320 BFGS: 85 16:24:22 -1799.565577 0.038366 BFGS: 86 16:24:26 -1799.568967 0.038377 BFGS: 87 16:24:29 -1799.572368 0.038359 BFGS: 88 16:24:33 -1799.575779 0.038319 BFGS: 89 16:24:36 -1799.579198 0.038262 BFGS: 90 16:24:40 -1799.582625 0.038189 BFGS: 91 16:24:43 -1799.586059 0.038104 BFGS: 92 16:24:47 -1799.589503 0.038013 BFGS: 93 16:24:50 -1799.592954 0.037918 BFGS: 94 16:24:53 -1799.596415 0.037823 BFGS: 95 16:24:57 -1799.599885 0.037731 BFGS: 96 16:25:00 -1799.603366 0.037646 BFGS: 97 16:25:04 -1799.606857 0.037570 BFGS: 98 16:25:07 -1799.610359 0.037505 BFGS: 99 16:25:11 -1799.613873 0.037453 BFGS: 100 16:25:14 -1799.617400 0.037411 BFGS: 101 16:25:18 -1799.620937 0.037385 BFGS: 102 16:25:21 -1799.624484 0.037379 BFGS: 103 16:25:25 -1799.628042 0.037395 BFGS: 104 16:25:29 -1799.631613 0.037433 BFGS: 105 16:25:32 -1799.635196 0.037493 BFGS: 106 16:25:35 -1799.638792 0.037575 BFGS: 107 16:25:38 -1799.642398 0.037677 BFGS: 108 16:25:42 -1799.646015 0.037798 BFGS: 109 16:25:45 -1799.649641 0.037938 BFGS: 110 16:25:49 -1799.653275 0.038094 BFGS: 111 16:25:54 -1799.656914 0.038266 BFGS: 112 16:25:58 -1799.660556 0.038452 BFGS: 113 16:26:01 -1799.664201 0.038650 BFGS: 114 16:26:05 -1799.667846 0.038858 BFGS: 115 16:26:08 -1799.671489 0.039076 BFGS: 116 16:26:12 -1799.675130 0.039299 BFGS: 117 16:26:15 -1799.678767 0.039527 BFGS: 118 16:26:19 -1799.682399 0.039757 BFGS: 119 16:26:22 -1799.686024 0.039987 BFGS: 120 16:26:25 -1799.689642 0.040215 BFGS: 121 16:26:29 -1799.693252 0.040440 BFGS: 122 16:26:32 -1799.696853 0.040659 BFGS: 123 16:26:36 -1799.700445 0.040872 BFGS: 124 16:26:39 -1799.704028 0.041078 BFGS: 125 16:26:42 -1799.707599 0.041274 BFGS: 126 16:26:46 -1799.711161 0.041461 BFGS: 127 16:26:49 -1799.714711 0.041639 BFGS: 128 16:26:53 -1799.718250 0.041807 BFGS: 129 16:26:56 -1799.721778 0.041965 BFGS: 130 16:27:00 -1799.725294 0.042112 BFGS: 131 16:27:03 -1799.728799 0.042248 BFGS: 132 16:27:06 -1799.732292 0.042373 BFGS: 133 16:27:09 -1799.735774 0.042488 BFGS: 134 16:27:13 -1799.739243 0.042592 BFGS: 135 16:27:17 -1799.742701 0.042687 BFGS: 136 16:27:21 -1799.746148 0.042765 BFGS: 137 16:27:24 -1799.749568 0.042843 BFGS: 138 16:27:27 -1799.752962 0.042921 BFGS: 139 16:27:31 -1799.756336 0.043001 BFGS: 140 16:27:34 -1799.759688 0.043077 BFGS: 141 16:27:37 -1799.763022 0.043148 BFGS: 142 16:27:40 -1799.766341 0.043218 BFGS: 143 16:27:44 -1799.769649 0.043288 BFGS: 144 16:27:47 -1799.772948 0.043357 BFGS: 145 16:27:51 -1799.776238 0.043426 BFGS: 146 16:27:55 -1799.779522 0.043495 BFGS: 147 16:27:58 -1799.782794 0.043560 BFGS: 148 16:28:02 -1799.786055 0.043631 BFGS: 149 16:28:05 -1799.789309 0.043707 BFGS: 150 16:28:09 -1799.792558 0.043788 BFGS: 151 16:28:12 -1799.795803 0.043877 BFGS: 152 16:28:16 -1799.799046 0.043974 BFGS: 153 16:28:20 -1799.802287 0.044080 BFGS: 154 16:28:23 -1799.805525 0.044210 BFGS: 155 16:28:26 -1799.808737 0.044278 BFGS: 156 16:28:30 -1799.811938 0.044326 BFGS: 157 16:28:33 -1799.815134 0.044359 BFGS: 158 16:28:37 -1799.818325 0.044387 BFGS: 159 16:28:40 -1799.821511 0.044412 BFGS: 160 16:28:43 -1799.824694 0.044439 BFGS: 161 16:28:47 -1799.827873 0.044469 BFGS: 162 16:28:50 -1799.831049 0.044505 BFGS: 163 16:28:53 -1799.834223 0.044548 BFGS: 164 16:28:57 -1799.837395 0.044600 BFGS: 165 16:29:00 -1799.840567 0.044662 BFGS: 166 16:29:04 -1799.843738 0.044735 BFGS: 167 16:29:07 -1799.846911 0.044820 BFGS: 168 16:29:10 -1799.850086 0.044918 BFGS: 169 16:29:14 -1799.853265 0.045029 BFGS: 170 16:29:17 -1799.856448 0.045156 BFGS: 171 16:29:21 -1799.859638 0.045297 BFGS: 172 16:29:24 -1799.862834 0.045454 BFGS: 173 16:29:28 -1799.866040 0.045628 BFGS: 174 16:29:31 -1799.869256 0.045819 BFGS: 175 16:29:35 -1799.872483 0.046028 BFGS: 176 16:29:39 -1799.875722 0.046255 BFGS: 177 16:29:42 -1799.878976 0.046501 BFGS: 178 16:29:46 -1799.882244 0.046766 BFGS: 179 16:29:49 -1799.885529 0.047050 BFGS: 180 16:29:52 -1799.888829 0.047353 BFGS: 181 16:29:56 -1799.892144 0.047676 BFGS: 182 16:30:01 -1799.895453 0.048016 BFGS: 183 16:30:04 -1799.898759 0.048367 BFGS: 184 16:30:08 -1799.902066 0.048732 BFGS: 185 16:30:12 -1799.905378 0.049113 BFGS: 186 16:30:16 -1799.908692 0.049509 BFGS: 187 16:30:20 -1799.912009 0.049920 BFGS: 188 16:30:23 -1799.915325 0.050345 BFGS: 189 16:30:27 -1799.918640 0.050784 BFGS: 190 16:30:30 -1799.921951 0.051237 BFGS: 191 16:30:33 -1799.925259 0.051704 BFGS: 192 16:30:36 -1799.928562 0.052184 BFGS: 193 16:30:40 -1799.931851 0.052667 BFGS: 194 16:30:43 -1799.935131 0.053165 BFGS: 195 16:30:46 -1799.938400 0.053669 BFGS: 196 16:30:50 -1799.941657 0.054177 BFGS: 197 16:30:53 -1799.944903 0.054679 BFGS: 198 16:30:56 -1799.948137 0.055169 BFGS: 199 16:31:00 -1799.951360 0.055639 BFGS: 200 16:31:03 -1799.954576 0.056084 BFGS: 201 16:31:07 -1799.957786 0.056496 BFGS: 202 16:31:10 -1799.960993 0.056871 BFGS: 203 16:31:14 -1799.964202 0.057204 BFGS: 204 16:31:17 -1799.967415 0.057493 BFGS: 205 16:31:21 -1799.970637 0.057736 BFGS: 206 16:31:24 -1799.973870 0.057934 BFGS: 207 16:31:28 -1799.977118 0.058090 BFGS: 208 16:31:32 -1799.980381 0.058205 BFGS: 209 16:31:35 -1799.983663 0.058283 BFGS: 210 16:31:39 -1799.986963 0.058329 BFGS: 211 16:31:42 -1799.990283 0.058347 BFGS: 212 16:31:45 -1799.993623 0.058340 BFGS: 213 16:31:49 -1799.996984 0.058314 BFGS: 214 16:31:52 -1800.000366 0.058271 BFGS: 215 16:31:56 -1800.003769 0.058214 BFGS: 216 16:32:00 -1800.007194 0.058146 BFGS: 217 16:32:03 -1800.010633 0.058090 BFGS: 218 16:32:07 -1800.014074 0.058052 BFGS: 219 16:32:10 -1800.017522 0.058006 BFGS: 220 16:32:13 -1800.020985 0.057956 BFGS: 221 16:32:17 -1800.024466 0.057896 BFGS: 222 16:32:20 -1800.027970 0.057826 BFGS: 223 16:32:24 -1800.031501 0.057742 BFGS: 224 16:32:27 -1800.035061 0.057641 BFGS: 225 16:32:30 -1800.038656 0.057521 BFGS: 226 16:32:35 -1800.042287 0.057377 BFGS: 227 16:32:38 -1800.045960 0.057209 BFGS: 228 16:32:42 -1800.049671 0.057021 BFGS: 229 16:32:45 -1800.053374 0.056834 BFGS: 230 16:32:49 -1800.057089 0.056614 BFGS: 231 16:32:52 -1800.060831 0.056353 BFGS: 232 16:32:56 -1800.064613 0.056038 BFGS: 233 16:32:59 -1800.068444 0.055661 BFGS: 234 16:33:03 -1800.072330 0.055216 BFGS: 235 16:33:06 -1800.076275 0.054698 BFGS: 236 16:33:10 -1800.080280 0.054102 BFGS: 237 16:33:13 -1800.084341 0.053431 BFGS: 238 16:33:17 -1800.088453 0.052687 BFGS: 239 16:33:20 -1800.092605 0.051879 BFGS: 240 16:33:25 -1800.096781 0.051021 BFGS: 241 16:33:29 -1800.100960 0.050131 BFGS: 242 16:33:34 -1800.105117 0.049236 BFGS: 243 16:33:37 -1800.109223 0.048363 BFGS: 244 16:33:41 -1800.113242 0.047566 BFGS: 245 16:33:45 -1800.117143 0.046882 BFGS: 246 16:33:48 -1800.120898 0.046359 BFGS: 247 16:33:52 -1800.124485 0.046035 BFGS: 248 16:33:57 -1800.127915 0.045916 BFGS: 249 16:34:01 -1800.131402 0.045839 BFGS: 250 16:34:07 -1800.135190 0.045732 BFGS: 251 16:34:12 -1800.139477 0.045587 BFGS: 252 16:34:17 -1800.144441 0.045408 BFGS: 253 16:34:21 -1800.150270 0.045205 BFGS: 254 16:34:26 -1800.157177 0.044978 BFGS: 255 16:34:31 -1800.165393 0.044718 BFGS: 256 16:34:36 -1800.175146 0.044412 BFGS: 257 16:34:40 -1800.186661 0.044048 BFGS: 258 16:34:43 -1800.200246 0.043619 BFGS: 259 16:34:47 -1800.216515 0.043115 BFGS: 260 16:34:50 -1800.236506 0.042456 BFGS: 261 16:34:54 -1800.262507 0.041611 BFGS: 262 16:34:57 -1800.298266 0.040351 BFGS: 263 16:35:01 -1800.347715 0.038521 BFGS: 264 16:35:04 -1800.405808 0.039622 BFGS: 265 16:35:08 -1800.435270 0.034564 BFGS: 266 16:35:12 -1800.468434 0.034496 BFGS: 267 16:35:15 -1800.484154 0.033237 BFGS: 268 16:35:19 -1800.497048 0.031554 BFGS: 269 16:35:23 -1800.510360 0.028961 BFGS: 270 16:35:26 -1800.523600 0.026165 BFGS: 271 16:35:29 -1800.539075 0.023701 BFGS: 272 16:35:33 -1800.561147 0.024394 BFGS: 273 16:35:36 -1800.585894 0.026677 BFGS: 274 16:35:40 -1800.630074 0.029984 BFGS: 275 16:35:43 -1800.687536 0.029398 BFGS: 276 16:35:48 -1800.752322 0.042059 BFGS: 277 16:35:52 -1800.855385 0.031611 BFGS: 278 16:35:55 -1800.886723 0.013649 BFGS: 279 16:35:59 -1800.888185 0.016266 BFGS: 280 16:36:03 -1800.889483 0.012227 BFGS: 281 16:36:06 -1800.890632 0.012580 BFGS: 282 16:36:10 -1800.891416 0.012711 BFGS: 283 16:36:15 -1800.893383 0.012960 BFGS: 284 16:36:22 -1800.895230 0.016801 BFGS: 285 16:36:29 -1800.897085 0.019417 BFGS: 286 16:36:36 -1800.898915 0.020204 BFGS: 287 16:36:44 -1800.900638 0.019513 BFGS: 288 16:36:49 -1800.902172 0.017671 BFGS: 289 16:36:54 -1800.903449 0.015042 BFGS: 290 16:36:59 -1800.904452 0.011858 BFGS: 291 16:37:03 -1800.905177 0.008588 BFGS: 292 16:37:06 -1800.905641 0.007209 BFGS: 293 16:37:10 -1800.905864 0.006470 BFGS: 294 16:37:14 -1800.905906 0.006295 BFGS: 295 16:37:19 -1800.905943 0.006326 BFGS: 296 16:37:22 -1800.905963 0.006410 BFGS: 297 16:37:26 -1800.905983 0.006618 BFGS: 298 16:37:30 -1800.905992 0.006702 BFGS: 299 16:37:35 -1800.906000 0.006810 BFGS: 300 16:37:38 -1800.906004 0.006812 BFGS: 301 16:37:42 -1800.906006 0.006798 BFGS: 302 16:37:45 -1800.906006 0.006791 BFGS: 303 16:37:49 -1800.906006 0.006778 BFGS: 304 16:37:53 -1800.906006 0.006775 BFGS: 305 16:37:56 -1800.906007 0.006760 BFGS: 306 16:38:00 -1800.906007 0.006743 BFGS: 307 16:38:03 -1800.906009 0.006710 BFGS: 308 16:38:07 -1800.906014 0.006658 BFGS: 309 16:38:11 -1800.906026 0.006568 BFGS: 310 16:38:15 -1800.906057 0.006415 BFGS: 311 16:38:19 -1800.906137 0.006368 BFGS: 312 16:38:23 -1800.906343 0.007984 BFGS: 313 16:38:29 -1800.906719 0.009601 BFGS: 314 16:38:34 -1800.907265 0.010856 BFGS: 315 16:38:38 -1800.907995 0.011770 BFGS: 316 16:38:41 -1800.908905 0.012338 BFGS: 317 16:38:45 -1800.909973 0.012511 BFGS: 318 16:38:48 -1800.911157 0.012193 BFGS: 319 16:38:53 -1800.912375 0.011238 BFGS: 320 16:38:57 -1800.913501 0.009428 BFGS: 321 16:39:01 -1800.914365 0.006391 BFGS: 322 16:39:04 -1800.914697 0.001322 BFGS: 323 16:39:08 -1800.914724 0.000442 BFGS: 324 16:39:12 -1800.914734 0.000308 BFGS: 325 16:39:16 -1800.914737 0.000053 BFGS: 326 16:39:20 -1800.914737 0.000022 BFGS: 327 16:39:24 -1800.914737 0.000004 BFGS: 328 16:39:28 -1800.914737 0.000001 BFGS: 329 16:39:32 -1800.914737 0.000000 BFGS: 330 16:39:36 -1800.914737 0.000000 BFGS: 331 16:39:39 -1800.914737 0.000000 Minimization converged after 331 steps. Maximum force component: 2.5949423743689928e-09 eV/Angstrom Maximum stress component: 2.660533183696775e-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 = [[8.63549850e-36 5.15680801e-02 5.89813677e-01] [9.61711374e-36 9.48431920e-01 5.89813677e-01] [0.00000000e+00 5.15680801e-02 4.10186323e-01] [0.00000000e+00 9.48431920e-01 4.10186323e-01] [5.89813677e-01 1.00000000e+00 5.15680801e-02] [5.89813677e-01 1.00000000e+00 9.48431920e-01] [4.10186323e-01 1.00000000e+00 5.15680801e-02] [4.10186323e-01 1.00000000e+00 9.48431920e-01] [5.15680801e-02 5.89813677e-01 9.05417110e-36] [9.48431920e-01 5.89813677e-01 9.01988250e-36] [5.15680801e-02 4.10186323e-01 0.00000000e+00] [9.48431920e-01 4.10186323e-01 0.00000000e+00] [1.96979235e-36 5.51568080e-01 8.98136771e-02] [2.34513560e-35 4.48431920e-01 8.98136771e-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] [5.15680801e-02 8.98136771e-02 5.00000000e-01] [9.48431920e-01 8.98136771e-02 5.00000000e-01] [5.15680801e-02 9.10186323e-01 5.00000000e-01] [9.48431920e-01 9.10186323e-01 5.00000000e-01] [5.00000000e-01 5.15680801e-02 8.98136771e-02] [5.00000000e-01 9.48431920e-01 8.98136771e-02] [5.00000000e-01 5.15680801e-02 9.10186323e-01] [5.00000000e-01 9.48431920e-01 9.10186323e-01] [8.98136771e-02 1.00000000e+00 5.51568080e-01] [8.98136771e-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] [8.98136771e-02 5.00000000e-01 5.15680801e-02] [8.98136771e-02 5.00000000e-01 9.48431920e-01] [9.10186323e-01 5.00000000e-01 5.15680801e-02] [9.10186323e-01 5.00000000e-01 9.48431920e-01] [5.51568080e-01 8.98136771e-02 8.74433105e-36] [4.48431920e-01 8.98136771e-02 8.71460527e-36] [5.51568080e-01 9.10186323e-01 0.00000000e+00] [4.48431920e-01 9.10186323e-01 0.00000000e+00] [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] 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[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([[14.14148026691764, -2.544303283729609e-37, 0.0], [-5.5731861763319926e-37, 14.14148026691764, 0.0], [0.0, 0.0, 14.14148026691764]]) forces = [[ 1.59764019e-47 -4.05387447e-10 -2.48523106e-10] [-1.59764019e-47 4.05387447e-10 -2.48523106e-10] [ 1.59764019e-47 -4.05387447e-10 2.48523106e-10] [-1.59764019e-47 4.05387447e-10 2.48523106e-10] [-2.48523106e-10 4.47137175e-48 -4.05387447e-10] [-2.48523106e-10 4.47137175e-48 4.05387447e-10] [ 2.48523106e-10 -4.47137175e-48 -4.05387447e-10] [ 2.48523106e-10 -4.47137175e-48 4.05387447e-10] [-4.05387447e-10 -2.48523106e-10 -4.53925005e-34] [ 4.05387447e-10 -2.48523106e-10 -4.53925005e-34] [-4.05387447e-10 2.48523106e-10 0.00000000e+00] [ 4.05387447e-10 2.48523106e-10 0.00000000e+00] [ 1.59764019e-47 -4.05387447e-10 -2.48523106e-10] [-1.59764019e-47 4.05387447e-10 -2.48523106e-10] [ 1.59764019e-47 -4.05387447e-10 2.48523106e-10] [-1.59764019e-47 4.05387447e-10 2.48523106e-10] [-2.48523106e-10 4.47137175e-48 -4.05387447e-10] [-2.48523106e-10 4.47137175e-48 4.05387447e-10] [ 2.48523106e-10 -4.47137175e-48 -4.05387447e-10] [ 2.48523106e-10 -4.47137175e-48 4.05387447e-10] [-4.05387447e-10 -2.48523106e-10 -1.81570002e-33] [ 4.05387447e-10 -2.48523106e-10 -1.81570002e-33] [-4.05387447e-10 2.48523106e-10 0.00000000e+00] [ 4.05387447e-10 2.48523106e-10 0.00000000e+00] [ 1.59764019e-47 -4.05387447e-10 -2.48523106e-10] [-1.59764019e-47 4.05387447e-10 -2.48523106e-10] [ 1.59764019e-47 -4.05387447e-10 2.48523106e-10] [-1.59764019e-47 4.05387447e-10 2.48523106e-10] [-2.48523106e-10 4.47137175e-48 -4.05387447e-10] [-2.48523106e-10 4.47137175e-48 4.05387447e-10] [ 2.48523106e-10 -4.47137175e-48 -4.05387447e-10] [ 2.48523106e-10 -4.47137175e-48 4.05387447e-10] [-4.05387447e-10 -2.48523106e-10 0.00000000e+00] [ 4.05387447e-10 -2.48523106e-10 0.00000000e+00] [-4.05387447e-10 2.48523106e-10 0.00000000e+00] [ 4.05387447e-10 2.48523106e-10 0.00000000e+00] [ 1.59764019e-47 -4.05387447e-10 -2.48523106e-10] [-1.59764019e-47 4.05387447e-10 -2.48523106e-10] [ 1.59764019e-47 -4.05387447e-10 2.48523106e-10] [-1.59764019e-47 4.05387447e-10 2.48523106e-10] [-2.48523106e-10 4.47137175e-48 -4.05387447e-10] [-2.48523106e-10 4.47137175e-48 4.05387447e-10] [ 2.48523106e-10 -4.47137175e-48 -4.05387447e-10] [ 2.48523106e-10 -4.47137175e-48 4.05387447e-10] [-4.05387447e-10 -2.48523106e-10 -9.07850010e-34] [ 4.05387447e-10 -2.48523106e-10 -9.07850010e-34] [-4.05387447e-10 2.48523106e-10 0.00000000e+00] [ 4.05387447e-10 2.48523106e-10 0.00000000e+00] [ 1.68206365e-09 8.64390768e-10 5.23810152e-10] [-1.68206365e-09 -8.64390768e-10 5.23810152e-10] [-1.68206365e-09 8.64390768e-10 -5.23810152e-10] [ 1.68206365e-09 -8.64390768e-10 -5.23810152e-10] [ 5.23810152e-10 1.68206365e-09 8.64390768e-10] [ 5.23810152e-10 -1.68206365e-09 -8.64390768e-10] [-5.23810152e-10 -1.68206365e-09 8.64390768e-10] [-5.23810152e-10 1.68206365e-09 -8.64390768e-10] [ 8.64390768e-10 5.23810152e-10 1.68206365e-09] [-8.64390768e-10 5.23810152e-10 -1.68206365e-09] [ 8.64390768e-10 -5.23810152e-10 -1.68206365e-09] [-8.64390768e-10 -5.23810152e-10 1.68206365e-09] [ 1.68206365e-09 8.64390768e-10 5.23810152e-10] [-1.68206365e-09 -8.64390768e-10 5.23810152e-10] [-1.68206365e-09 8.64390768e-10 -5.23810152e-10] [ 1.68206365e-09 -8.64390768e-10 -5.23810152e-10] [ 5.23810152e-10 1.68206365e-09 8.64390768e-10] [ 5.23810152e-10 -1.68206365e-09 -8.64390768e-10] [-5.23810152e-10 -1.68206365e-09 8.64390768e-10] [-5.23810152e-10 1.68206365e-09 -8.64390768e-10] [ 8.64390768e-10 5.23810152e-10 1.68206365e-09] [-8.64390768e-10 5.23810152e-10 -1.68206365e-09] [ 8.64390768e-10 -5.23810152e-10 -1.68206365e-09] [-8.64390768e-10 -5.23810152e-10 1.68206365e-09] [ 1.68206365e-09 8.64390768e-10 5.23810152e-10] [-1.68206365e-09 -8.64390768e-10 5.23810152e-10] [-1.68206365e-09 8.64390768e-10 -5.23810152e-10] [ 1.68206365e-09 -8.64390768e-10 -5.23810152e-10] [ 5.23810152e-10 1.68206365e-09 8.64390768e-10] [ 5.23810152e-10 -1.68206365e-09 -8.64390768e-10] [-5.23810152e-10 -1.68206365e-09 8.64390768e-10] [-5.23810152e-10 1.68206365e-09 -8.64390768e-10] [ 8.64390768e-10 5.23810152e-10 1.68206365e-09] [-8.64390768e-10 5.23810152e-10 -1.68206365e-09] [ 8.64390768e-10 -5.23810152e-10 -1.68206365e-09] [-8.64390768e-10 -5.23810152e-10 1.68206365e-09] [ 1.68206365e-09 8.64390768e-10 5.23810152e-10] [-1.68206365e-09 -8.64390768e-10 5.23810152e-10] [-1.68206365e-09 8.64390768e-10 -5.23810152e-10] [ 1.68206365e-09 -8.64390768e-10 -5.23810152e-10] [ 5.23810152e-10 1.68206365e-09 8.64390768e-10] [ 5.23810152e-10 -1.68206365e-09 -8.64390768e-10] [-5.23810152e-10 -1.68206365e-09 8.64390768e-10] [-5.23810152e-10 1.68206365e-09 -8.64390768e-10] [ 8.64390768e-10 5.23810152e-10 1.68206365e-09] [-8.64390768e-10 5.23810152e-10 -1.68206365e-09] [ 8.64390768e-10 -5.23810152e-10 -1.68206365e-09] [-8.64390768e-10 -5.23810152e-10 1.68206365e-09] [-1.68206365e-09 -8.64390768e-10 -5.23810152e-10] [ 1.68206365e-09 8.64390768e-10 -5.23810152e-10] [ 1.68206365e-09 -8.64390768e-10 5.23810152e-10] [-1.68206365e-09 8.64390768e-10 5.23810152e-10] [-5.23810152e-10 -1.68206365e-09 -8.64390768e-10] [-5.23810152e-10 1.68206365e-09 8.64390768e-10] [ 5.23810152e-10 1.68206365e-09 -8.64390768e-10] [ 5.23810152e-10 -1.68206365e-09 8.64390768e-10] [-8.64390768e-10 -5.23810152e-10 -1.68206365e-09] [ 8.64390768e-10 -5.23810152e-10 1.68206365e-09] [-8.64390768e-10 5.23810152e-10 1.68206365e-09] [ 8.64390768e-10 5.23810152e-10 -1.68206365e-09] [-1.68206365e-09 -8.64390768e-10 -5.23810152e-10] [ 1.68206365e-09 8.64390768e-10 -5.23810152e-10] [ 1.68206365e-09 -8.64390768e-10 5.23810152e-10] [-1.68206365e-09 8.64390768e-10 5.23810152e-10] [-5.23810152e-10 -1.68206365e-09 -8.64390768e-10] [-5.23810152e-10 1.68206365e-09 8.64390768e-10] [ 5.23810152e-10 1.68206365e-09 -8.64390768e-10] [ 5.23810152e-10 -1.68206365e-09 8.64390768e-10] [-8.64390768e-10 -5.23810152e-10 -1.68206365e-09] [ 8.64390768e-10 -5.23810152e-10 1.68206365e-09] [-8.64390768e-10 5.23810152e-10 1.68206365e-09] [ 8.64390768e-10 5.23810152e-10 -1.68206365e-09] [-1.68206365e-09 -8.64390768e-10 -5.23810152e-10] [ 1.68206365e-09 8.64390768e-10 -5.23810152e-10] [ 1.68206365e-09 -8.64390768e-10 5.23810152e-10] [-1.68206365e-09 8.64390768e-10 5.23810152e-10] [-5.23810152e-10 -1.68206365e-09 -8.64390768e-10] [-5.23810152e-10 1.68206365e-09 8.64390768e-10] [ 5.23810152e-10 1.68206365e-09 -8.64390768e-10] [ 5.23810152e-10 -1.68206365e-09 8.64390768e-10] [-8.64390768e-10 -5.23810152e-10 -1.68206365e-09] [ 8.64390768e-10 -5.23810152e-10 1.68206365e-09] [-8.64390768e-10 5.23810152e-10 1.68206365e-09] [ 8.64390768e-10 5.23810152e-10 -1.68206365e-09] [-1.68206365e-09 -8.64390768e-10 -5.23810152e-10] [ 1.68206365e-09 8.64390768e-10 -5.23810152e-10] [ 1.68206365e-09 -8.64390768e-10 5.23810152e-10] [-1.68206365e-09 8.64390768e-10 5.23810152e-10] [-5.23810152e-10 -1.68206365e-09 -8.64390768e-10] [-5.23810152e-10 1.68206365e-09 8.64390768e-10] [ 5.23810152e-10 1.68206365e-09 -8.64390768e-10] [ 5.23810152e-10 -1.68206365e-09 8.64390768e-10] [-8.64390768e-10 -5.23810152e-10 -1.68206365e-09] [ 8.64390768e-10 -5.23810152e-10 1.68206365e-09] [-8.64390768e-10 5.23810152e-10 1.68206365e-09] [ 8.64390768e-10 5.23810152e-10 -1.68206365e-09] [ 5.44281080e-10 1.85809803e-09 2.59494237e-09] [-5.44281080e-10 -1.85809803e-09 2.59494237e-09] [-5.44281080e-10 1.85809803e-09 -2.59494237e-09] [ 5.44281080e-10 -1.85809803e-09 -2.59494237e-09] [ 2.59494237e-09 5.44281080e-10 1.85809803e-09] [ 2.59494237e-09 -5.44281080e-10 -1.85809803e-09] [-2.59494237e-09 -5.44281080e-10 1.85809803e-09] [-2.59494237e-09 5.44281080e-10 -1.85809803e-09] [ 1.85809803e-09 2.59494237e-09 5.44281080e-10] [-1.85809803e-09 2.59494237e-09 -5.44281080e-10] [ 1.85809803e-09 -2.59494237e-09 -5.44281080e-10] [-1.85809803e-09 -2.59494237e-09 5.44281080e-10] [ 5.44281080e-10 1.85809803e-09 2.59494237e-09] [-5.44281080e-10 -1.85809803e-09 2.59494237e-09] [-5.44281080e-10 1.85809803e-09 -2.59494237e-09] [ 5.44281080e-10 -1.85809803e-09 -2.59494237e-09] [ 2.59494237e-09 5.44281080e-10 1.85809803e-09] [ 2.59494237e-09 -5.44281080e-10 -1.85809803e-09] [-2.59494237e-09 -5.44281080e-10 1.85809803e-09] [-2.59494237e-09 5.44281080e-10 -1.85809803e-09] [ 1.85809803e-09 2.59494237e-09 5.44281080e-10] [-1.85809803e-09 2.59494237e-09 -5.44281080e-10] [ 1.85809803e-09 -2.59494237e-09 -5.44281080e-10] [-1.85809803e-09 -2.59494237e-09 5.44281080e-10] [ 5.44281080e-10 1.85809803e-09 2.59494237e-09] [-5.44281080e-10 -1.85809803e-09 2.59494237e-09] [-5.44281080e-10 1.85809803e-09 -2.59494237e-09] [ 5.44281080e-10 -1.85809803e-09 -2.59494237e-09] [ 2.59494237e-09 5.44281080e-10 1.85809803e-09] [ 2.59494237e-09 -5.44281080e-10 -1.85809803e-09] [-2.59494237e-09 -5.44281080e-10 1.85809803e-09] [-2.59494237e-09 5.44281080e-10 -1.85809803e-09] [ 1.85809803e-09 2.59494237e-09 5.44281080e-10] [-1.85809803e-09 2.59494237e-09 -5.44281080e-10] [ 1.85809803e-09 -2.59494237e-09 -5.44281080e-10] [-1.85809803e-09 -2.59494237e-09 5.44281080e-10] [ 5.44281080e-10 1.85809803e-09 2.59494237e-09] [-5.44281080e-10 -1.85809803e-09 2.59494237e-09] [-5.44281080e-10 1.85809803e-09 -2.59494237e-09] [ 5.44281080e-10 -1.85809803e-09 -2.59494237e-09] [ 2.59494237e-09 5.44281080e-10 1.85809803e-09] [ 2.59494237e-09 -5.44281080e-10 -1.85809803e-09] [-2.59494237e-09 -5.44281080e-10 1.85809803e-09] [-2.59494237e-09 5.44281080e-10 -1.85809803e-09] [ 1.85809803e-09 2.59494237e-09 5.44281080e-10] [-1.85809803e-09 2.59494237e-09 -5.44281080e-10] [ 1.85809803e-09 -2.59494237e-09 -5.44281080e-10] [-1.85809803e-09 -2.59494237e-09 5.44281080e-10] [-5.44281080e-10 -1.85809803e-09 -2.59494237e-09] [ 5.44281080e-10 1.85809803e-09 -2.59494237e-09] [ 5.44281080e-10 -1.85809803e-09 2.59494237e-09] [-5.44281080e-10 1.85809803e-09 2.59494237e-09] [-2.59494237e-09 -5.44281080e-10 -1.85809803e-09] [-2.59494237e-09 5.44281080e-10 1.85809803e-09] [ 2.59494237e-09 5.44281080e-10 -1.85809803e-09] [ 2.59494237e-09 -5.44281080e-10 1.85809803e-09] [-1.85809803e-09 -2.59494237e-09 -5.44281080e-10] [ 1.85809803e-09 -2.59494237e-09 5.44281080e-10] [-1.85809803e-09 2.59494237e-09 5.44281080e-10] [ 1.85809803e-09 2.59494237e-09 -5.44281080e-10] [-5.44281080e-10 -1.85809803e-09 -2.59494237e-09] [ 5.44281080e-10 1.85809803e-09 -2.59494237e-09] [ 5.44281080e-10 -1.85809803e-09 2.59494237e-09] [-5.44281080e-10 1.85809803e-09 2.59494237e-09] [-2.59494237e-09 -5.44281080e-10 -1.85809803e-09] [-2.59494237e-09 5.44281080e-10 1.85809803e-09] [ 2.59494237e-09 5.44281080e-10 -1.85809803e-09] [ 2.59494237e-09 -5.44281080e-10 1.85809803e-09] [-1.85809803e-09 -2.59494237e-09 -5.44281080e-10] [ 1.85809803e-09 -2.59494237e-09 5.44281080e-10] [-1.85809803e-09 2.59494237e-09 5.44281080e-10] [ 1.85809803e-09 2.59494237e-09 -5.44281080e-10] [-5.44281080e-10 -1.85809803e-09 -2.59494237e-09] [ 5.44281080e-10 1.85809803e-09 -2.59494237e-09] [ 5.44281080e-10 -1.85809803e-09 2.59494237e-09] [-5.44281080e-10 1.85809803e-09 2.59494237e-09] [-2.59494237e-09 -5.44281080e-10 -1.85809803e-09] [-2.59494237e-09 5.44281080e-10 1.85809803e-09] [ 2.59494237e-09 5.44281080e-10 -1.85809803e-09] [ 2.59494237e-09 -5.44281080e-10 1.85809803e-09] [-1.85809803e-09 -2.59494237e-09 -5.44281080e-10] [ 1.85809803e-09 -2.59494237e-09 5.44281080e-10] [-1.85809803e-09 2.59494237e-09 5.44281080e-10] [ 1.85809803e-09 2.59494237e-09 -5.44281080e-10] [-5.44281080e-10 -1.85809803e-09 -2.59494237e-09] [ 5.44281080e-10 1.85809803e-09 -2.59494237e-09] [ 5.44281080e-10 -1.85809803e-09 2.59494237e-09] [-5.44281080e-10 1.85809803e-09 2.59494237e-09] [-2.59494237e-09 -5.44281080e-10 -1.85809803e-09] [-2.59494237e-09 5.44281080e-10 1.85809803e-09] [ 2.59494237e-09 5.44281080e-10 -1.85809803e-09] [ 2.59494237e-09 -5.44281080e-10 1.85809803e-09] [-1.85809803e-09 -2.59494237e-09 -5.44281080e-10] [ 1.85809803e-09 -2.59494237e-09 5.44281080e-10] [-1.85809803e-09 2.59494237e-09 5.44281080e-10] [ 1.85809803e-09 2.59494237e-09 -5.44281080e-10]] stress = [2.66053318e-11 2.66053318e-11 2.66053318e-11 0.00000000e+00 0.00000000e+00 6.16354706e-35] energy per atom = -0.10946087690900488 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0