element(s): ['O', 'Si'] AFLOW prototype label: A2B_hR72_148_8f_4f Parameter names: ['a', 'c/a', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11', 'x12', 'y12', 'z12'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['13.794229', '1.434787', '0.85893138', '0.22979394', '0.11991875', '0.75467824', '0.29022042', '0.40040932', '0.73596048', '0.94768126', '0.89719171', '0.75960952', '0.041023857', '0.33359589', '0.84471815', '0.51843482', '0.43865797', '0.70571111', '0.44872596', '0.061254388', '0.98092357', '0.34918425', '0.28372019', '0.61326156', '0.24118526', '0.21965969', '0.99737508', '0.23783748', '0.17967101', '0.67143124', '0.18054872', '0.35784479', '0.88150258', '0.36337612', '0.41793163', '0.71060037', '0.28965427', '0.090649953'] model name: Tersoff_LAMMPS_MunetohMotookaMoriguchi_2007_SiO__MO_501246546792_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0.45605002 0.28296261 0.40288136] [0.27290891 0.08136001 0.48176933] [0.87568266 0.96308611 0.86027782] [0.3815331 0.04448053 0.37807642] [0.2441145 0.16194568 0.60060365] [0.30048062 0.3439761 0.40523049] [0.4429809 0.25422248 0.53794267] [0.25522606 0.13837581 0.3580355 ] [0.52574722 0.29195685 0.47162786] [0.26815632 0.04543013 0.40327492] [0.32723247 0.13633848 0.55427011] [0.34696551 0.27298491 0.36363486]] spacegroup = 148 cell = [[13.7942, 0, 0], [-6.8971, 11.946127624883, 0], [0, 0, 19.7918]] ========================================= Step Time Energy fmax BFGS: 0 14:42:35 -1396.787505 3.734735 BFGS: 1 14:42:36 -1407.245618 2.281717 BFGS: 2 14:42:36 -1412.770795 1.365885 BFGS: 3 14:42:36 -1415.774081 0.978561 BFGS: 4 14:42:36 -1416.897327 0.994034 BFGS: 5 14:42:37 -1418.283768 0.935250 BFGS: 6 14:42:37 -1419.369462 0.852954 BFGS: 7 14:42:37 -1420.232007 0.761423 BFGS: 8 14:42:37 -1420.821362 0.664718 BFGS: 9 14:42:37 -1421.150974 0.588672 BFGS: 10 14:42:38 -1421.367134 0.555651 BFGS: 11 14:42:38 -1421.645121 0.535176 BFGS: 12 14:42:38 -1421.833617 0.526131 BFGS: 13 14:42:39 -1421.952924 0.531442 BFGS: 14 14:42:39 -1422.035665 0.533825 BFGS: 15 14:42:39 -1422.124390 0.536185 BFGS: 16 14:42:39 -1422.210721 0.532190 BFGS: 17 14:42:40 -1422.294862 0.526900 BFGS: 18 14:42:40 -1422.375325 0.520311 BFGS: 19 14:42:41 -1422.451206 0.513396 BFGS: 20 14:42:41 -1422.522125 0.506259 BFGS: 21 14:42:41 -1422.588285 0.499420 BFGS: 22 14:42:43 -1422.650139 0.492680 BFGS: 23 14:42:43 -1422.708394 0.486214 BFGS: 24 14:42:44 -1422.763809 0.479896 BFGS: 25 14:42:45 -1422.817151 0.473823 BFGS: 26 14:42:46 -1422.869085 0.467914 BFGS: 27 14:42:46 -1422.920166 0.462209 BFGS: 28 14:42:47 -1422.970808 0.456655 BFGS: 29 14:42:47 -1423.021314 0.451263 BFGS: 30 14:42:48 -1423.071886 0.445997 BFGS: 31 14:42:49 -1423.122657 0.440859 BFGS: 32 14:42:49 -1423.173703 0.435824 BFGS: 33 14:42:50 -1423.225064 0.430890 BFGS: 34 14:42:50 -1423.276754 0.426042 BFGS: 35 14:42:51 -1423.328773 0.421275 BFGS: 36 14:42:51 -1423.381107 0.416581 BFGS: 37 14:42:52 -1423.433737 0.411954 BFGS: 38 14:42:53 -1423.486641 0.407389 BFGS: 39 14:42:54 -1423.539793 0.402883 BFGS: 40 14:42:55 -1423.593169 0.398430 BFGS: 41 14:42:56 -1423.646744 0.394029 BFGS: 42 14:42:57 -1423.700494 0.389675 BFGS: 43 14:42:57 -1423.754395 0.385368 BFGS: 44 14:42:58 -1423.808425 0.381103 BFGS: 45 14:42:59 -1423.862563 0.376880 BFGS: 46 14:43:00 -1423.916789 0.372697 BFGS: 47 14:43:01 -1423.971085 0.368552 BFGS: 48 14:43:01 -1424.025432 0.364443 BFGS: 49 14:43:01 -1424.079813 0.360370 BFGS: 50 14:43:02 -1424.134211 0.356330 BFGS: 51 14:43:02 -1424.188611 0.352323 BFGS: 52 14:43:03 -1424.242998 0.348348 BFGS: 53 14:43:04 -1424.297358 0.344403 BFGS: 54 14:43:04 -1424.351675 0.340489 BFGS: 55 14:43:05 -1424.405937 0.336603 BFGS: 56 14:43:06 -1424.460130 0.332745 BFGS: 57 14:43:06 -1424.514241 0.328915 BFGS: 58 14:43:07 -1424.568256 0.325112 BFGS: 59 14:43:08 -1424.622162 0.321334 BFGS: 60 14:43:08 -1424.675948 0.317582 BFGS: 61 14:43:09 -1424.729601 0.313854 BFGS: 62 14:43:09 -1424.783107 0.310150 BFGS: 63 14:43:10 -1424.836456 0.306470 BFGS: 64 14:43:10 -1424.889633 0.302813 BFGS: 65 14:43:11 -1424.942627 0.299178 BFGS: 66 14:43:11 -1424.995425 0.295565 BFGS: 67 14:43:12 -1425.048016 0.291974 BFGS: 68 14:43:12 -1425.100386 0.288404 BFGS: 69 14:43:13 -1425.152523 0.284854 BFGS: 70 14:43:13 -1425.204416 0.281324 BFGS: 71 14:43:14 -1425.256051 0.277814 BFGS: 72 14:43:14 -1425.307416 0.274324 BFGS: 73 14:43:15 -1425.358498 0.270852 BFGS: 74 14:43:16 -1425.409286 0.267399 BFGS: 75 14:43:16 -1425.459767 0.263964 BFGS: 76 14:43:16 -1425.509929 0.260547 BFGS: 77 14:43:17 -1425.559758 0.257147 BFGS: 78 14:43:17 -1425.609244 0.253764 BFGS: 79 14:43:18 -1425.658372 0.250398 BFGS: 80 14:43:18 -1425.707132 0.247049 BFGS: 81 14:43:19 -1425.755511 0.243716 BFGS: 82 14:43:19 -1425.803497 0.240399 BFGS: 83 14:43:20 -1425.851077 0.237098 BFGS: 84 14:43:20 -1425.898240 0.233812 BFGS: 85 14:43:21 -1425.944973 0.230541 BFGS: 86 14:43:21 -1425.991265 0.227285 BFGS: 87 14:43:21 -1426.037104 0.224043 BFGS: 88 14:43:22 -1426.082479 0.220816 BFGS: 89 14:43:22 -1426.127376 0.217603 BFGS: 90 14:43:22 -1426.171787 0.214404 BFGS: 91 14:43:22 -1426.215698 0.211219 BFGS: 92 14:43:23 -1426.259099 0.208047 BFGS: 93 14:43:23 -1426.301979 0.204889 BFGS: 94 14:43:23 -1426.344327 0.201744 BFGS: 95 14:43:24 -1426.386132 0.198612 BFGS: 96 14:43:24 -1426.427385 0.195494 BFGS: 97 14:43:24 -1426.468074 0.192387 BFGS: 98 14:43:24 -1426.508190 0.189294 BFGS: 99 14:43:25 -1426.547723 0.186213 BFGS: 100 14:43:25 -1426.586663 0.183296 BFGS: 101 14:43:26 -1426.625001 0.180878 BFGS: 102 14:43:26 -1426.662728 0.178456 BFGS: 103 14:43:26 -1426.699836 0.176031 BFGS: 104 14:43:26 -1426.736316 0.173603 BFGS: 105 14:43:27 -1426.772159 0.171172 BFGS: 106 14:43:27 -1426.807359 0.168740 BFGS: 107 14:43:27 -1426.841910 0.166309 BFGS: 108 14:43:28 -1426.875805 0.163883 BFGS: 109 14:43:28 -1426.909043 0.161466 BFGS: 110 14:43:28 -1426.941619 0.159046 BFGS: 111 14:43:29 -1426.973515 0.156605 BFGS: 112 14:43:29 -1427.004714 0.154146 BFGS: 113 14:43:29 -1427.035202 0.151671 BFGS: 114 14:43:29 -1427.064973 0.149183 BFGS: 115 14:43:30 -1427.094020 0.146685 BFGS: 116 14:43:30 -1427.122339 0.144176 BFGS: 117 14:43:30 -1427.149923 0.141660 BFGS: 118 14:43:31 -1427.176770 0.139135 BFGS: 119 14:43:31 -1427.202874 0.136602 BFGS: 120 14:43:31 -1427.228234 0.134063 BFGS: 121 14:43:32 -1427.252846 0.131517 BFGS: 122 14:43:32 -1427.276707 0.128964 BFGS: 123 14:43:33 -1427.299816 0.126405 BFGS: 124 14:43:33 -1427.322170 0.123841 BFGS: 125 14:43:34 -1427.343770 0.121271 BFGS: 126 14:43:34 -1427.364614 0.118696 BFGS: 127 14:43:35 -1427.384702 0.116116 BFGS: 128 14:43:36 -1427.404035 0.113531 BFGS: 129 14:43:36 -1427.422615 0.110941 BFGS: 130 14:43:37 -1427.440444 0.108347 BFGS: 131 14:43:37 -1427.457525 0.105748 BFGS: 132 14:43:37 -1427.473863 0.103145 BFGS: 133 14:43:38 -1427.489463 0.100539 BFGS: 134 14:43:38 -1427.504331 0.097928 BFGS: 135 14:43:39 -1427.518475 0.095314 BFGS: 136 14:43:39 -1427.531906 0.092697 BFGS: 137 14:43:39 -1427.544635 0.090076 BFGS: 138 14:43:40 -1427.556676 0.087452 BFGS: 139 14:43:40 -1427.568047 0.084825 BFGS: 140 14:43:40 -1427.578768 0.082195 BFGS: 141 14:43:41 -1427.588864 0.079562 BFGS: 142 14:43:41 -1427.598364 0.076926 BFGS: 143 14:43:42 -1427.607304 0.074287 BFGS: 144 14:43:42 -1427.615728 0.071646 BFGS: 145 14:43:42 -1427.623689 0.069001 BFGS: 146 14:43:43 -1427.631251 0.066352 BFGS: 147 14:43:43 -1427.638496 0.063698 BFGS: 148 14:43:43 -1427.645522 0.061039 BFGS: 149 14:43:44 -1427.652452 0.058372 BFGS: 150 14:43:44 -1427.659438 0.055695 BFGS: 151 14:43:45 -1427.666667 0.053319 BFGS: 152 14:43:45 -1427.674370 0.055509 BFGS: 153 14:43:45 -1427.682833 0.057551 BFGS: 154 14:43:46 -1427.692420 0.059388 BFGS: 155 14:43:46 -1427.703618 0.060932 BFGS: 156 14:43:46 -1427.717131 0.062031 BFGS: 157 14:43:47 -1427.734125 0.063733 BFGS: 158 14:43:47 -1427.757021 0.071189 BFGS: 159 14:43:48 -1427.791025 0.081420 BFGS: 160 14:43:48 -1427.814997 0.083147 BFGS: 161 14:43:48 -1427.827329 0.079578 BFGS: 162 14:43:49 -1427.837370 0.074618 BFGS: 163 14:43:49 -1427.846303 0.068816 BFGS: 164 14:43:49 -1427.854384 0.062330 BFGS: 165 14:43:50 -1427.861724 0.055106 BFGS: 166 14:43:50 -1427.868448 0.046904 BFGS: 167 14:43:50 -1427.874832 0.044885 BFGS: 168 14:43:51 -1427.881727 0.046051 BFGS: 169 14:43:51 -1427.889257 0.047569 BFGS: 170 14:43:51 -1427.904259 0.047113 BFGS: 171 14:43:52 -1427.914352 0.052751 BFGS: 172 14:43:52 -1427.923012 0.055629 BFGS: 173 14:43:52 -1427.931065 0.057085 BFGS: 174 14:43:52 -1427.938694 0.057755 BFGS: 175 14:43:53 -1427.945956 0.057942 BFGS: 176 14:43:53 -1427.952878 0.057807 BFGS: 177 14:43:53 -1427.959476 0.057439 BFGS: 178 14:43:54 -1427.965764 0.056885 BFGS: 179 14:43:54 -1427.971754 0.056169 BFGS: 180 14:43:54 -1427.977464 0.055303 BFGS: 181 14:43:54 -1427.982908 0.054287 BFGS: 182 14:43:55 -1427.988108 0.053115 BFGS: 183 14:43:55 -1427.993085 0.051778 BFGS: 184 14:43:55 -1427.997868 0.050259 BFGS: 185 14:43:56 -1428.002491 0.048534 BFGS: 186 14:43:56 -1428.006994 0.046572 BFGS: 187 14:43:56 -1428.011434 0.044328 BFGS: 188 14:43:56 -1428.015881 0.041733 BFGS: 189 14:43:57 -1428.020439 0.038683 BFGS: 190 14:43:57 -1428.025263 0.034999 BFGS: 191 14:43:58 -1428.030628 0.033028 BFGS: 192 14:43:58 -1428.037133 0.033810 BFGS: 193 14:43:59 -1428.045094 0.032225 BFGS: 194 14:44:00 -1428.051138 0.027765 BFGS: 195 14:44:00 -1428.055099 0.026397 BFGS: 196 14:44:01 -1428.058107 0.029015 BFGS: 197 14:44:02 -1428.060478 0.031317 BFGS: 198 14:44:03 -1428.062268 0.033426 BFGS: 199 14:44:03 -1428.063492 0.035376 BFGS: 200 14:44:04 -1428.064190 0.037037 BFGS: 201 14:44:04 -1428.064548 0.037159 BFGS: 202 14:44:05 -1428.065906 0.036097 BFGS: 203 14:44:05 -1428.066899 0.033898 BFGS: 204 14:44:05 -1428.067522 0.031589 BFGS: 205 14:44:06 -1428.067777 0.030744 BFGS: 206 14:44:06 -1428.068051 0.030509 BFGS: 207 14:44:06 -1428.068468 0.030879 BFGS: 208 14:44:07 -1428.068955 0.032062 BFGS: 209 14:44:07 -1428.069329 0.033358 BFGS: 210 14:44:07 -1428.069582 0.034211 BFGS: 211 14:44:08 -1428.069852 0.034556 BFGS: 212 14:44:08 -1428.070268 0.034679 BFGS: 213 14:44:09 -1428.070827 0.034155 BFGS: 214 14:44:09 -1428.071373 0.033646 BFGS: 215 14:44:09 -1428.071762 0.033078 BFGS: 216 14:44:10 -1428.072042 0.033357 BFGS: 217 14:44:10 -1428.072311 0.033721 BFGS: 218 14:44:10 -1428.072606 0.034549 BFGS: 219 14:44:10 -1428.072936 0.035004 BFGS: 220 14:44:11 -1428.073340 0.034990 BFGS: 221 14:44:11 -1428.073867 0.033731 BFGS: 222 14:44:11 -1428.074495 0.031118 BFGS: 223 14:44:11 -1428.075128 0.027347 BFGS: 224 14:44:11 -1428.075712 0.023719 BFGS: 225 14:44:12 -1428.076293 0.020445 BFGS: 226 14:44:12 -1428.076933 0.018122 BFGS: 227 14:44:12 -1428.077631 0.018532 BFGS: 228 14:44:13 -1428.078373 0.022366 BFGS: 229 14:44:13 -1428.079205 0.018973 BFGS: 230 14:44:13 -1428.080250 0.019865 BFGS: 231 14:44:13 -1428.081275 0.021996 BFGS: 232 14:44:14 -1428.082353 0.026546 BFGS: 233 14:44:14 -1428.083491 0.031410 BFGS: 234 14:44:14 -1428.084679 0.034775 BFGS: 235 14:44:14 -1428.085906 0.036951 BFGS: 236 14:44:14 -1428.087161 0.038219 BFGS: 237 14:44:15 -1428.088435 0.038822 BFGS: 238 14:44:15 -1428.089719 0.038940 BFGS: 239 14:44:15 -1428.091009 0.038716 BFGS: 240 14:44:15 -1428.092298 0.038253 BFGS: 241 14:44:16 -1428.093585 0.037627 BFGS: 242 14:44:16 -1428.094867 0.036895 BFGS: 243 14:44:16 -1428.096142 0.036097 BFGS: 244 14:44:16 -1428.097408 0.035259 BFGS: 245 14:44:16 -1428.098664 0.034401 BFGS: 246 14:44:17 -1428.099909 0.033534 BFGS: 247 14:44:17 -1428.101142 0.032667 BFGS: 248 14:44:17 -1428.102361 0.031804 BFGS: 249 14:44:17 -1428.103566 0.030946 BFGS: 250 14:44:17 -1428.104755 0.030094 BFGS: 251 14:44:18 -1428.105927 0.029248 BFGS: 252 14:44:18 -1428.107080 0.028405 BFGS: 253 14:44:18 -1428.108213 0.027565 BFGS: 254 14:44:18 -1428.109325 0.026724 BFGS: 255 14:44:19 -1428.110413 0.025880 BFGS: 256 14:44:19 -1428.111476 0.025031 BFGS: 257 14:44:19 -1428.112513 0.024242 BFGS: 258 14:44:19 -1428.113521 0.023673 BFGS: 259 14:44:20 -1428.114498 0.023042 BFGS: 260 14:44:20 -1428.115443 0.022349 BFGS: 261 14:44:20 -1428.116353 0.021595 BFGS: 262 14:44:20 -1428.117227 0.020780 BFGS: 263 14:44:20 -1428.118062 0.019903 BFGS: 264 14:44:21 -1428.118855 0.018964 BFGS: 265 14:44:21 -1428.119605 0.017962 BFGS: 266 14:44:21 -1428.120309 0.016897 BFGS: 267 14:44:22 -1428.120964 0.015765 BFGS: 268 14:44:22 -1428.121568 0.014580 BFGS: 269 14:44:22 -1428.122117 0.013462 BFGS: 270 14:44:23 -1428.122609 0.012255 BFGS: 271 14:44:23 -1428.123040 0.010947 BFGS: 272 14:44:23 -1428.123407 0.009524 BFGS: 273 14:44:23 -1428.123703 0.007962 BFGS: 274 14:44:24 -1428.123925 0.006213 BFGS: 275 14:44:24 -1428.124063 0.004313 BFGS: 276 14:44:24 -1428.124105 0.003126 BFGS: 277 14:44:25 -1428.124119 0.002530 BFGS: 278 14:44:25 -1428.124155 0.000872 BFGS: 279 14:44:26 -1428.124163 0.000645 BFGS: 280 14:44:26 -1428.124165 0.000396 BFGS: 281 14:44:26 -1428.124165 0.000296 BFGS: 282 14:44:27 -1428.124165 0.000245 BFGS: 283 14:44:27 -1428.124165 0.000185 BFGS: 284 14:44:27 -1428.124166 0.000099 BFGS: 285 14:44:28 -1428.124166 0.000062 BFGS: 286 14:44:28 -1428.124166 0.000047 BFGS: 287 14:44:28 -1428.124166 0.000039 BFGS: 288 14:44:29 -1428.124166 0.000029 BFGS: 289 14:44:29 -1428.124166 0.000015 BFGS: 290 14:44:30 -1428.124166 0.000009 BFGS: 291 14:44:30 -1428.124166 0.000008 BFGS: 292 14:44:30 -1428.124166 0.000007 BFGS: 293 14:44:30 -1428.124166 0.000005 BFGS: 294 14:44:31 -1428.124166 0.000004 BFGS: 295 14:44:31 -1428.124166 0.000003 BFGS: 296 14:44:31 -1428.124166 0.000002 BFGS: 297 14:44:32 -1428.124166 0.000001 BFGS: 298 14:44:32 -1428.124166 0.000001 BFGS: 299 14:44:32 -1428.124166 0.000001 BFGS: 300 14:44:33 -1428.124166 0.000001 BFGS: 301 14:44:33 -1428.124166 0.000000 BFGS: 302 14:44:33 -1428.124166 0.000000 BFGS: 303 14:44:33 -1428.124166 0.000000 BFGS: 304 14:44:34 -1428.124166 0.000000 BFGS: 305 14:44:34 -1428.124166 0.000000 BFGS: 306 14:44:35 -1428.124166 0.000000 BFGS: 307 14:44:35 -1428.124166 0.000000 BFGS: 308 14:44:35 -1428.124166 0.000000 BFGS: 309 14:44:36 -1428.124166 0.000000 BFGS: 310 14:44:36 -1428.124166 0.000000 BFGS: 311 14:44:37 -1428.124166 0.000000 BFGS: 312 14:44:37 -1428.124166 0.000000 BFGS: 313 14:44:38 -1428.124166 0.000000 BFGS: 314 14:44:38 -1428.124166 0.000000 BFGS: 315 14:44:38 -1428.124166 0.000000 Minimization converged after 315 steps. Maximum force component: 7.948745131239025e-09 eV/Angstrom Maximum stress component: 9.181838523915946e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0.45950737 0.28308721 0.39653585] [0.71691279 0.17642016 0.39653585] [0.82357984 0.54049263 0.39653585] [0.12617404 0.61642055 0.72986918] [0.38357945 0.50975349 0.72986918] [0.49024651 0.87382596 0.72986918] [0.7928407 0.94975388 0.06320252] [0.05024612 0.84308683 0.06320252] [0.15691317 0.2071593 0.06320252] [0.54049263 0.71691279 0.60346415] [0.28308721 0.82357984 0.60346415] [0.17642016 0.45950737 0.60346415] [0.2071593 0.05024612 0.93679748] [0.94975388 0.15691317 0.93679748] [0.84308683 0.7928407 0.93679748] [0.87382596 0.38357945 0.27013082] [0.61642055 0.49024651 0.27013082] [0.50975349 0.12617404 0.27013082] [0.26641926 0.06431675 0.484311 ] [0.93568325 0.20210251 0.484311 ] [0.79789749 0.73358074 0.484311 ] [0.93308593 0.39765008 0.81764434] [0.60234992 0.53543585 0.81764434] [0.46456415 0.06691407 0.81764434] [0.59975259 0.73098341 0.15097767] [0.26901659 0.86876918 0.15097767] [0.13123082 0.40024741 0.15097767] [0.73358074 0.93568325 0.515689 ] [0.06431675 0.79789749 0.515689 ] [0.20210251 0.26641926 0.515689 ] [0.40024741 0.26901659 0.84902233] [0.73098341 0.13123082 0.84902233] [0.86876918 0.59975259 0.84902233] [0.06691407 0.60234992 0.18235566] [0.39765008 0.46456415 0.18235566] [0.53543585 0.93308593 0.18235566] [0.88559341 0.96070725 0.86856414] [0.03929275 0.92488615 0.86856414] [0.07511385 0.11440659 0.86856414] [0.55226007 0.29404059 0.20189747] [0.70595941 0.25821949 0.20189747] [0.74178051 0.44773993 0.20189747] [0.21892674 0.62737392 0.5352308 ] [0.37262608 0.59155282 0.5352308 ] [0.40844718 0.78107326 0.5352308 ] [0.11440659 0.03929275 0.13143586] [0.96070725 0.07511385 0.13143586] [0.92488615 0.88559341 0.13143586] [0.78107326 0.37262608 0.4647692 ] [0.62737392 0.40844718 0.4647692 ] [0.59155282 0.21892674 0.4647692 ] [0.44773993 0.70595941 0.79810253] [0.29404059 0.74178051 0.79810253] [0.25821949 0.55226007 0.79810253] [0.36959509 0.03157824 0.37343396] [0.96842176 0.33801685 0.37343396] [0.66198315 0.63040491 0.37343396] [0.03626176 0.36491157 0.70676729] [0.63508843 0.67135019 0.70676729] [0.32864981 0.96373824 0.70676729] [0.70292843 0.69824491 0.04010062] [0.30175509 0.00468352 0.04010062] [0.99531648 0.29707157 0.04010062] [0.63040491 0.96842176 0.62656604] [0.03157824 0.66198315 0.62656604] [0.33801685 0.36959509 0.62656604] [0.29707157 0.30175509 0.95989938] [0.69824491 0.99531648 0.95989938] [0.00468352 0.70292843 0.95989938] [0.96373824 0.63508843 0.29323271] [0.36491157 0.32864981 0.29323271] [0.67135019 0.03626176 0.29323271] [0.25804328 0.16907525 0.59125945] [0.83092475 0.08896803 0.59125945] [0.91103197 0.74195672 0.59125945] [0.92470995 0.50240858 0.92459279] [0.49759142 0.42230136 0.92459279] [0.57769864 0.07529005 0.92459279] [0.59137661 0.83574192 0.25792612] [0.16425808 0.7556347 0.25792612] [0.2443653 0.40862339 0.25792612] [0.74195672 0.83092475 0.40874055] [0.16907525 0.91103197 0.40874055] [0.08896803 0.25804328 0.40874055] [0.40862339 0.16425808 0.74207388] [0.83574192 0.2443653 0.74207388] [0.7556347 0.59137661 0.74207388] [0.07529005 0.49759142 0.07540721] [0.50240858 0.57769864 0.07540721] [0.42230136 0.92470995 0.07540721] [0.30320535 0.33732977 0.40766276] [0.66267023 0.96587558 0.40766276] [0.03412442 0.69679465 0.40766276] [0.96987202 0.6706631 0.7409961 ] [0.3293369 0.29920891 0.7409961 ] [0.70079109 0.03012798 0.7409961 ] [0.63653868 0.00399644 0.07432943] [0.99600356 0.63254225 0.07432943] [0.36745775 0.36346132 0.07432943] [0.69679465 0.66267023 0.59233724] [0.33732977 0.03412442 0.59233724] [0.96587558 0.30320535 0.59233724] [0.36346132 0.99600356 0.92567057] [0.00399644 0.36745775 0.92567057] [0.63254225 0.63653868 0.92567057] [0.03012798 0.3293369 0.2590039 ] [0.6706631 0.70079109 0.2590039 ] [0.29920891 0.96987202 0.2590039 ] [0.44143093 0.23254014 0.52536242] [0.76745986 0.20889078 0.52536242] [0.79110922 0.55856907 0.52536242] [0.10809759 0.56587348 0.85869575] [0.43412652 0.54222412 0.85869575] [0.45777588 0.89190241 0.85869575] [0.77476426 0.89920681 0.19202909] [0.10079319 0.87555745 0.19202909] [0.12444255 0.22523574 0.19202909] [0.55856907 0.76745986 0.47463758] [0.23254014 0.79110922 0.47463758] [0.20889078 0.44143093 0.47463758] [0.22523574 0.10079319 0.80797091] [0.89920681 0.12444255 0.80797091] [0.87555745 0.77476426 0.80797091] [0.89190241 0.43412652 0.14130425] [0.56587348 0.45777588 0.14130425] [0.54222412 0.10809759 0.14130425] [0.26959388 0.13965146 0.37029923] [0.86034854 0.12994242 0.37029923] [0.87005758 0.73040612 0.37029923] [0.93626055 0.47298479 0.70363256] [0.52701521 0.46327576 0.70363256] [0.53672424 0.06373945 0.70363256] [0.60292721 0.80631812 0.03696589] [0.19368188 0.79660909 0.03696589] [0.20339091 0.39707279 0.03696589] [0.73040612 0.86034854 0.62970077] [0.13965146 0.87005758 0.62970077] [0.12994242 0.26959388 0.62970077] [0.39707279 0.19368188 0.96303411] [0.80631812 0.20339091 0.96303411] [0.79660909 0.60292721 0.96303411] [0.06373945 0.52701521 0.29636744] [0.47298479 0.53672424 0.29636744] [0.46327576 0.93626055 0.29636744] [0.52373791 0.2843333 0.46312286] [0.7156667 0.23940461 0.46312286] [0.76059539 0.47626209 0.46312286] [0.19040457 0.61766663 0.79645619] [0.38233337 0.57273794 0.79645619] [0.42726206 0.80959543 0.79645619] [0.85707124 0.95099997 0.12978952] [0.04900003 0.90607128 0.12978952] [0.09392872 0.14292876 0.12978952] [0.47626209 0.7156667 0.53687714] [0.2843333 0.76059539 0.53687714] [0.23940461 0.52373791 0.53687714] [0.14292876 0.04900003 0.87021048] [0.95099997 0.09392872 0.87021048] [0.90607128 0.85707124 0.87021048] [0.80959543 0.38233337 0.20354381] [0.61766663 0.42726206 0.20354381] [0.57273794 0.19040457 0.20354381] [0.26792984 0.03683906 0.40722272] [0.96316094 0.23109078 0.40722272] [0.76890922 0.73207016 0.40722272] [0.93459651 0.3701724 0.74055605] [0.6298276 0.56442411 0.74055605] [0.43557589 0.06540349 0.74055605] [0.60126318 0.70350573 0.07388938] [0.29649427 0.89775745 0.07388938] [0.10224255 0.39873682 0.07388938] [0.73207016 0.96316094 0.59277728] [0.03683906 0.76890922 0.59277728] [0.23109078 0.26792984 0.59277728] [0.39873682 0.29649427 0.92611062] [0.70350573 0.10224255 0.92611062] [0.89775745 0.60126318 0.92611062] [0.06540349 0.6298276 0.25944395] [0.3701724 0.43557589 0.25944395] [0.56442411 0.93459651 0.25944395] [0.32860114 0.1268955 0.55064841] [0.8731045 0.20170564 0.55064841] [0.79829436 0.67139886 0.55064841] [0.99526781 0.46022883 0.88398174] [0.53977117 0.53503897 0.88398174] [0.46496103 0.00473219 0.88398174] [0.66193447 0.79356216 0.21731508] [0.20643784 0.86837231 0.21731508] [0.13162769 0.33806553 0.21731508] [0.67139886 0.8731045 0.44935159] [0.1268955 0.79829436 0.44935159] [0.20170564 0.32860114 0.44935159] [0.33806553 0.20643784 0.78268492] [0.79356216 0.13162769 0.78268492] [0.86837231 0.66193447 0.78268492] [0.00473219 0.53977117 0.11601826] [0.46022883 0.46496103 0.11601826] [0.53503897 0.99526781 0.11601826] [0.34830001 0.27132762 0.36450213] [0.72867238 0.07697239 0.36450213] [0.92302761 0.65169999 0.36450213] [0.01496668 0.60466095 0.69783546] [0.39533905 0.41030573 0.69783546] [0.58969427 0.98503332 0.69783546] [0.68163335 0.93799429 0.0311688 ] [0.06200571 0.74363906 0.0311688 ] [0.25636094 0.31836665 0.0311688 ] [0.65169999 0.72867238 0.63549787] [0.27132762 0.92302761 0.63549787] [0.07697239 0.34830001 0.63549787] [0.31836665 0.06200571 0.9688312 ] [0.93799429 0.25636094 0.9688312 ] [0.74363906 0.68163335 0.9688312 ] [0.98503332 0.39533905 0.30216454] [0.60466095 0.58969427 0.30216454] [0.41030573 0.01496668 0.30216454]] cellpar = Cell([[14.26472222153893, 3.612646112664237e-13, -2.9591779796019117e-16], [-7.1323611107697795, 12.353611821780888, -4.532731190169928e-16], [2.337432618660006e-15, -6.275083316729179e-17, 20.606396494912545]]) forces = [[-3.63973023e-10 -2.67904030e-09 2.04194815e-10] [ 2.50210347e-09 1.02431026e-09 2.04194815e-10] [-2.13813044e-09 1.65473003e-09 2.04194815e-10] [-3.63973023e-10 -2.67904030e-09 2.04194815e-10] [ 2.50210347e-09 1.02431026e-09 2.04194815e-10] [-2.13813044e-09 1.65473003e-09 2.04194815e-10] [-3.63973023e-10 -2.67904030e-09 2.04194815e-10] [ 2.50210347e-09 1.02431026e-09 2.04194815e-10] [-2.13813044e-09 1.65473003e-09 2.04194815e-10] [ 3.63973023e-10 2.67904030e-09 -2.04194815e-10] [-2.50210347e-09 -1.02431026e-09 -2.04194815e-10] [ 2.13813044e-09 -1.65473003e-09 -2.04194815e-10] [ 3.63973023e-10 2.67904030e-09 -2.04194815e-10] [-2.50210347e-09 -1.02431026e-09 -2.04194815e-10] [ 2.13813044e-09 -1.65473003e-09 -2.04194815e-10] [ 3.63973023e-10 2.67904030e-09 -2.04194815e-10] [-2.50210347e-09 -1.02431026e-09 -2.04194815e-10] [ 2.13813044e-09 -1.65473003e-09 -2.04194815e-10] [ 1.63209001e-09 -4.21767341e-09 1.02254925e-09] [ 2.83656731e-09 3.52226812e-09 1.02254925e-09] [-4.46865733e-09 6.95405293e-10 1.02254925e-09] [ 1.63209001e-09 -4.21767341e-09 1.02254925e-09] [ 2.83656731e-09 3.52226812e-09 1.02254925e-09] [-4.46865733e-09 6.95405293e-10 1.02254925e-09] [ 1.63209001e-09 -4.21767341e-09 1.02254925e-09] [ 2.83656731e-09 3.52226812e-09 1.02254925e-09] [-4.46865733e-09 6.95405293e-10 1.02254925e-09] [-1.63209001e-09 4.21767341e-09 -1.02254925e-09] [-2.83656731e-09 -3.52226812e-09 -1.02254925e-09] [ 4.46865733e-09 -6.95405293e-10 -1.02254925e-09] [-1.63209001e-09 4.21767341e-09 -1.02254925e-09] [-2.83656731e-09 -3.52226812e-09 -1.02254925e-09] [ 4.46865733e-09 -6.95405293e-10 -1.02254925e-09] [-1.63209001e-09 4.21767341e-09 -1.02254925e-09] [-2.83656731e-09 -3.52226812e-09 -1.02254925e-09] [ 4.46865733e-09 -6.95405293e-10 -1.02254925e-09] [-1.94750242e-09 -1.90925911e-09 -3.16381808e-09] [ 2.62721810e-09 -7.31957015e-10 -3.16381808e-09] [-6.79715683e-10 2.64121613e-09 -3.16381808e-09] [-1.94750242e-09 -1.90925911e-09 -3.16381808e-09] [ 2.62721810e-09 -7.31957015e-10 -3.16381808e-09] [-6.79715683e-10 2.64121613e-09 -3.16381808e-09] [-1.94750242e-09 -1.90925911e-09 -3.16381808e-09] [ 2.62721810e-09 -7.31957015e-10 -3.16381808e-09] [-6.79715683e-10 2.64121613e-09 -3.16381808e-09] [ 1.94750242e-09 1.90925911e-09 3.16381808e-09] [-2.62721810e-09 7.31957015e-10 3.16381808e-09] [ 6.79715683e-10 -2.64121613e-09 3.16381808e-09] [ 1.94750242e-09 1.90925911e-09 3.16381808e-09] [-2.62721810e-09 7.31957015e-10 3.16381808e-09] [ 6.79715683e-10 -2.64121613e-09 3.16381808e-09] [ 1.94750242e-09 1.90925911e-09 3.16381808e-09] [-2.62721810e-09 7.31957015e-10 3.16381808e-09] [ 6.79715683e-10 -2.64121613e-09 3.16381808e-09] [-2.33202322e-09 -5.89774708e-09 1.12621664e-09] [ 6.27361040e-09 9.29282193e-10 1.12621664e-09] [-3.94158719e-09 4.96846489e-09 1.12621664e-09] [-2.33202322e-09 -5.89774708e-09 1.12621664e-09] [ 6.27361040e-09 9.29282193e-10 1.12621664e-09] [-3.94158719e-09 4.96846489e-09 1.12621664e-09] [-2.33202322e-09 -5.89774708e-09 1.12621664e-09] [ 6.27361040e-09 9.29282193e-10 1.12621664e-09] [-3.94158719e-09 4.96846489e-09 1.12621664e-09] [ 2.33202322e-09 5.89774708e-09 -1.12621664e-09] [-6.27361040e-09 -9.29282193e-10 -1.12621664e-09] [ 3.94158719e-09 -4.96846489e-09 -1.12621664e-09] [ 2.33202322e-09 5.89774708e-09 -1.12621664e-09] [-6.27361040e-09 -9.29282193e-10 -1.12621664e-09] [ 3.94158719e-09 -4.96846489e-09 -1.12621664e-09] [ 2.33202322e-09 5.89774708e-09 -1.12621664e-09] [-6.27361040e-09 -9.29282193e-10 -1.12621664e-09] [ 3.94158719e-09 -4.96846489e-09 -1.12621664e-09] [ 1.33603002e-09 5.90392314e-09 -1.86707363e-09] [-5.78096244e-09 -1.79492563e-09 -1.86707363e-09] [ 4.44493241e-09 -4.10899751e-09 -1.86707363e-09] [ 1.33603002e-09 5.90392314e-09 -1.86707363e-09] [-5.78096244e-09 -1.79492563e-09 -1.86707363e-09] [ 4.44493241e-09 -4.10899751e-09 -1.86707363e-09] [ 1.33603002e-09 5.90392314e-09 -1.86707363e-09] [-5.78096244e-09 -1.79492563e-09 -1.86707363e-09] [ 4.44493241e-09 -4.10899751e-09 -1.86707363e-09] [-1.33603002e-09 -5.90392314e-09 1.86707363e-09] [ 5.78096244e-09 1.79492563e-09 1.86707363e-09] [-4.44493241e-09 4.10899751e-09 1.86707363e-09] [-1.33603002e-09 -5.90392314e-09 1.86707363e-09] [ 5.78096244e-09 1.79492563e-09 1.86707363e-09] [-4.44493241e-09 4.10899751e-09 1.86707363e-09] [-1.33603002e-09 -5.90392314e-09 1.86707363e-09] [ 5.78096244e-09 1.79492563e-09 1.86707363e-09] [-4.44493241e-09 4.10899751e-09 1.86707363e-09] [-1.81120022e-09 5.02783762e-09 2.18826074e-09] [-3.44863499e-09 -4.08246421e-09 2.18826074e-09] [ 5.25983522e-09 -9.45373405e-10 2.18826074e-09] [-1.81120022e-09 5.02783762e-09 2.18826074e-09] [-3.44863499e-09 -4.08246421e-09 2.18826074e-09] [ 5.25983522e-09 -9.45373405e-10 2.18826074e-09] [-1.81120022e-09 5.02783762e-09 2.18826074e-09] [-3.44863499e-09 -4.08246421e-09 2.18826074e-09] [ 5.25983522e-09 -9.45373405e-10 2.18826074e-09] [ 1.81120022e-09 -5.02783762e-09 -2.18826074e-09] [ 3.44863499e-09 4.08246421e-09 -2.18826074e-09] [-5.25983522e-09 9.45373405e-10 -2.18826074e-09] [ 1.81120022e-09 -5.02783762e-09 -2.18826074e-09] [ 3.44863499e-09 4.08246421e-09 -2.18826074e-09] [-5.25983522e-09 9.45373405e-10 -2.18826074e-09] [ 1.81120022e-09 -5.02783762e-09 -2.18826074e-09] [ 3.44863499e-09 4.08246421e-09 -2.18826074e-09] [-5.25983522e-09 9.45373405e-10 -2.18826074e-09] [ 2.35919000e-09 -1.55375086e-09 4.95919744e-10] [ 1.65992715e-10 2.81999390e-09 4.95919744e-10] [-2.52518272e-09 -1.26624304e-09 4.95919744e-10] [ 2.35919000e-09 -1.55375086e-09 4.95919744e-10] [ 1.65992715e-10 2.81999390e-09 4.95919744e-10] [-2.52518272e-09 -1.26624304e-09 4.95919744e-10] [ 2.35919000e-09 -1.55375086e-09 4.95919744e-10] [ 1.65992715e-10 2.81999390e-09 4.95919744e-10] [-2.52518272e-09 -1.26624304e-09 4.95919744e-10] [-2.35919000e-09 1.55375086e-09 -4.95919744e-10] [-1.65992715e-10 -2.81999390e-09 -4.95919744e-10] [ 2.52518272e-09 1.26624304e-09 -4.95919744e-10] [-2.35919000e-09 1.55375086e-09 -4.95919744e-10] [-1.65992715e-10 -2.81999390e-09 -4.95919744e-10] [ 2.52518272e-09 1.26624304e-09 -4.95919744e-10] [-2.35919000e-09 1.55375086e-09 -4.95919744e-10] [-1.65992715e-10 -2.81999390e-09 -4.95919744e-10] [ 2.52518272e-09 1.26624304e-09 -4.95919744e-10] [ 3.80885317e-09 1.57239348e-09 -7.94874513e-09] [-3.26615929e-09 2.51236686e-09 -7.94874513e-09] [-5.42693884e-10 -4.08476035e-09 -7.94874513e-09] [ 3.80885317e-09 1.57239348e-09 -7.94874513e-09] [-3.26615929e-09 2.51236686e-09 -7.94874513e-09] [-5.42693884e-10 -4.08476035e-09 -7.94874513e-09] [ 3.80885317e-09 1.57239348e-09 -7.94874513e-09] [-3.26615929e-09 2.51236686e-09 -7.94874513e-09] [-5.42693884e-10 -4.08476035e-09 -7.94874513e-09] [-3.80885317e-09 -1.57239348e-09 7.94874513e-09] [ 3.26615929e-09 -2.51236686e-09 7.94874513e-09] [ 5.42693884e-10 4.08476035e-09 7.94874513e-09] [-3.80885317e-09 -1.57239348e-09 7.94874513e-09] [ 3.26615929e-09 -2.51236686e-09 7.94874513e-09] [ 5.42693884e-10 4.08476035e-09 7.94874513e-09] [-3.80885317e-09 -1.57239348e-09 7.94874513e-09] [ 3.26615929e-09 -2.51236686e-09 7.94874513e-09] [ 5.42693884e-10 4.08476035e-09 7.94874513e-09] [ 6.66540016e-10 -1.35474739e-09 9.54692226e-10] [ 8.39975644e-10 1.25461428e-09 9.54692226e-10] [-1.50651566e-09 1.00133106e-10 9.54692226e-10] [ 6.66540016e-10 -1.35474739e-09 9.54692226e-10] [ 8.39975644e-10 1.25461428e-09 9.54692226e-10] [-1.50651566e-09 1.00133106e-10 9.54692226e-10] [ 6.66540016e-10 -1.35474739e-09 9.54692226e-10] [ 8.39975644e-10 1.25461428e-09 9.54692226e-10] [-1.50651566e-09 1.00133106e-10 9.54692226e-10] [-6.66540016e-10 1.35474739e-09 -9.54692226e-10] [-8.39975644e-10 -1.25461428e-09 -9.54692226e-10] [ 1.50651566e-09 -1.00133106e-10 -9.54692226e-10] [-6.66540016e-10 1.35474739e-09 -9.54692226e-10] [-8.39975644e-10 -1.25461428e-09 -9.54692226e-10] [ 1.50651566e-09 -1.00133106e-10 -9.54692226e-10] [-6.66540016e-10 1.35474739e-09 -9.54692226e-10] [-8.39975644e-10 -1.25461428e-09 -9.54692226e-10] [ 1.50651566e-09 -1.00133106e-10 -9.54692226e-10] [-1.12547961e-09 3.24074249e-09 -1.87223575e-10] [-2.24382552e-09 -2.59506518e-09 -1.87223575e-10] [ 3.36930513e-09 -6.45677312e-10 -1.87223575e-10] [-1.12547961e-09 3.24074249e-09 -1.87223575e-10] [-2.24382552e-09 -2.59506518e-09 -1.87223575e-10] [ 3.36930513e-09 -6.45677312e-10 -1.87223575e-10] [-1.12547961e-09 3.24074249e-09 -1.87223575e-10] [-2.24382552e-09 -2.59506518e-09 -1.87223575e-10] [ 3.36930513e-09 -6.45677312e-10 -1.87223575e-10] [ 1.12547961e-09 -3.24074249e-09 1.87223575e-10] [ 2.24382552e-09 2.59506518e-09 1.87223575e-10] [-3.36930513e-09 6.45677312e-10 1.87223575e-10] [ 1.12547961e-09 -3.24074249e-09 1.87223575e-10] [ 2.24382552e-09 2.59506518e-09 1.87223575e-10] [-3.36930513e-09 6.45677312e-10 1.87223575e-10] [ 1.12547961e-09 -3.24074249e-09 1.87223575e-10] [ 2.24382552e-09 2.59506518e-09 1.87223575e-10] [-3.36930513e-09 6.45677312e-10 1.87223575e-10] [-7.18732461e-10 1.80317460e-09 -1.82003710e-09] [-1.20222878e-09 -1.52402787e-09 -1.82003710e-09] [ 1.92096124e-09 -2.79146728e-10 -1.82003710e-09] [-7.18732461e-10 1.80317460e-09 -1.82003710e-09] [-1.20222878e-09 -1.52402787e-09 -1.82003710e-09] [ 1.92096124e-09 -2.79146728e-10 -1.82003710e-09] [-7.18732461e-10 1.80317460e-09 -1.82003710e-09] [-1.20222878e-09 -1.52402787e-09 -1.82003710e-09] [ 1.92096124e-09 -2.79146728e-10 -1.82003710e-09] [ 7.18732461e-10 -1.80317460e-09 1.82003710e-09] [ 1.20222878e-09 1.52402787e-09 1.82003710e-09] [-1.92096124e-09 2.79146728e-10 1.82003710e-09] [ 7.18732461e-10 -1.80317460e-09 1.82003710e-09] [ 1.20222878e-09 1.52402787e-09 1.82003710e-09] [-1.92096124e-09 2.79146728e-10 1.82003710e-09] [ 7.18732461e-10 -1.80317460e-09 1.82003710e-09] [ 1.20222878e-09 1.52402787e-09 1.82003710e-09] [-1.92096124e-09 2.79146728e-10 1.82003710e-09] [-2.88089730e-09 3.25660838e-09 -3.11747941e-10] [-1.37985694e-09 -4.12323444e-09 -3.11747941e-10] [ 4.26075424e-09 8.66626059e-10 -3.11747941e-10] [-2.88089730e-09 3.25660838e-09 -3.11747941e-10] [-1.37985694e-09 -4.12323444e-09 -3.11747941e-10] [ 4.26075424e-09 8.66626059e-10 -3.11747941e-10] [-2.88089730e-09 3.25660838e-09 -3.11747941e-10] [-1.37985694e-09 -4.12323444e-09 -3.11747941e-10] [ 4.26075424e-09 8.66626059e-10 -3.11747941e-10] [ 2.88089730e-09 -3.25660838e-09 3.11747941e-10] [ 1.37985694e-09 4.12323444e-09 3.11747941e-10] [-4.26075424e-09 -8.66626059e-10 3.11747941e-10] [ 2.88089730e-09 -3.25660838e-09 3.11747941e-10] [ 1.37985694e-09 4.12323444e-09 3.11747941e-10] [-4.26075424e-09 -8.66626059e-10 3.11747941e-10] [ 2.88089730e-09 -3.25660838e-09 3.11747941e-10] [ 1.37985694e-09 4.12323444e-09 3.11747941e-10] [-4.26075424e-09 -8.66626059e-10 3.11747941e-10]] stress = [-9.18183852e-12 -9.18183852e-12 -4.39808653e-12 5.25294944e-27 2.85379395e-27 -5.75226428e-27] energy per atom = -6.611685951736549 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0