element(s): ['C'] AFLOW prototype label: A_oI120_71_lmn6o Parameter names: ['a', 'b/a', 'c/a', 'y1', 'z1', 'x2', 'z2', 'x3', 'y3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['16.9765', '0.53839131', '0.53253026', '0.087794084', '0.41181715', '0.79695569', '0.077206239', '0.95291847', '0.41287669', '0.84820465', '0.25285259', '0.080318454', '0.91460436', '0.33504004', '0.12991053', '0.82302819', '0.12822295', '0.15791096', '0.95658327', '0.28466999', '0.25169645', '0.86554334', '0.080688437', '0.28688349', '0.93091231', '0.15926312', '0.33373657'] model name: Sim_LAMMPS_ReaxFF_XiaoShiHao_2017_PHOC__SM_424780295507_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] representative atom coordinates = [[0. 0.58818285 0.08779408] [0.79695569 0.92279376 0. ] [0.95291847 0. 0.41287669] [0.34820465 0.41968155 0.75285259] [0.41460436 0.37008947 0.83504004] [0.32302819 0.34208904 0.62822295] [0.45658327 0.24830355 0.78466999] [0.36554334 0.21311651 0.58068844] [0.43091231 0.16626343 0.65926312]] spacegroup = 71 cell = [[16.9765, 0, 0], [0, 9.0405, 0], [0, 0, 9.14]] ========================================= Step Time Energy fmax BFGS: 0 17:04:15 -939.992635 11.563037 BFGS: 1 17:04:16 -966.391193 10.830564 BFGS: 2 17:04:17 -967.742456 6.971303 BFGS: 3 17:04:18 -973.347526 5.513821 BFGS: 4 17:04:19 -974.291681 8.210190 BFGS: 5 17:04:20 -969.572424 12.131096 BFGS: 6 17:04:21 -970.096269 12.162661 BFGS: 7 17:04:22 -969.223768 9.184237 BFGS: 8 17:04:23 -976.937381 3.894296 BFGS: 9 17:04:24 -969.855788 10.705865 BFGS: 10 17:04:25 -977.379362 6.336856 BFGS: 11 17:04:26 -972.269039 7.199180 BFGS: 12 17:04:28 -977.827135 5.642889 BFGS: 13 17:04:28 -968.526665 9.870176 BFGS: 14 17:04:29 -976.994911 6.520181 BFGS: 15 17:04:29 -975.447330 6.119055 BFGS: 16 17:04:31 -980.565480 4.644878 BFGS: 17 17:04:32 -965.074544 15.569301 BFGS: 18 17:04:34 -979.466365 6.938995 BFGS: 19 17:04:35 -973.331450 9.294390 BFGS: 20 17:04:36 -978.687959 4.778314 BFGS: 21 17:04:37 -972.997423 9.746583 BFGS: 22 17:04:37 -980.163529 3.381624 BFGS: 23 17:04:38 -978.487296 4.590026 BFGS: 24 17:04:39 -980.980829 4.052763 BFGS: 25 17:04:39 -976.622215 6.988541 BFGS: 26 17:04:40 -980.796101 4.330994 BFGS: 27 17:04:40 -977.770043 5.722613 BFGS: 28 17:04:41 -980.067803 3.862156 BFGS: 29 17:04:41 -977.981112 6.635056 BFGS: 30 17:04:42 -981.361900 2.253404 BFGS: 31 17:04:43 -978.189389 6.097917 BFGS: 32 17:04:44 -981.021968 4.152552 BFGS: 33 17:04:45 -977.390106 6.674600 BFGS: 34 17:04:46 -980.825036 3.956618 BFGS: 35 17:04:47 -977.275688 9.995070 BFGS: 36 17:04:48 -980.510243 4.053871 BFGS: 37 17:04:49 -977.987021 5.859046 BFGS: 38 17:04:50 -981.149278 3.288414 BFGS: 39 17:04:50 -977.414357 5.792824 BFGS: 40 17:04:51 -980.445882 4.061886 BFGS: 41 17:04:51 -978.362239 5.769681 BFGS: 42 17:04:52 -981.323462 2.789641 BFGS: 43 17:04:53 -977.804404 5.781040 BFGS: 44 17:04:54 -980.653775 3.934755 BFGS: 45 17:04:54 -978.234517 5.589173 BFGS: 46 17:04:55 -981.202730 3.374598 BFGS: 47 17:04:55 -977.555324 5.977900 BFGS: 48 17:04:56 -980.478942 3.751450 BFGS: 49 17:04:58 -978.401563 5.374332 BFGS: 50 17:04:58 -981.311610 2.926531 BFGS: 51 17:04:59 -977.605490 5.766291 BFGS: 52 17:04:59 -980.594689 3.828020 BFGS: 53 17:05:01 -978.321783 5.464987 BFGS: 54 17:05:02 -981.283937 3.205397 BFGS: 55 17:05:03 -977.856401 5.543886 BFGS: 56 17:05:03 -980.602414 3.761054 BFGS: 57 17:05:04 -978.500344 5.290234 BFGS: 58 17:05:05 -981.311894 3.144509 BFGS: 59 17:05:06 -977.795341 5.560141 BFGS: 60 17:05:06 -980.570709 3.798528 BFGS: 61 17:05:06 -978.848560 5.033480 BFGS: 62 17:05:07 -981.375041 2.966717 BFGS: 63 17:05:07 -977.735736 5.649808 BFGS: 64 17:05:07 -980.582375 3.788933 BFGS: 65 17:05:08 -978.874051 4.952782 BFGS: 66 17:05:08 -981.386498 2.951707 BFGS: 67 17:05:08 -977.964326 5.335323 BFGS: 68 17:05:09 -980.641627 3.774427 BFGS: 69 17:05:09 -978.790488 5.015752 BFGS: 70 17:05:09 -981.363335 3.140392 BFGS: 71 17:05:10 -978.090185 5.250182 BFGS: 72 17:05:10 -980.647961 3.743641 BFGS: 73 17:05:11 -978.849232 4.939502 BFGS: 74 17:05:11 -981.376207 3.117238 BFGS: 75 17:05:12 -978.145332 5.074405 BFGS: 76 17:05:12 -980.660369 3.747595 BFGS: 77 17:05:13 -978.890270 4.904372 BFGS: 78 17:05:15 -981.385173 3.125582 BFGS: 79 17:05:17 -978.202816 5.004187 BFGS: 80 17:05:17 -980.673485 3.744421 BFGS: 81 17:05:19 -978.927073 4.869258 BFGS: 82 17:05:20 -981.392002 3.133608 BFGS: 83 17:05:21 -978.247127 4.958653 BFGS: 84 17:05:22 -980.683137 3.749158 BFGS: 85 17:05:23 -978.976677 4.834468 BFGS: 86 17:05:23 -981.401901 3.130444 BFGS: 87 17:05:23 -978.277560 4.951519 BFGS: 88 17:05:24 -980.691205 3.753460 BFGS: 89 17:05:25 -979.031149 4.796980 BFGS: 90 17:05:25 -981.412772 3.119713 BFGS: 91 17:05:26 -978.303249 4.940147 BFGS: 92 17:05:27 -980.699443 3.757498 BFGS: 93 17:05:27 -979.078530 4.762927 BFGS: 94 17:05:29 -981.422391 3.112007 BFGS: 95 17:05:30 -978.332968 4.911151 BFGS: 96 17:05:31 -980.709507 3.758990 BFGS: 97 17:05:31 -979.111627 4.735198 BFGS: 98 17:05:32 -981.429039 3.114347 BFGS: 99 17:05:32 -978.369793 4.860630 BFGS: 100 17:05:34 -980.721187 3.758691 BFGS: 101 17:05:35 -979.131714 4.714696 BFGS: 102 17:05:36 -981.433026 3.125978 BFGS: 103 17:05:36 -978.408878 4.804472 BFGS: 104 17:05:37 -980.732752 3.758246 BFGS: 105 17:05:39 -979.146103 4.698546 BFGS: 106 17:05:41 -981.436073 3.139768 BFGS: 107 17:05:42 -978.444476 4.756313 BFGS: 108 17:05:44 -980.743142 3.758725 BFGS: 109 17:05:46 -979.160905 4.684200 BFGS: 110 17:05:47 -981.439472 3.150561 BFGS: 111 17:05:48 -978.474216 4.722233 BFGS: 112 17:05:49 -980.752148 3.760433 BFGS: 113 17:05:50 -979.179262 4.670183 BFGS: 114 17:05:51 -981.443795 3.156309 BFGS: 115 17:05:53 -978.498272 4.701760 BFGS: 116 17:05:55 -980.760005 3.763133 BFGS: 117 17:05:55 -979.201206 4.655894 BFGS: 118 17:05:56 -981.449008 3.157502 BFGS: 119 17:05:56 -978.518426 4.689466 BFGS: 120 17:05:57 -980.767253 3.766162 BFGS: 121 17:05:58 -979.224453 4.641438 BFGS: 122 17:05:59 -981.454574 3.156473 BFGS: 123 17:05:59 -978.536965 4.678733 BFGS: 124 17:06:00 -980.774418 3.768969 BFGS: 125 17:06:01 -979.246478 4.627341 BFGS: 126 17:06:01 -981.459902 3.155723 BFGS: 127 17:06:02 -978.555690 4.664958 BFGS: 128 17:06:03 -980.781824 3.771257 BFGS: 129 17:06:03 -979.265594 4.614298 BFGS: 130 17:06:04 -981.464604 3.156938 BFGS: 131 17:06:04 -978.575425 4.646641 BFGS: 132 17:06:05 -980.789525 3.773006 BFGS: 133 17:06:06 -979.281318 4.602814 BFGS: 134 17:06:06 -981.468582 3.160558 BFGS: 135 17:06:07 -978.595892 4.625252 BFGS: 136 17:06:07 -980.797322 3.774418 BFGS: 137 17:06:07 -979.294325 4.592905 BFGS: 138 17:06:09 -981.472024 3.165818 BFGS: 139 17:06:09 -978.616168 4.603593 BFGS: 140 17:06:10 -980.804940 3.775739 BFGS: 141 17:06:10 -979.305822 4.584184 BFGS: 142 17:06:11 -981.475228 3.171476 BFGS: 143 17:06:11 -978.635379 4.583953 BFGS: 144 17:06:12 -980.812191 3.777131 BFGS: 145 17:06:13 -979.316888 4.576176 BFGS: 146 17:06:13 -981.478440 3.176532 BFGS: 147 17:06:14 -978.653060 4.567408 BFGS: 148 17:06:14 -980.819010 3.778663 BFGS: 149 17:06:15 -979.328187 4.568504 BFGS: 150 17:06:15 -981.481795 3.180474 BFGS: 151 17:06:16 -978.669152 4.553945 BFGS: 152 17:06:16 -980.825424 3.780330 BFGS: 153 17:06:17 -979.339927 4.560961 BFGS: 154 17:06:17 -981.485318 3.183253 BFGS: 155 17:06:18 -978.683881 4.542838 BFGS: 156 17:06:18 -980.831520 3.782078 BFGS: 157 17:06:19 -979.351951 4.553499 BFGS: 158 17:06:20 -981.488956 3.185149 BFGS: 159 17:06:20 -978.697616 4.533090 BFGS: 160 17:06:21 -980.837398 3.783836 BFGS: 161 17:06:22 -979.363903 4.546185 BFGS: 162 17:06:22 -981.492526 3.186541 BFGS: 163 17:06:23 -978.708602 4.526511 BFGS: 164 17:06:23 -980.842227 3.785314 BFGS: 165 17:06:24 -979.377603 4.536933 BFGS: 166 17:06:24 -981.496892 3.184294 BFGS: 167 17:06:25 -978.720021 4.518446 BFGS: 168 17:06:25 -980.847783 3.787078 BFGS: 169 17:06:26 -979.388822 4.530268 BFGS: 170 17:06:26 -981.500466 3.185643 BFGS: 171 17:06:26 -978.732655 4.509890 BFGS: 172 17:06:27 -980.853485 3.788481 BFGS: 173 17:06:27 -979.398350 4.524458 BFGS: 174 17:06:28 -981.503618 3.188246 BFGS: 175 17:06:28 -978.745601 4.499248 BFGS: 176 17:06:29 -980.859167 3.789858 BFGS: 177 17:06:29 -979.406587 4.519642 BFGS: 178 17:06:30 -981.506505 3.191658 BFGS: 179 17:06:30 -978.758401 4.487983 BFGS: 180 17:06:31 -980.864720 3.791138 BFGS: 181 17:06:31 -979.413986 4.515426 BFGS: 182 17:06:32 -981.509246 3.195311 BFGS: 183 17:06:32 -978.770652 4.476971 BFGS: 184 17:06:33 -980.870041 3.792389 BFGS: 185 17:06:33 -979.421029 4.511520 BFGS: 186 17:06:34 -981.511972 3.198710 BFGS: 187 17:06:34 -978.782102 4.467052 BFGS: 188 17:06:34 -980.875089 3.793611 BFGS: 189 17:06:35 -979.428056 4.507651 BFGS: 190 17:06:35 -981.514762 3.201553 BFGS: 191 17:06:36 -978.792675 4.458531 BFGS: 192 17:06:36 -980.879868 3.794811 BFGS: 193 17:06:37 -979.435255 4.503666 BFGS: 194 17:06:37 -981.517649 3.203730 BFGS: 195 17:06:38 -978.844425 4.414204 BFGS: 196 17:06:38 -980.901884 3.802343 BFGS: 197 17:06:39 -979.421913 4.524022 BFGS: 198 17:06:39 -981.508947 3.258150 BFGS: 199 17:06:40 -978.954374 4.326610 BFGS: 200 17:06:41 -980.943108 3.815674 BFGS: 201 17:06:41 -979.383094 4.570971 BFGS: 202 17:06:42 -981.486412 3.364332 BFGS: 203 17:06:42 -979.056926 4.247114 BFGS: 204 17:06:42 -980.978494 3.825983 BFGS: 205 17:06:43 -979.346225 4.611844 BFGS: 206 17:06:44 -981.466507 3.448671 BFGS: 207 17:06:44 -979.135967 4.181935 BFGS: 208 17:06:45 -981.008273 3.834407 BFGS: 209 17:06:45 -979.312539 4.649660 BFGS: 210 17:06:45 -981.449573 3.515341 BFGS: 211 17:06:46 -979.196006 4.134563 BFGS: 212 17:06:46 -981.032717 3.840998 BFGS: 213 17:06:47 -979.283396 4.683739 BFGS: 214 17:06:47 -981.435786 3.566442 BFGS: 215 17:06:47 -979.240619 4.101568 BFGS: 216 17:06:48 -981.052187 3.846676 BFGS: 217 17:06:48 -979.259530 4.714468 BFGS: 218 17:06:49 -981.425182 3.604724 BFGS: 219 17:06:49 -979.273210 4.079254 BFGS: 220 17:06:49 -981.067347 3.851556 BFGS: 221 17:06:50 -979.240464 4.741520 BFGS: 222 17:06:50 -981.417432 3.633148 BFGS: 223 17:06:51 -979.297249 4.063069 BFGS: 224 17:06:51 -981.079193 3.855604 BFGS: 225 17:06:51 -979.241760 4.748480 BFGS: 226 17:06:52 -981.415015 3.647570 BFGS: 227 17:06:52 -979.313180 4.053351 BFGS: 228 17:06:52 -981.087447 3.858592 BFGS: 229 17:06:52 -979.254280 4.743776 BFGS: 230 17:06:52 -981.416410 3.652574 BFGS: 231 17:06:53 -979.324610 4.046963 BFGS: 232 17:06:53 -981.093538 3.860940 BFGS: 233 17:06:54 -979.268314 4.736884 BFGS: 234 17:06:54 -981.419141 3.654286 BFGS: 235 17:06:54 -979.334827 4.041204 BFGS: 236 17:06:55 -981.099019 3.862976 BFGS: 237 17:06:55 -979.282133 4.729518 BFGS: 238 17:06:55 -981.422134 3.655322 BFGS: 239 17:06:55 -979.345002 4.035332 BFGS: 240 17:06:56 -981.104472 3.864811 BFGS: 241 17:06:56 -979.295072 4.722405 BFGS: 242 17:06:57 -981.424976 3.656654 BFGS: 243 17:06:57 -979.355406 4.029195 BFGS: 244 17:06:58 -981.110041 3.866505 BFGS: 245 17:06:58 -979.307006 4.715773 BFGS: 246 17:06:58 -981.427564 3.658506 BFGS: 247 17:06:59 -979.365937 4.022884 BFGS: 248 17:06:59 -981.115687 3.868075 BFGS: 249 17:06:59 -979.318067 4.709581 BFGS: 250 17:07:00 -981.429937 3.660771 BFGS: 251 17:07:00 -979.376387 4.016541 BFGS: 252 17:07:00 -981.121312 3.869530 BFGS: 253 17:07:01 -979.328480 4.703684 BFGS: 254 17:07:01 -981.432179 3.663233 BFGS: 255 17:07:02 -979.386566 4.010287 BFGS: 256 17:07:02 -981.126825 3.870877 BFGS: 257 17:07:03 -979.338474 4.697945 BFGS: 258 17:07:03 -981.434117 3.666286 BFGS: 259 17:07:03 -979.397464 4.000807 BFGS: 260 17:07:04 -981.132677 3.872565 BFGS: 261 17:07:04 -979.347520 4.693776 BFGS: 262 17:07:05 -981.435964 3.669581 BFGS: 263 17:07:05 -979.407022 3.994564 BFGS: 264 17:07:06 -981.137944 3.873865 BFGS: 265 17:07:06 -979.357743 4.687899 BFGS: 266 17:07:06 -981.438270 3.671396 BFGS: 267 17:07:06 -979.415752 3.989729 BFGS: 268 17:07:07 -981.142805 3.875103 BFGS: 269 17:07:07 -979.368648 4.681212 BFGS: 270 17:07:07 -981.440879 3.672378 BFGS: 271 17:07:07 -979.424113 3.985494 BFGS: 272 17:07:08 -981.147476 3.876242 BFGS: 273 17:07:08 -979.379706 4.674137 BFGS: 274 17:07:08 -981.443584 3.673031 BFGS: 275 17:07:08 -979.432427 3.981029 BFGS: 276 17:07:09 -981.152118 3.877317 BFGS: 277 17:07:09 -979.390538 4.667061 BFGS: 278 17:07:09 -981.446239 3.673736 BFGS: 279 17:07:09 -979.440823 3.976054 BFGS: 280 17:07:10 -981.156799 3.878339 BFGS: 281 17:07:10 -979.400965 4.660179 BFGS: 282 17:07:11 -981.448776 3.674653 BFGS: 283 17:07:11 -979.449294 3.970601 BFGS: 284 17:07:12 -981.161520 3.879315 BFGS: 285 17:07:12 -979.410957 4.653558 BFGS: 286 17:07:12 -981.451189 3.675795 BFGS: 287 17:07:13 -979.457767 3.964880 BFGS: 288 17:07:13 -981.166249 3.880253 BFGS: 289 17:07:13 -979.420570 4.647185 BFGS: 290 17:07:14 -981.453504 3.677092 BFGS: 291 17:07:14 -979.466158 3.959127 BFGS: 292 17:07:14 -981.170945 3.881155 BFGS: 293 17:07:15 -979.429886 4.641013 BFGS: 294 17:07:15 -981.455753 3.678459 BFGS: 295 17:07:16 -979.474406 3.953527 BFGS: 296 17:07:16 -981.175578 3.882026 BFGS: 297 17:07:16 -979.438973 4.634996 BFGS: 298 17:07:16 -981.457966 3.679830 BFGS: 299 17:07:17 -979.482479 3.948179 BFGS: 300 17:07:17 -981.180130 3.882868 BFGS: 301 17:07:17 -979.447876 4.629099 BFGS: 302 17:07:17 -981.460158 3.681165 BFGS: 303 17:07:18 -979.490367 3.943113 BFGS: 304 17:07:18 -981.184596 3.883683 BFGS: 305 17:07:18 -979.456620 4.623304 BFGS: 306 17:07:19 -981.462336 3.682448 BFGS: 307 17:07:19 -979.498076 3.938313 BFGS: 308 17:07:19 -981.188978 3.884471 BFGS: 309 17:07:20 -979.465214 4.617602 BFGS: 310 17:07:20 -981.464501 3.683681 BFGS: 311 17:07:20 -979.505617 3.933743 BFGS: 312 17:07:21 -981.193280 3.885235 BFGS: 313 17:07:21 -979.473660 4.611991 BFGS: 314 17:07:21 -981.466652 3.684867 BFGS: 315 17:07:21 -979.512998 3.929363 BFGS: 316 17:07:22 -981.197506 3.885975 BFGS: 317 17:07:22 -979.481963 4.606467 BFGS: 318 17:07:22 -981.468788 3.686013 BFGS: 319 17:07:22 -979.520228 3.925144 BFGS: 320 17:07:23 -981.201658 3.886692 BFGS: 321 17:07:23 -979.490128 4.601025 BFGS: 322 17:07:23 -981.470909 3.687118 BFGS: 323 17:07:23 -979.527310 3.921061 BFGS: 324 17:07:23 -981.205740 3.887387 BFGS: 325 17:07:24 -979.498165 4.595656 BFGS: 326 17:07:24 -981.473016 3.688183 BFGS: 327 17:07:24 -979.534248 3.917100 BFGS: 328 17:07:24 -981.209752 3.888061 BFGS: 329 17:07:25 -979.506086 4.590351 BFGS: 330 17:07:25 -981.475111 3.689203 BFGS: 331 17:07:25 -979.541044 3.913253 BFGS: 332 17:07:26 -981.213694 3.888714 BFGS: 333 17:07:26 -979.513902 4.585101 BFGS: 334 17:07:26 -981.477195 3.690176 BFGS: 335 17:07:27 -979.547705 3.909514 BFGS: 336 17:07:27 -981.217570 3.889349 BFGS: 337 17:07:27 -979.521622 4.579898 BFGS: 338 17:07:27 -981.479272 3.691098 BFGS: 339 17:07:28 -979.554235 3.905876 BFGS: 340 17:07:28 -981.221381 3.889965 BFGS: 341 17:07:28 -979.529255 4.574735 BFGS: 342 17:07:29 -981.481340 3.691971 BFGS: 343 17:07:29 -979.560644 3.902335 BFGS: 344 17:07:29 -981.225131 3.890563 BFGS: 345 17:07:29 -979.536806 4.569611 BFGS: 346 17:07:30 -981.483400 3.692797 BFGS: 347 17:07:30 -979.566940 3.898885 BFGS: 348 17:07:30 -981.228825 3.891145 BFGS: 349 17:07:30 -979.544277 4.564523 BFGS: 350 17:07:31 -981.485450 3.693579 BFGS: 351 17:07:31 -979.573132 3.895520 BFGS: 352 17:07:31 -981.232466 3.891712 BFGS: 353 17:07:32 -979.551669 4.559473 BFGS: 354 17:07:32 -981.487489 3.694323 BFGS: 355 17:07:33 -979.579229 3.892236 BFGS: 356 17:07:33 -981.236058 3.892264 BFGS: 357 17:07:33 -979.558981 4.554463 BFGS: 358 17:07:34 -981.489515 3.695035 BFGS: 359 17:07:34 -979.585241 3.889026 BFGS: 360 17:07:34 -981.239606 3.892801 BFGS: 361 17:07:34 -979.566213 4.549495 BFGS: 362 17:07:34 -981.491527 3.695720 BFGS: 363 17:07:34 -979.591172 3.885887 BFGS: 364 17:07:34 -981.243112 3.893325 BFGS: 365 17:07:34 -979.573362 4.544571 BFGS: 366 17:07:35 -981.493522 3.696384 BFGS: 367 17:07:35 -979.597029 3.882814 BFGS: 368 17:07:35 -981.246580 3.893835 BFGS: 369 17:07:35 -979.580429 4.539694 BFGS: 370 17:07:35 -981.495500 3.697029 BFGS: 371 17:07:35 -979.602817 3.879805 BFGS: 372 17:07:36 -981.250011 3.894333 BFGS: 373 17:07:36 -979.587413 4.534864 BFGS: 374 17:07:36 -981.497460 3.697659 BFGS: 375 17:07:37 -979.608537 3.876856 BFGS: 376 17:07:37 -981.253406 3.894817 BFGS: 377 17:07:37 -979.594315 4.530082 BFGS: 378 17:07:37 -981.499401 3.698276 BFGS: 379 17:07:37 -979.614193 3.873965 BFGS: 380 17:07:37 -981.256767 3.895289 BFGS: 381 17:07:38 -979.601135 4.525348 BFGS: 382 17:07:38 -981.501324 3.698881 BFGS: 383 17:07:38 -979.619785 3.871131 BFGS: 384 17:07:38 -981.260094 3.895749 BFGS: 385 17:07:39 -979.607876 4.520660 BFGS: 386 17:07:39 -981.503228 3.699473 BFGS: 387 17:07:39 -979.625315 3.868350 BFGS: 388 17:07:39 -981.263388 3.896197 BFGS: 389 17:07:40 -979.614541 4.516017 BFGS: 390 17:07:40 -981.505116 3.700052 BFGS: 391 17:07:41 -979.630782 3.865621 BFGS: 392 17:07:41 -981.266648 3.896633 BFGS: 393 17:07:41 -979.621132 4.511417 BFGS: 394 17:07:41 -981.506986 3.700618 BFGS: 395 17:07:42 -979.636188 3.862943 BFGS: 396 17:07:42 -981.269875 3.897058 BFGS: 397 17:07:42 -979.627652 4.506858 BFGS: 398 17:07:43 -981.508841 3.701169 BFGS: 399 17:07:43 -979.641533 3.860313 BFGS: 400 17:07:43 -981.273069 3.897472 BFGS: 401 17:07:44 -979.634104 4.502338 BFGS: 402 17:07:44 -981.510680 3.701705 BFGS: 403 17:07:44 -979.646818 3.857729 BFGS: 404 17:07:45 -981.276231 3.897875 BFGS: 405 17:07:45 -979.640491 4.497854 BFGS: 406 17:07:45 -981.512504 3.702226 BFGS: 407 17:07:45 -979.652045 3.855190 BFGS: 408 17:07:45 -981.279360 3.898267 BFGS: 409 17:07:46 -979.646816 4.493406 BFGS: 410 17:07:46 -981.514314 3.702730 BFGS: 411 17:07:46 -979.657215 3.852694 BFGS: 412 17:07:46 -981.282459 3.898648 BFGS: 413 17:07:46 -979.653081 4.488991 BFGS: 414 17:07:47 -981.516111 3.703217 BFGS: 415 17:07:47 -979.662329 3.850238 BFGS: 416 17:07:47 -981.285527 3.899020 BFGS: 417 17:07:48 -979.659287 4.484608 BFGS: 418 17:07:48 -981.517894 3.703689 BFGS: 419 17:07:48 -979.667390 3.847822 BFGS: 420 17:07:48 -981.288565 3.899381 BFGS: 421 17:07:49 -979.665436 4.480257 BFGS: 422 17:07:49 -981.519663 3.704145 BFGS: 423 17:07:49 -979.672400 3.845444 BFGS: 424 17:07:50 -981.291575 3.899733 BFGS: 425 17:07:50 -979.671530 4.475937 BFGS: 426 17:07:50 -981.521419 3.704586 BFGS: 427 17:07:50 -979.677361 3.843102 BFGS: 428 17:07:50 -981.294557 3.900074 BFGS: 429 17:07:51 -979.677569 4.471648 BFGS: 430 17:07:51 -981.523162 3.705014 BFGS: 431 17:07:51 -979.682274 3.840796 BFGS: 432 17:07:51 -981.297512 3.900406 BFGS: 433 17:07:51 -979.683553 4.467390 BFGS: 434 17:07:52 -981.524891 3.705428 BFGS: 435 17:07:52 -979.687141 3.838522 BFGS: 436 17:07:52 -981.300442 3.900729 BFGS: 437 17:07:52 -979.689484 4.463162 BFGS: 438 17:07:52 -981.526607 3.705830 BFGS: 439 17:07:53 -979.691965 3.836282 BFGS: 440 17:07:53 -981.303346 3.901042 BFGS: 441 17:07:53 -979.695362 4.458965 BFGS: 442 17:07:53 -981.528309 3.706222 BFGS: 443 17:07:54 -979.696747 3.834073 BFGS: 444 17:07:54 -981.306226 3.901346 BFGS: 445 17:07:54 -979.701188 4.454799 BFGS: 446 17:07:54 -981.529997 3.706603 BFGS: 447 17:07:55 -979.701488 3.831894 BFGS: 448 17:07:55 -981.309083 3.901641 BFGS: 449 17:07:55 -979.706961 4.450664 BFGS: 450 17:07:55 -981.531672 3.706974 BFGS: 451 17:07:56 -979.706189 3.829745 BFGS: 452 17:07:56 -981.311916 3.901927 BFGS: 453 17:07:56 -979.712683 4.446559 BFGS: 454 17:07:56 -981.533333 3.707337 BFGS: 455 17:07:57 -979.710851 3.827625 BFGS: 456 17:07:57 -981.314727 3.902204 BFGS: 457 17:07:57 -979.718354 4.442485 BFGS: 458 17:07:57 -981.534980 3.707692 BFGS: 459 17:07:57 -979.715476 3.825534 BFGS: 460 17:07:58 -981.317515 3.902472 BFGS: 461 17:07:58 -979.723975 4.438441 BFGS: 462 17:07:58 -981.536614 3.708038 BFGS: 463 17:07:58 -979.720064 3.823469 BFGS: 464 17:07:59 -981.320282 3.902731 BFGS: 465 17:07:59 -979.729547 4.434427 BFGS: 466 17:07:59 -981.538235 3.708376 BFGS: 467 17:07:59 -979.724615 3.821432 BFGS: 468 17:08:00 -981.323028 3.902982 BFGS: 469 17:08:00 -979.735070 4.430443 BFGS: 470 17:08:00 -981.539843 3.708706 BFGS: 471 17:08:00 -979.729130 3.819420 BFGS: 472 17:08:01 -981.325752 3.903224 BFGS: 473 17:08:01 -979.740546 4.426487 BFGS: 474 17:08:01 -981.541438 3.709028 BFGS: 475 17:08:01 -979.733610 3.817434 BFGS: 476 17:08:01 -981.328456 3.903458 BFGS: 477 17:08:01 -979.745976 4.422560 BFGS: 478 17:08:02 -981.543021 3.709342 BFGS: 479 17:08:02 -979.738055 3.815472 BFGS: 480 17:08:02 -981.331139 3.903683 BFGS: 481 17:08:02 -979.751360 4.418661 BFGS: 482 17:08:02 -981.544592 3.709648 BFGS: 483 17:08:03 -979.742466 3.813535 BFGS: 484 17:08:03 -981.333801 3.903901 BFGS: 485 17:08:03 -979.756700 4.414789 BFGS: 486 17:08:03 -981.546150 3.709946 BFGS: 487 17:08:04 -979.746843 3.811621 BFGS: 488 17:08:04 -981.336444 3.904109 BFGS: 489 17:08:04 -979.761996 4.410944 BFGS: 490 17:08:04 -981.547697 3.710237 BFGS: 491 17:08:05 -979.751187 3.809729 BFGS: 492 17:08:05 -981.339067 3.904310 BFGS: 493 17:08:05 -979.767249 4.407126 BFGS: 494 17:08:06 -981.549233 3.710519 BFGS: 495 17:08:06 -979.755499 3.807860 BFGS: 496 17:08:06 -981.341670 3.904503 BFGS: 497 17:08:06 -979.772461 4.403333 BFGS: 498 17:08:07 -981.550757 3.710794 BFGS: 499 17:08:07 -979.759780 3.806012 BFGS: 500 17:08:07 -981.344255 3.904688 BFGS: 501 17:08:08 -979.777631 4.399566 BFGS: 502 17:08:08 -981.552270 3.711061 BFGS: 503 17:08:08 -979.764029 3.804186 BFGS: 504 17:08:09 -981.346821 3.904865 BFGS: 505 17:08:09 -979.782760 4.395824 BFGS: 506 17:08:09 -981.553772 3.711320 BFGS: 507 17:08:09 -979.768248 3.802380 BFGS: 508 17:08:09 -981.349368 3.905034 BFGS: 509 17:08:09 -979.787850 4.392108 BFGS: 510 17:08:10 -981.555263 3.711572 BFGS: 511 17:08:10 -979.772438 3.800594 BFGS: 512 17:08:10 -981.351898 3.905195 BFGS: 513 17:08:10 -979.792900 4.388416 BFGS: 514 17:08:11 -981.556744 3.711818 BFGS: 515 17:08:11 -979.776599 3.798827 BFGS: 516 17:08:11 -981.354410 3.905349 BFGS: 517 17:08:11 -979.797911 4.384749 BFGS: 518 17:08:12 -981.558213 3.712056 BFGS: 519 17:08:12 -979.780732 3.797080 BFGS: 520 17:08:12 -981.356905 3.905495 BFGS: 521 17:08:13 -979.802884 4.381107 BFGS: 522 17:08:13 -981.559673 3.712289 BFGS: 523 17:08:13 -979.784837 3.795351 BFGS: 524 17:08:13 -981.359383 3.905633 BFGS: 525 17:08:14 -979.807819 4.377489 BFGS: 526 17:08:14 -981.561121 3.712515 BFGS: 527 17:08:14 -979.788916 3.793641 BFGS: 528 17:08:14 -981.361845 3.905764 BFGS: 529 17:08:15 -979.812716 4.373895 BFGS: 530 17:08:15 -981.562560 3.712735 BFGS: 531 17:08:15 -979.792968 3.791948 BFGS: 532 17:08:15 -981.364290 3.905887 BFGS: 533 17:08:15 -979.817576 4.370326 BFGS: 534 17:08:16 -981.563988 3.712949 BFGS: 535 17:08:16 -979.796994 3.790273 BFGS: 536 17:08:16 -981.366720 3.906003 BFGS: 537 17:08:17 -979.822399 4.366780 BFGS: 538 17:08:17 -981.565406 3.713158 BFGS: 539 17:08:17 -979.800995 3.788616 BFGS: 540 17:08:17 -981.369133 3.906111 BFGS: 541 17:08:18 -979.827186 4.363258 BFGS: 542 17:08:18 -981.566814 3.713362 BFGS: 543 17:08:18 -979.804971 3.786975 BFGS: 544 17:08:18 -981.371532 3.906212 BFGS: 545 17:08:19 -979.831937 4.359760 BFGS: 546 17:08:19 -981.568212 3.713560 BFGS: 547 17:08:19 -979.808922 3.785351 BFGS: 548 17:08:19 -981.373915 3.906305 BFGS: 549 17:08:20 -979.836653 4.356285 BFGS: 550 17:08:20 -981.569601 3.713754 BFGS: 551 17:08:20 -979.812849 3.783743 BFGS: 552 17:08:20 -981.376283 3.906392 BFGS: 553 17:08:21 -979.841334 4.352834 BFGS: 554 17:08:21 -981.570979 3.713942 BFGS: 555 17:08:21 -979.816753 3.782151 BFGS: 556 17:08:21 -981.378636 3.906471 BFGS: 557 17:08:21 -979.845981 4.349405 BFGS: 558 17:08:21 -981.572349 3.714126 BFGS: 559 17:08:22 -979.820633 3.780575 BFGS: 560 17:08:22 -981.380975 3.906542 BFGS: 561 17:08:22 -979.850594 4.345999 BFGS: 562 17:08:22 -981.573709 3.714304 BFGS: 563 17:08:22 -979.824490 3.779014 BFGS: 564 17:08:23 -981.383299 3.906607 BFGS: 565 17:08:23 -979.855174 4.342616 BFGS: 566 17:08:23 -981.575060 3.714478 BFGS: 567 17:08:23 -979.828325 3.777468 BFGS: 568 17:08:23 -981.385609 3.906665 BFGS: 569 17:08:23 -979.859720 4.339254 BFGS: 570 17:08:24 -981.576402 3.714647 BFGS: 571 17:08:24 -979.832137 3.775937 BFGS: 572 17:08:24 -981.387905 3.906715 BFGS: 573 17:08:24 -979.864235 4.335915 BFGS: 574 17:08:25 -981.577735 3.714811 BFGS: 575 17:08:25 -979.835927 3.774421 BFGS: 576 17:08:25 -981.390188 3.906758 BFGS: 577 17:08:25 -979.868717 4.332598 BFGS: 578 17:08:26 -981.579060 3.714970 BFGS: 579 17:08:26 -979.839695 3.772918 BFGS: 580 17:08:26 -981.392456 3.906795 BFGS: 581 17:08:26 -979.873169 4.329302 BFGS: 582 17:08:26 -981.580376 3.715125 BFGS: 583 17:08:26 -979.843443 3.771430 BFGS: 584 17:08:27 -981.394712 3.906824 BFGS: 585 17:08:27 -979.877589 4.326027 BFGS: 586 17:08:27 -981.581683 3.715275 BFGS: 587 17:08:27 -979.847169 3.769955 BFGS: 588 17:08:27 -981.396954 3.906847 BFGS: 589 17:08:28 -979.896584 4.307636 BFGS: 590 17:08:28 -981.586650 3.706739 BFGS: 591 17:08:28 -979.847610 3.771251 BFGS: 592 17:08:28 -981.397374 3.907105 BFGS: 593 17:08:28 -979.934334 4.269767 BFGS: 594 17:08:29 -981.597175 3.683948 BFGS: 595 17:08:29 -979.843802 3.775925 BFGS: 596 17:08:29 -981.395535 3.907646 BFGS: 597 17:08:29 -979.971061 4.232941 BFGS: 598 17:08:29 -981.608498 3.657436 BFGS: 599 17:08:29 -979.841091 3.779413 BFGS: 600 17:08:29 -981.394425 3.908040 BFGS: 601 17:08:29 -980.003854 4.200322 BFGS: 602 17:08:30 -981.618666 3.632650 BFGS: 603 17:08:30 -979.841409 3.780342 BFGS: 604 17:08:30 -981.394997 3.908116 BFGS: 605 17:08:30 -980.032288 4.172374 BFGS: 606 17:08:31 -981.627147 3.611742 BFGS: 607 17:08:31 -979.845017 3.778694 BFGS: 608 17:08:31 -981.397271 3.907867 BFGS: 609 17:08:31 -980.056937 4.148467 BFGS: 610 17:08:31 -981.634049 3.594970 BFGS: 611 17:08:32 -979.851452 3.775015 BFGS: 612 17:08:32 -981.400926 3.907337 BFGS: 613 17:08:32 -980.078613 4.127738 BFGS: 614 17:08:32 -981.639692 3.581747 BFGS: 615 17:08:32 -979.860044 3.769973 BFGS: 616 17:08:32 -981.405589 3.906573 BFGS: 617 17:08:33 -980.098050 4.109430 BFGS: 618 17:08:33 -981.644404 3.571261 BFGS: 619 17:08:33 -979.870171 3.764133 BFGS: 620 17:08:33 -981.410945 3.905614 BFGS: 621 17:08:33 -980.115820 4.092958 BFGS: 622 17:08:34 -981.648455 3.562766 BFGS: 623 17:08:34 -979.881338 3.757883 BFGS: 624 17:08:34 -981.416754 3.904488 BFGS: 625 17:08:34 -980.132344 4.077887 BFGS: 626 17:08:35 -981.652045 3.555669 BFGS: 627 17:08:35 -979.893184 3.751451 BFGS: 628 17:08:35 -981.422853 3.903210 BFGS: 629 17:08:35 -980.147927 4.063897 BFGS: 630 17:08:35 -981.655318 3.549531 BFGS: 631 17:08:36 -979.905458 3.744960 BFGS: 632 17:08:36 -981.429126 3.901792 BFGS: 633 17:08:36 -980.162786 4.050752 BFGS: 634 17:08:36 -981.658373 3.544034 BFGS: 635 17:08:37 -979.917987 3.741006 BFGS: 636 17:08:37 -981.435499 3.900239 BFGS: 637 17:08:37 -980.177078 4.038282 BFGS: 638 17:08:37 -981.661283 3.538954 BFGS: 639 17:08:37 -979.930648 3.741348 BFGS: 640 17:08:38 -981.441918 3.898558 BFGS: 641 17:08:38 -980.190914 4.026368 BFGS: 642 17:08:38 -981.664095 3.534130 BFGS: 643 17:08:38 -979.943357 3.741726 BFGS: 644 17:08:38 -981.448347 3.896751 BFGS: 645 17:08:38 -980.204371 4.014926 BFGS: 646 17:08:38 -981.666845 3.529453 BFGS: 647 17:08:38 -979.956052 3.742130 BFGS: 648 17:08:38 -981.454759 3.894822 BFGS: 649 17:08:38 -980.217501 4.003902 BFGS: 650 17:08:39 -981.669554 3.524846 BFGS: 651 17:08:39 -979.968690 3.742553 BFGS: 652 17:08:39 -981.461137 3.892775 BFGS: 653 17:08:39 -980.230338 3.993258 BFGS: 654 17:08:39 -981.672238 3.520257 BFGS: 655 17:08:39 -979.981237 3.742992 BFGS: 656 17:08:40 -981.467466 3.890612 BFGS: 657 17:08:40 -980.242907 3.982968 BFGS: 658 17:08:40 -981.674906 3.515652 BFGS: 659 17:08:40 -979.993671 3.743443 BFGS: 660 17:08:41 -981.473737 3.888338 BFGS: 661 17:08:41 -980.255221 3.973018 BFGS: 662 17:08:41 -981.677565 3.511009 BFGS: 663 17:08:41 -980.005978 3.743904 BFGS: 664 17:08:41 -981.479945 3.885955 BFGS: 665 17:08:42 -980.267291 3.963396 BFGS: 666 17:08:42 -981.680218 3.506318 BFGS: 667 17:08:42 -980.018148 3.744371 BFGS: 668 17:08:42 -981.486084 3.883465 BFGS: 669 17:08:43 -980.279123 3.954094 BFGS: 670 17:08:43 -981.682865 3.501572 BFGS: 671 17:08:43 -980.030177 3.744844 BFGS: 672 17:08:43 -981.492153 3.880871 BFGS: 673 17:08:44 -980.290725 3.945105 BFGS: 674 17:08:44 -981.685508 3.496768 BFGS: 675 17:08:44 -980.042062 3.745320 BFGS: 676 17:08:44 -981.498152 3.878172 BFGS: 677 17:08:45 -980.302101 3.936421 BFGS: 678 17:08:45 -981.688147 3.491907 BFGS: 679 17:08:45 -980.053806 3.745800 BFGS: 680 17:08:45 -981.504082 3.875372 BFGS: 681 17:08:46 -980.313259 3.928033 BFGS: 682 17:08:46 -981.690781 3.486989 BFGS: 683 17:08:46 -980.065412 3.746284 BFGS: 684 17:08:46 -981.509944 3.872469 BFGS: 685 17:08:46 -980.324206 3.919932 BFGS: 686 17:08:47 -981.693410 3.482013 BFGS: 687 17:08:47 -980.076886 3.746772 BFGS: 688 17:08:47 -981.515740 3.869464 BFGS: 689 17:08:47 -980.334951 3.912106 BFGS: 690 17:08:48 -981.696035 3.476980 BFGS: 691 17:08:48 -980.088231 3.747266 BFGS: 692 17:08:48 -981.521474 3.866355 BFGS: 693 17:08:48 -980.345504 3.904543 BFGS: 694 17:08:48 -981.698656 3.471888 BFGS: 695 17:08:48 -980.099456 3.747768 BFGS: 696 17:08:49 -981.527148 3.863142 BFGS: 697 17:08:49 -980.355873 3.897230 BFGS: 698 17:08:49 -981.701274 3.466733 BFGS: 699 17:08:49 -980.110563 3.748279 BFGS: 700 17:08:49 -981.532764 3.859825 BFGS: 701 17:08:49 -980.366070 3.890155 BFGS: 702 17:08:50 -981.703890 3.461513 BFGS: 703 17:08:50 -980.121560 3.748802 BFGS: 704 17:08:50 -981.538325 3.856400 BFGS: 705 17:08:50 -980.376104 3.883305 BFGS: 706 17:08:50 -981.706504 3.456224 BFGS: 707 17:08:51 -980.132448 3.749339 BFGS: 708 17:08:51 -981.543833 3.852869 BFGS: 709 17:08:51 -980.385983 3.876670 BFGS: 710 17:08:51 -981.709119 3.450861 BFGS: 711 17:08:51 -980.143232 3.749891 BFGS: 712 17:08:52 -981.549289 3.849229 BFGS: 713 17:08:52 -980.395716 3.870238 BFGS: 714 17:08:52 -981.711734 3.445419 BFGS: 715 17:08:52 -980.153914 3.750458 BFGS: 716 17:08:52 -981.554695 3.845481 BFGS: 717 17:08:53 -980.405311 3.864004 BFGS: 718 17:08:53 -981.714351 3.439896 BFGS: 719 17:08:53 -980.164494 3.751043 BFGS: 720 17:08:54 -981.560051 3.841625 BFGS: 721 17:08:54 -980.414772 3.857958 BFGS: 722 17:08:54 -981.716971 3.434288 BFGS: 723 17:08:54 -980.174972 3.751643 BFGS: 724 17:08:54 -981.565358 3.837662 BFGS: 725 17:08:55 -980.424104 3.852098 BFGS: 726 17:08:55 -981.719593 3.428594 BFGS: 727 17:08:55 -980.185348 3.752260 BFGS: 728 17:08:55 -981.570615 3.833592 BFGS: 729 17:08:55 -980.433310 3.846419 BFGS: 730 17:08:55 -981.722217 3.422813 BFGS: 731 17:08:56 -980.195622 3.752893 BFGS: 732 17:08:56 -981.575823 3.829418 BFGS: 733 17:08:56 -980.442392 3.840918 BFGS: 734 17:08:56 -981.724843 3.416946 BFGS: 735 17:08:56 -980.207219 3.753472 BFGS: 736 17:08:57 -981.581601 3.824518 BFGS: 737 17:08:57 -980.450783 3.836093 BFGS: 738 17:08:57 -981.727110 3.412565 BFGS: 739 17:08:57 -980.220250 3.754199 BFGS: 740 17:08:57 -981.587937 3.818836 BFGS: 741 17:08:58 -980.458612 3.831859 BFGS: 742 17:08:58 -981.729072 3.409478 BFGS: 743 17:08:58 -980.233679 3.755144 BFGS: 744 17:08:58 -981.594385 3.812777 BFGS: 745 17:08:58 -980.466390 3.827782 BFGS: 746 17:08:58 -981.731029 3.406399 BFGS: 747 17:08:58 -980.247194 3.756172 BFGS: 748 17:08:59 -981.600854 3.806418 BFGS: 749 17:08:59 -980.474208 3.823769 BFGS: 750 17:08:59 -981.733037 3.403079 BFGS: 751 17:08:59 -980.260731 3.757231 BFGS: 752 17:09:00 -981.607326 3.799769 BFGS: 753 17:09:00 -980.482076 3.819807 BFGS: 754 17:09:00 -981.735106 3.399471 BFGS: 755 17:09:00 -980.274277 3.758309 BFGS: 756 17:09:01 -981.613794 3.792829 BFGS: 757 17:09:01 -980.489989 3.815901 BFGS: 758 17:09:01 -981.737236 3.395566 BFGS: 759 17:09:01 -980.287825 3.759404 BFGS: 760 17:09:01 -981.620256 3.785594 BFGS: 761 17:09:02 -980.497943 3.812060 BFGS: 762 17:09:02 -981.739427 3.391362 BFGS: 763 17:09:02 -980.301369 3.760517 BFGS: 764 17:09:02 -981.626709 3.778059 BFGS: 765 17:09:03 -980.505932 3.808290 BFGS: 766 17:09:03 -981.741677 3.386859 BFGS: 767 17:09:03 -980.314904 3.761648 BFGS: 768 17:09:03 -981.633151 3.770221 BFGS: 769 17:09:04 -980.513951 3.804598 BFGS: 770 17:09:04 -981.743986 3.382051 BFGS: 771 17:09:04 -980.328425 3.762799 BFGS: 772 17:09:04 -981.639577 3.762076 BFGS: 773 17:09:05 -980.521997 3.800989 BFGS: 774 17:09:05 -981.746355 3.376934 BFGS: 775 17:09:05 -980.341923 3.763970 BFGS: 776 17:09:05 -981.645985 3.753623 BFGS: 777 17:09:06 -980.530068 3.797465 BFGS: 778 17:09:06 -981.748783 3.371500 BFGS: 779 17:09:06 -980.355390 3.765163 BFGS: 780 17:09:07 -981.652371 3.744861 BFGS: 781 17:09:07 -980.538164 3.794030 BFGS: 782 17:09:07 -981.751270 3.365740 BFGS: 783 17:09:07 -980.368817 3.766377 BFGS: 784 17:09:07 -981.658731 3.735790 BFGS: 785 17:09:08 -980.546284 3.790684 BFGS: 786 17:09:08 -981.753819 3.359642 BFGS: 787 17:09:08 -980.382192 3.767614 BFGS: 788 17:09:08 -981.665060 3.726413 BFGS: 789 17:09:09 -980.554429 3.787429 BFGS: 790 17:09:09 -981.756430 3.353196 BFGS: 791 17:09:09 -980.395504 3.768875 BFGS: 792 17:09:10 -981.671354 3.716731 BFGS: 793 17:09:10 -980.562599 3.784266 BFGS: 794 17:09:10 -981.759102 3.346389 BFGS: 795 17:09:10 -980.408742 3.770159 BFGS: 796 17:09:11 -981.677608 3.706750 BFGS: 797 17:09:11 -980.570794 3.781194 BFGS: 798 17:09:11 -981.761838 3.339210 BFGS: 799 17:09:12 -980.421895 3.771468 BFGS: 800 17:09:12 -981.683818 3.696476 BFGS: 801 17:09:12 -980.579014 3.778216 BFGS: 802 17:09:12 -981.764637 3.331649 BFGS: 803 17:09:13 -980.434949 3.772801 BFGS: 804 17:09:13 -981.689979 3.685915 BFGS: 805 17:09:13 -980.587258 3.775333 BFGS: 806 17:09:13 -981.767499 3.323697 BFGS: 807 17:09:14 -980.447896 3.774158 BFGS: 808 17:09:14 -981.696088 3.675075 BFGS: 809 17:09:14 -980.595524 3.772546 BFGS: 810 17:09:15 -981.770423 3.315348 BFGS: 811 17:09:15 -980.460724 3.775539 BFGS: 812 17:09:15 -981.702139 3.663963 BFGS: 813 17:09:15 -980.603810 3.769860 BFGS: 814 17:09:16 -981.773408 3.306598 BFGS: 815 17:09:16 -980.473425 3.776942 BFGS: 816 17:09:16 -981.708131 3.652588 BFGS: 817 17:09:17 -980.612112 3.767276 BFGS: 818 17:09:17 -981.776451 3.297447 BFGS: 819 17:09:17 -980.485993 3.778367 BFGS: 820 17:09:17 -981.714061 3.640959 BFGS: 821 17:09:18 -980.620424 3.764801 BFGS: 822 17:09:18 -981.779550 3.287897 BFGS: 823 17:09:18 -980.498420 3.779813 BFGS: 824 17:09:18 -981.719926 3.629082 BFGS: 825 17:09:19 -980.628741 3.762438 BFGS: 826 17:09:19 -981.782702 3.277954 BFGS: 827 17:09:19 -980.510703 3.781279 BFGS: 828 17:09:19 -981.725726 3.616966 BFGS: 829 17:09:20 -980.637056 3.760193 BFGS: 830 17:09:20 -981.785901 3.267626 BFGS: 831 17:09:20 -980.522840 3.782763 BFGS: 832 17:09:20 -981.731458 3.604616 BFGS: 833 17:09:21 -980.645361 3.758071 BFGS: 834 17:09:21 -981.789145 3.256924 BFGS: 835 17:09:21 -980.534828 3.784265 BFGS: 836 17:09:21 -981.737124 3.592040 BFGS: 837 17:09:22 -980.653649 3.756077 BFGS: 838 17:09:22 -981.792429 3.245862 BFGS: 839 17:09:22 -980.546669 3.785783 BFGS: 840 17:09:23 -981.742722 3.579242 BFGS: 841 17:09:23 -980.661912 3.754217 BFGS: 842 17:09:23 -981.795747 3.234453 BFGS: 843 17:09:23 -980.558363 3.787316 BFGS: 844 17:09:24 -981.748253 3.566228 BFGS: 845 17:09:24 -980.670142 3.752496 BFGS: 846 17:09:24 -981.799096 3.222714 BFGS: 847 17:09:24 -980.569912 3.788863 BFGS: 848 17:09:24 -981.753719 3.553001 BFGS: 849 17:09:24 -980.678332 3.750917 BFGS: 850 17:09:25 -981.802471 3.210659 BFGS: 851 17:09:25 -980.581319 3.790423 BFGS: 852 17:09:25 -981.759119 3.539565 BFGS: 853 17:09:25 -980.686475 3.749483 BFGS: 854 17:09:26 -981.805867 3.198306 BFGS: 855 17:09:26 -980.592587 3.791994 BFGS: 856 17:09:26 -981.764455 3.525923 BFGS: 857 17:09:27 -980.694565 3.748198 BFGS: 858 17:09:27 -981.809281 3.185668 BFGS: 859 17:09:27 -980.603718 3.793575 BFGS: 860 17:09:27 -981.769727 3.512079 BFGS: 861 17:09:28 -980.702596 3.747062 BFGS: 862 17:09:28 -981.812707 3.172760 BFGS: 863 17:09:28 -980.614715 3.795166 BFGS: 864 17:09:28 -981.774937 3.498035 BFGS: 865 17:09:29 -980.710565 3.746077 BFGS: 866 17:09:29 -981.816145 3.159594 BFGS: 867 17:09:29 -980.625581 3.796766 BFGS: 868 17:09:29 -981.780085 3.483796 BFGS: 869 17:09:30 -980.718468 3.745242 BFGS: 870 17:09:30 -981.819589 3.146183 BFGS: 871 17:09:30 -980.636318 3.798375 BFGS: 872 17:09:30 -981.785172 3.469365 BFGS: 873 17:09:31 -980.726303 3.744556 BFGS: 874 17:09:31 -981.823039 3.132535 BFGS: 875 17:09:31 -980.646926 3.799991 BFGS: 876 17:09:31 -981.790199 3.454746 BFGS: 877 17:09:32 -980.734068 3.744017 BFGS: 878 17:09:32 -981.826491 3.118658 BFGS: 879 17:09:32 -980.657407 3.801614 BFGS: 880 17:09:32 -981.795165 3.439945 BFGS: 881 17:09:33 -980.741763 3.743623 BFGS: 882 17:09:33 -981.829945 3.104558 BFGS: 883 17:09:33 -980.667761 3.803244 BFGS: 884 17:09:33 -981.800071 3.424968 BFGS: 885 17:09:34 -980.749389 3.743370 BFGS: 886 17:09:34 -981.833398 3.090241 BFGS: 887 17:09:34 -980.677985 3.804881 BFGS: 888 17:09:35 -981.804917 3.409821 BFGS: 889 17:09:35 -980.756946 3.743255 BFGS: 890 17:09:35 -981.836850 3.075709 BFGS: 891 17:09:35 -980.688080 3.806523 BFGS: 892 17:09:36 -981.809702 3.394513 BFGS: 893 17:09:36 -980.764436 3.743274 BFGS: 894 17:09:36 -981.840299 3.060966 BFGS: 895 17:09:37 -980.698043 3.808172 BFGS: 896 17:09:37 -981.814426 3.379053 BFGS: 897 17:09:37 -980.771860 3.743422 BFGS: 898 17:09:37 -981.843745 3.046013 BFGS: 899 17:09:38 -980.707871 3.809825 BFGS: 900 17:09:38 -981.819089 3.363449 BFGS: 901 17:09:38 -980.779220 3.743695 BFGS: 902 17:09:38 -981.847187 3.030854 BFGS: 903 17:09:39 -980.717562 3.811483 BFGS: 904 17:09:39 -981.823689 3.347713 BFGS: 905 17:09:39 -980.786518 3.744090 BFGS: 906 17:09:40 -981.850624 3.015489 BFGS: 907 17:09:40 -980.727111 3.813145 BFGS: 908 17:09:40 -981.828227 3.331855 BFGS: 909 17:09:41 -980.793756 3.744600 BFGS: 910 17:09:41 -981.854055 2.999922 BFGS: 911 17:09:41 -980.736518 3.814811 BFGS: 912 17:09:41 -981.832701 3.315887 BFGS: 913 17:09:42 -980.800935 3.745223 BFGS: 914 17:09:42 -981.857479 2.984157 BFGS: 915 17:09:42 -980.745778 3.816478 BFGS: 916 17:09:43 -981.837111 3.299820 BFGS: 917 17:09:43 -980.808057 3.745953 BFGS: 918 17:09:43 -981.860895 2.968199 BFGS: 919 17:09:43 -980.754888 3.818147 BFGS: 920 17:09:44 -981.841457 3.283665 BFGS: 921 17:09:44 -980.815121 3.746788 BFGS: 922 17:09:44 -981.864302 2.952055 BFGS: 923 17:09:45 -980.763848 3.819817 BFGS: 924 17:09:45 -981.845739 3.267435 BFGS: 925 17:09:45 -980.822128 3.747722 BFGS: 926 17:09:45 -981.867698 2.935733 BFGS: 927 17:09:46 -980.772655 3.821487 BFGS: 928 17:09:46 -981.849955 3.251141 BFGS: 929 17:09:46 -980.829078 3.748754 BFGS: 930 17:09:47 -981.871081 2.919243 BFGS: 931 17:09:47 -980.781310 3.823155 BFGS: 932 17:09:47 -981.854107 3.234792 BFGS: 933 17:09:48 -980.835969 3.749879 BFGS: 934 17:09:48 -981.874450 2.902597 BFGS: 935 17:09:48 -980.789811 3.824821 BFGS: 936 17:09:48 -981.858195 3.218398 BFGS: 937 17:09:49 -980.842799 3.751094 BFGS: 938 17:09:49 -981.877803 2.885808 BFGS: 939 17:09:49 -980.798160 3.826483 BFGS: 940 17:09:50 -981.862219 3.201968 BFGS: 941 17:09:50 -980.849567 3.752397 BFGS: 942 17:09:50 -981.881137 2.868891 BFGS: 943 17:09:50 -980.806360 3.828142 BFGS: 944 17:09:50 -981.866180 3.185510 BFGS: 945 17:09:50 -980.856271 3.753784 BFGS: 946 17:09:50 -981.884450 2.851863 BFGS: 947 17:09:50 -980.814412 3.829795 BFGS: 948 17:09:51 -981.870079 3.169031 BFGS: 949 17:09:51 -980.862906 3.755253 BFGS: 950 17:09:51 -981.887741 2.834740 BFGS: 951 17:09:51 -980.822320 3.831442 BFGS: 952 17:09:51 -981.873917 3.152537 BFGS: 953 17:09:52 -980.869470 3.756802 BFGS: 954 17:09:52 -981.891007 2.817541 BFGS: 955 17:09:52 -980.830088 3.833081 BFGS: 956 17:09:53 -981.877695 3.136031 BFGS: 957 17:09:53 -980.875961 3.758429 BFGS: 958 17:09:53 -981.894245 2.800282 BFGS: 959 17:09:53 -980.837722 3.834712 BFGS: 960 17:09:54 -981.881415 3.119518 BFGS: 961 17:09:54 -980.882374 3.760130 BFGS: 962 17:09:54 -981.897455 2.782982 BFGS: 963 17:09:54 -980.845227 3.836335 BFGS: 964 17:09:55 -981.885079 3.103000 BFGS: 965 17:09:55 -980.888707 3.761904 BFGS: 966 17:09:55 -981.900635 2.765657 BFGS: 967 17:09:55 -980.852608 3.837947 BFGS: 968 17:09:56 -981.888687 3.086479 BFGS: 969 17:09:56 -980.894958 3.763749 BFGS: 970 17:09:56 -981.903782 2.748325 BFGS: 971 17:09:57 -980.859871 3.839549 BFGS: 972 17:09:57 -981.892242 3.069955 BFGS: 973 17:09:57 -980.901124 3.765661 BFGS: 974 17:09:58 -981.906896 2.731001 BFGS: 975 17:09:58 -980.867023 3.841139 BFGS: 976 17:09:58 -981.895745 3.053429 BFGS: 977 17:09:58 -980.907202 3.767640 BFGS: 978 17:09:59 -981.909975 2.713698 BFGS: 979 17:09:59 -980.874070 3.842717 BFGS: 980 17:09:59 -981.899199 3.036899 BFGS: 981 17:09:59 -980.913193 3.769683 BFGS: 982 17:09:59 -981.913019 2.696428 BFGS: 983 17:10:00 -980.881018 3.844282 BFGS: 984 17:10:00 -981.902604 3.020366 BFGS: 985 17:10:00 -980.919094 3.771786 BFGS: 986 17:10:00 -981.916028 2.679204 BFGS: 987 17:10:01 -980.887874 3.845835 BFGS: 988 17:10:01 -981.905963 3.003826 BFGS: 989 17:10:01 -980.924904 3.773949 BFGS: 990 17:10:01 -981.919000 2.662033 BFGS: 991 17:10:02 -980.894642 3.847375 BFGS: 992 17:10:02 -981.909277 2.987280 BFGS: 993 17:10:02 -980.930626 3.776167 BFGS: 994 17:10:02 -981.921936 2.644922 BFGS: 995 17:10:03 -980.901329 3.848902 BFGS: 996 17:10:03 -981.912548 2.970724 BFGS: 997 17:10:03 -980.936258 3.778440 BFGS: 998 17:10:03 -981.924837 2.627877 BFGS: 999 17:10:04 -980.907938 3.850416 BFGS: 1000 17:10:04 -981.915776 2.954159 BFGS: 1001 17:10:04 -980.941803 3.780764 BFGS: 1002 17:10:05 -981.927702 2.610899 BFGS: 1003 17:10:05 -980.914473 3.851918 BFGS: 1004 17:10:05 -981.918964 2.937583 BFGS: 1005 17:10:05 -980.947262 3.783136 BFGS: 1006 17:10:06 -981.930532 2.593989 BFGS: 1007 17:10:06 -980.920937 3.853408 BFGS: 1008 17:10:06 -981.922113 2.920995 BFGS: 1009 17:10:06 -980.952639 3.785554 BFGS: 1010 17:10:07 -981.933329 2.577147 BFGS: 1011 17:10:07 -980.927334 3.854886 BFGS: 1012 17:10:07 -981.925222 2.904397 BFGS: 1013 17:10:07 -980.957935 3.788015 BFGS: 1014 17:10:08 -981.936093 2.560370 BFGS: 1015 17:10:08 -980.933663 3.856353 BFGS: 1016 17:10:08 -981.928294 2.887789 BFGS: 1017 17:10:08 -980.963156 3.790516 BFGS: 1018 17:10:08 -981.938825 2.543653 BFGS: 1019 17:10:09 -980.939925 3.857810 BFGS: 1020 17:10:09 -981.931328 2.871173 BFGS: 1021 17:10:09 -980.968304 3.793054 BFGS: 1022 17:10:09 -981.941527 2.526991 BFGS: 1023 17:10:10 -980.946121 3.859256 BFGS: 1024 17:10:10 -981.934325 2.854554 BFGS: 1025 17:10:10 -980.973384 3.795627 BFGS: 1026 17:10:10 -981.944200 2.510378 BFGS: 1027 17:10:11 -980.952248 3.860693 BFGS: 1028 17:10:11 -981.937286 2.837936 BFGS: 1029 17:10:11 -980.978402 3.798231 BFGS: 1030 17:10:11 -981.946845 2.493806 BFGS: 1031 17:10:12 -980.958304 3.862120 BFGS: 1032 17:10:12 -981.940210 2.821324 BFGS: 1033 17:10:12 -980.983361 3.800864 BFGS: 1034 17:10:12 -981.949463 2.480627 BFGS: 1035 17:10:13 -980.964288 3.863539 BFGS: 1036 17:10:13 -981.943097 2.804725 BFGS: 1037 17:10:13 -980.988267 3.803522 BFGS: 1038 17:10:13 -981.952056 2.467959 BFGS: 1039 17:10:13 -980.970193 3.864950 BFGS: 1040 17:10:14 -981.945948 2.788149 BFGS: 1041 17:10:14 -980.993125 3.806203 BFGS: 1042 17:10:14 -981.954626 2.455283 BFGS: 1043 17:10:15 -980.976017 3.866353 BFGS: 1044 17:10:15 -981.948761 2.771603 BFGS: 1045 17:10:15 -980.997940 3.808903 BFGS: 1046 17:10:15 -981.957172 2.442597 BFGS: 1047 17:10:16 -980.981755 3.867749 BFGS: 1048 17:10:16 -981.951537 2.755099 BFGS: 1049 17:10:16 -981.002717 3.811618 BFGS: 1050 17:10:16 -981.959696 2.429899 BFGS: 1051 17:10:17 -980.987401 3.869138 BFGS: 1052 17:10:17 -981.954275 2.738649 BFGS: 1053 17:10:17 -981.007461 3.814345 BFGS: 1054 17:10:17 -981.962199 2.417188 BFGS: 1055 17:10:18 -980.992950 3.870520 BFGS: 1056 17:10:18 -981.956974 2.722263 BFGS: 1057 17:10:18 -981.012175 3.817081 BFGS: 1058 17:10:19 -981.964681 2.404464 BFGS: 1059 17:10:19 -980.998397 3.871897 BFGS: 1060 17:10:19 -981.959634 2.705956 BFGS: 1061 17:10:20 -981.019688 3.821119 BFGS: 1062 17:10:20 -981.967956 2.385783 BFGS: 1063 17:10:20 -981.002155 3.872864 BFGS: 1064 17:10:21 -981.962256 2.689702 BFGS: 1065 17:10:21 -981.046257 3.834745 BFGS: 1066 17:10:21 -981.976537 2.326248 BFGS: 1067 17:10:21 -981.086777 3.888999 BFGS: 1068 17:10:22 -981.984718 2.487174 BFGS: 1069 17:10:22 -981.398421 4.069179 BFGS: 1070 17:10:22 -982.048768 1.516290 BFGS: 1071 17:10:23 -982.039002 1.764989 BFGS: 1072 17:10:23 -982.069070 1.245923 BFGS: 1073 17:10:23 -982.069393 1.253810 BFGS: 1074 17:10:24 -982.073955 1.318274 BFGS: 1075 17:10:24 -982.079124 1.337376 BFGS: 1076 17:10:24 -982.084850 1.311174 BFGS: 1077 17:10:25 -982.090982 1.265005 BFGS: 1078 17:10:25 -982.097361 1.205999 BFGS: 1079 17:10:25 -982.103846 1.140340 BFGS: 1080 17:10:26 -982.110344 1.070315 BFGS: 1081 17:10:26 -982.116800 0.998037 BFGS: 1082 17:10:26 -982.123184 0.924433 BFGS: 1083 17:10:26 -982.129480 0.850323 BFGS: 1084 17:10:27 -982.135684 0.776111 BFGS: 1085 17:10:27 -982.141784 0.705055 BFGS: 1086 17:10:27 -982.147808 0.628036 BFGS: 1087 17:10:28 -982.153737 0.556006 BFGS: 1088 17:10:28 -982.159580 0.496823 BFGS: 1089 17:10:28 -982.165341 0.442566 BFGS: 1090 17:10:29 -982.171024 0.390363 BFGS: 1091 17:10:29 -982.176631 0.340920 BFGS: 1092 17:10:29 -982.182166 0.294827 BFGS: 1093 17:10:29 -982.187629 0.253283 BFGS: 1094 17:10:30 -982.193022 0.241923 BFGS: 1095 17:10:30 -982.198346 0.244720 BFGS: 1096 17:10:30 -982.203600 0.248290 BFGS: 1097 17:10:30 -982.208783 0.252502 BFGS: 1098 17:10:31 -982.213894 0.257294 BFGS: 1099 17:10:31 -982.218932 0.262568 BFGS: 1100 17:10:31 -982.223894 0.306126 BFGS: 1101 17:10:31 -982.228777 0.362637 BFGS: 1102 17:10:32 -982.233578 0.417619 BFGS: 1103 17:10:32 -982.238295 0.470988 BFGS: 1104 17:10:32 -982.242921 0.522689 BFGS: 1105 17:10:33 -982.247454 0.572663 BFGS: 1106 17:10:33 -982.251888 0.620863 BFGS: 1107 17:10:33 -982.256218 0.667238 BFGS: 1108 17:10:34 -982.260419 0.719559 BFGS: 1109 17:10:34 -982.264431 0.755170 BFGS: 1110 17:10:34 -982.268317 0.798666 BFGS: 1111 17:10:34 -982.272074 0.836795 BFGS: 1112 17:10:35 -982.275695 0.874467 BFGS: 1113 17:10:35 -982.279177 0.909084 BFGS: 1114 17:10:35 -982.282511 0.942058 BFGS: 1115 17:10:35 -982.285691 0.972600 BFGS: 1116 17:10:36 -982.288710 1.001112 BFGS: 1117 17:10:36 -982.291562 1.027303 BFGS: 1118 17:10:36 -982.294241 1.051261 BFGS: 1119 17:10:37 -982.296740 1.072828 BFGS: 1120 17:10:37 -982.299057 1.091970 BFGS: 1121 17:10:37 -982.301189 1.108544 BFGS: 1122 17:10:37 -982.303134 1.122425 BFGS: 1123 17:10:37 -982.304895 1.133407 BFGS: 1124 17:10:38 -982.306479 1.141225 BFGS: 1125 17:10:38 -982.307902 1.145478 BFGS: 1126 17:10:38 -982.309191 1.145555 BFGS: 1127 17:10:39 -982.310402 1.140440 BFGS: 1128 17:10:39 -982.311636 1.128315 BFGS: 1129 17:10:39 -982.313065 1.105532 BFGS: 1130 17:10:39 -982.315432 1.050612 BFGS: 1131 17:10:40 -982.318887 0.979814 BFGS: 1132 17:10:40 -982.323486 0.894813 BFGS: 1133 17:10:40 -982.327727 0.847171 BFGS: 1134 17:10:40 -982.331521 0.828708 BFGS: 1135 17:10:41 -982.336173 0.825336 BFGS: 1136 17:10:41 -982.341684 0.843951 BFGS: 1137 17:10:41 -982.348134 0.884794 BFGS: 1138 17:10:41 -982.355042 0.939742 BFGS: 1139 17:10:42 -982.360156 0.982591 BFGS: 1140 17:10:42 -982.364765 1.020994 BFGS: 1141 17:10:42 -982.369170 1.056849 BFGS: 1142 17:10:42 -982.373482 1.090958 BFGS: 1143 17:10:42 -982.377754 1.123671 BFGS: 1144 17:10:43 -982.382013 1.155196 BFGS: 1145 17:10:43 -982.386273 1.185650 BFGS: 1146 17:10:43 -982.390541 1.215115 BFGS: 1147 17:10:43 -982.394821 1.243653 BFGS: 1148 17:10:44 -982.399113 1.271310 BFGS: 1149 17:10:44 -982.403417 1.298127 BFGS: 1150 17:10:44 -982.407729 1.324142 BFGS: 1151 17:10:44 -982.412046 1.349385 BFGS: 1152 17:10:45 -982.416364 1.373888 BFGS: 1153 17:10:45 -982.420679 1.397679 BFGS: 1154 17:10:45 -982.424986 1.420783 BFGS: 1155 17:10:46 -982.429280 1.443226 BFGS: 1156 17:10:46 -982.433557 1.465030 BFGS: 1157 17:10:46 -982.437812 1.486218 BFGS: 1158 17:10:47 -982.442039 1.506811 BFGS: 1159 17:10:47 -982.446234 1.526826 BFGS: 1160 17:10:47 -982.450392 1.546283 BFGS: 1161 17:10:47 -982.454507 1.565198 BFGS: 1162 17:10:48 -982.458576 1.583586 BFGS: 1163 17:10:48 -982.462594 1.601462 BFGS: 1164 17:10:48 -982.466556 1.618841 BFGS: 1165 17:10:48 -982.470458 1.635733 BFGS: 1166 17:10:49 -982.474295 1.652150 BFGS: 1167 17:10:49 -982.478064 1.668102 BFGS: 1168 17:10:49 -982.481760 1.683599 BFGS: 1169 17:10:49 -982.485380 1.698650 BFGS: 1170 17:10:50 -982.488919 1.713260 BFGS: 1171 17:10:50 -982.492376 1.727437 BFGS: 1172 17:10:50 -982.495745 1.741185 BFGS: 1173 17:10:51 -982.499024 1.754510 BFGS: 1174 17:10:51 -982.502211 1.767414 BFGS: 1175 17:10:51 -982.505302 1.779899 BFGS: 1176 17:10:51 -982.508295 1.791968 BFGS: 1177 17:10:51 -982.511188 1.803619 BFGS: 1178 17:10:52 -982.513979 1.814851 BFGS: 1179 17:10:52 -982.516666 1.825663 BFGS: 1180 17:10:52 -982.519248 1.836051 BFGS: 1181 17:10:52 -982.521724 1.846009 BFGS: 1182 17:10:52 -982.524094 1.855531 BFGS: 1183 17:10:52 -982.526359 1.864609 BFGS: 1184 17:10:52 -982.528517 1.873233 BFGS: 1185 17:10:52 -982.530572 1.881390 BFGS: 1186 17:10:52 -982.532525 1.889066 BFGS: 1187 17:10:53 -982.534378 1.896245 BFGS: 1188 17:10:53 -982.536136 1.902908 BFGS: 1189 17:10:53 -982.537805 1.909031 BFGS: 1190 17:10:53 -982.539390 1.914591 BFGS: 1191 17:10:53 -982.540899 1.919558 BFGS: 1192 17:10:54 -982.542343 1.923901 BFGS: 1193 17:10:54 -982.543733 1.927588 BFGS: 1194 17:10:54 -982.545084 1.930584 BFGS: 1195 17:10:54 -982.546412 1.932853 BFGS: 1196 17:10:55 -982.547734 1.934364 BFGS: 1197 17:10:55 -982.549072 1.935090 BFGS: 1198 17:10:55 -982.550447 1.935011 BFGS: 1199 17:10:56 -982.551879 1.934119 BFGS: 1200 17:10:56 -982.553392 1.932419 BFGS: 1201 17:10:56 -982.555004 1.929929 BFGS: 1202 17:10:56 -982.556733 1.926678 BFGS: 1203 17:10:56 -982.558595 1.922707 BFGS: 1204 17:10:57 -982.560601 1.918065 BFGS: 1205 17:10:57 -982.562761 1.912804 BFGS: 1206 17:10:57 -982.565081 1.906982 BFGS: 1207 17:10:57 -982.567566 1.900653 BFGS: 1208 17:10:57 -982.570217 1.893873 BFGS: 1209 17:10:58 -982.573035 1.886693 BFGS: 1210 17:10:58 -982.576018 1.879162 BFGS: 1211 17:10:58 -982.579165 1.871324 BFGS: 1212 17:10:58 -982.582473 1.863220 BFGS: 1213 17:10:58 -982.585936 1.854885 BFGS: 1214 17:10:58 -982.589553 1.846354 BFGS: 1215 17:10:59 -982.593317 1.837654 BFGS: 1216 17:10:59 -982.597225 1.828810 BFGS: 1217 17:10:59 -982.601272 1.819846 BFGS: 1218 17:10:59 -982.605452 1.810780 BFGS: 1219 17:11:00 -982.609763 1.801630 BFGS: 1220 17:11:00 -982.614198 1.792410 BFGS: 1221 17:11:00 -982.618754 1.783134 BFGS: 1222 17:11:00 -982.623426 1.773813 BFGS: 1223 17:11:01 -982.628210 1.764456 BFGS: 1224 17:11:01 -982.633102 1.755072 BFGS: 1225 17:11:01 -982.638098 1.745668 BFGS: 1226 17:11:01 -982.643193 1.736250 BFGS: 1227 17:11:02 -982.648386 1.726824 BFGS: 1228 17:11:02 -982.653671 1.717394 BFGS: 1229 17:11:02 -982.659045 1.707964 BFGS: 1230 17:11:03 -982.664505 1.698538 BFGS: 1231 17:11:03 -982.670047 1.689117 BFGS: 1232 17:11:03 -982.675669 1.679706 BFGS: 1233 17:11:03 -982.681367 1.670305 BFGS: 1234 17:11:04 -982.687138 1.660916 BFGS: 1235 17:11:04 -982.692980 1.651542 BFGS: 1236 17:11:04 -982.698888 1.642182 BFGS: 1237 17:11:05 -982.704861 1.632839 BFGS: 1238 17:11:05 -982.710896 1.623513 BFGS: 1239 17:11:05 -982.716989 1.614204 BFGS: 1240 17:11:05 -982.723138 1.604913 BFGS: 1241 17:11:06 -982.729341 1.595642 BFGS: 1242 17:11:06 -982.735594 1.586389 BFGS: 1243 17:11:06 -982.741896 1.577156 BFGS: 1244 17:11:06 -982.748243 1.567942 BFGS: 1245 17:11:07 -982.754633 1.558749 BFGS: 1246 17:11:07 -982.761064 1.549575 BFGS: 1247 17:11:07 -982.767534 1.540422 BFGS: 1248 17:11:07 -982.774039 1.531289 BFGS: 1249 17:11:08 -982.780577 1.522176 BFGS: 1250 17:11:08 -982.787146 1.513083 BFGS: 1251 17:11:08 -982.793745 1.504011 BFGS: 1252 17:11:08 -982.800369 1.494960 BFGS: 1253 17:11:09 -982.807018 1.485928 BFGS: 1254 17:11:09 -982.813690 1.476917 BFGS: 1255 17:11:09 -982.820381 1.467927 BFGS: 1256 17:11:09 -982.827089 1.458957 BFGS: 1257 17:11:09 -982.833814 1.450007 BFGS: 1258 17:11:10 -982.840552 1.441077 BFGS: 1259 17:11:10 -982.847301 1.432168 BFGS: 1260 17:11:10 -982.854060 1.423279 BFGS: 1261 17:11:10 -982.860827 1.414410 BFGS: 1262 17:11:11 -982.867599 1.405561 BFGS: 1263 17:11:11 -982.874376 1.396732 BFGS: 1264 17:11:11 -982.881154 1.387923 BFGS: 1265 17:11:11 -982.887932 1.379134 BFGS: 1266 17:11:12 -982.894709 1.370364 BFGS: 1267 17:11:12 -982.901483 1.361615 BFGS: 1268 17:11:12 -982.908252 1.352885 BFGS: 1269 17:11:12 -982.915014 1.344174 BFGS: 1270 17:11:13 -982.921768 1.335483 BFGS: 1271 17:11:13 -982.928512 1.326810 BFGS: 1272 17:11:13 -982.935246 1.318157 BFGS: 1273 17:11:13 -982.941966 1.309524 BFGS: 1274 17:11:14 -982.948672 1.300908 BFGS: 1275 17:11:14 -982.955363 1.292312 BFGS: 1276 17:11:14 -982.962037 1.283734 BFGS: 1277 17:11:14 -982.968693 1.275175 BFGS: 1278 17:11:15 -982.975330 1.266634 BFGS: 1279 17:11:15 -982.981946 1.258111 BFGS: 1280 17:11:15 -982.988540 1.249606 BFGS: 1281 17:11:15 -982.995111 1.241119 BFGS: 1282 17:11:16 -983.001657 1.232650 BFGS: 1283 17:11:16 -983.008179 1.224198 BFGS: 1284 17:11:16 -983.014674 1.215763 BFGS: 1285 17:11:16 -983.021143 1.207345 BFGS: 1286 17:11:17 -983.027582 1.198944 BFGS: 1287 17:11:17 -983.033993 1.190560 BFGS: 1288 17:11:17 -983.040374 1.182192 BFGS: 1289 17:11:17 -983.046724 1.173841 BFGS: 1290 17:11:18 -983.053042 1.165505 BFGS: 1291 17:11:18 -983.059327 1.157186 BFGS: 1292 17:11:18 -983.065579 1.148882 BFGS: 1293 17:11:18 -983.071797 1.140593 BFGS: 1294 17:11:18 -983.077980 1.132320 BFGS: 1295 17:11:19 -983.084127 1.124061 BFGS: 1296 17:11:19 -983.090238 1.115818 BFGS: 1297 17:11:19 -983.096313 1.107589 BFGS: 1298 17:11:19 -983.102349 1.099374 BFGS: 1299 17:11:19 -983.108348 1.091173 BFGS: 1300 17:11:19 -983.114309 1.082986 BFGS: 1301 17:11:19 -983.120230 1.074813 BFGS: 1302 17:11:20 -983.126111 1.066653 BFGS: 1303 17:11:20 -983.131952 1.058506 BFGS: 1304 17:11:20 -983.137753 1.050372 BFGS: 1305 17:11:20 -983.143513 1.042250 BFGS: 1306 17:11:20 -983.149231 1.034142 BFGS: 1307 17:11:21 -983.154907 1.026045 BFGS: 1308 17:11:21 -983.160541 1.017960 BFGS: 1309 17:11:21 -983.166132 1.009887 BFGS: 1310 17:11:21 -983.171681 1.001825 BFGS: 1311 17:11:21 -983.177186 0.993775 BFGS: 1312 17:11:22 -983.182647 0.985736 BFGS: 1313 17:11:22 -983.188065 0.977707 BFGS: 1314 17:11:22 -983.193438 0.969689 BFGS: 1315 17:11:23 -983.198767 0.961681 BFGS: 1316 17:11:23 -983.204051 0.953684 BFGS: 1317 17:11:23 -983.209290 0.945696 BFGS: 1318 17:11:23 -983.214484 0.937718 BFGS: 1319 17:11:24 -983.219633 0.929749 BFGS: 1320 17:11:24 -983.224736 0.921789 BFGS: 1321 17:11:24 -983.229793 0.913839 BFGS: 1322 17:11:24 -983.234804 0.905897 BFGS: 1323 17:11:24 -983.239770 0.897963 BFGS: 1324 17:11:24 -983.244689 0.890038 BFGS: 1325 17:11:25 -983.249562 0.882121 BFGS: 1326 17:11:25 -983.254388 0.874211 BFGS: 1327 17:11:25 -983.259168 0.866310 BFGS: 1328 17:11:26 -983.263902 0.858415 BFGS: 1329 17:11:26 -983.268588 0.850528 BFGS: 1330 17:11:26 -983.273228 0.842648 BFGS: 1331 17:11:26 -983.277821 0.834775 BFGS: 1332 17:11:26 -983.282367 0.826908 BFGS: 1333 17:11:27 -983.286867 0.819048 BFGS: 1334 17:11:27 -983.291319 0.811193 BFGS: 1335 17:11:27 -983.295724 0.803345 BFGS: 1336 17:11:27 -983.300083 0.795503 BFGS: 1337 17:11:28 -983.304394 0.787666 BFGS: 1338 17:11:28 -983.308658 0.779834 BFGS: 1339 17:11:28 -983.312876 0.772008 BFGS: 1340 17:11:28 -983.317046 0.764186 BFGS: 1341 17:11:29 -983.321170 0.756370 BFGS: 1342 17:11:29 -983.325247 0.748557 BFGS: 1343 17:11:29 -983.329277 0.740750 BFGS: 1344 17:11:30 -983.333260 0.732946 BFGS: 1345 17:11:30 -983.337197 0.725147 BFGS: 1346 17:11:30 -983.341087 0.717352 BFGS: 1347 17:11:31 -983.344931 0.709560 BFGS: 1348 17:11:31 -983.348728 0.701772 BFGS: 1349 17:11:31 -983.352479 0.693987 BFGS: 1350 17:11:31 -983.356184 0.686205 BFGS: 1351 17:11:32 -983.359842 0.678426 BFGS: 1352 17:11:32 -983.363455 0.670651 BFGS: 1353 17:11:32 -983.367022 0.662878 BFGS: 1354 17:11:33 -983.370544 0.655107 BFGS: 1355 17:11:33 -983.374020 0.647339 BFGS: 1356 17:11:33 -983.377451 0.639573 BFGS: 1357 17:11:33 -983.380837 0.631809 BFGS: 1358 17:11:34 -983.384178 0.624047 BFGS: 1359 17:11:34 -983.387474 0.616287 BFGS: 1360 17:11:35 -983.390726 0.608528 BFGS: 1361 17:11:35 -983.393934 0.600771 BFGS: 1362 17:11:35 -983.397098 0.593015 BFGS: 1363 17:11:36 -983.400218 0.585261 BFGS: 1364 17:11:36 -983.403294 0.577507 BFGS: 1365 17:11:36 -983.406328 0.569755 BFGS: 1366 17:11:36 -983.409318 0.562003 BFGS: 1367 17:11:37 -983.412266 0.554252 BFGS: 1368 17:11:37 -983.415172 0.546502 BFGS: 1369 17:11:37 -983.418035 0.538752 BFGS: 1370 17:11:37 -983.420857 0.531002 BFGS: 1371 17:11:37 -983.423638 0.523253 BFGS: 1372 17:11:37 -983.426378 0.515504 BFGS: 1373 17:11:38 -983.429077 0.507755 BFGS: 1374 17:11:38 -983.431736 0.500005 BFGS: 1375 17:11:38 -983.434356 0.492256 BFGS: 1376 17:11:38 -983.436936 0.484506 BFGS: 1377 17:11:38 -983.439477 0.476757 BFGS: 1378 17:11:39 -983.441980 0.469006 BFGS: 1379 17:11:39 -983.444445 0.461255 BFGS: 1380 17:11:39 -983.446873 0.453503 BFGS: 1381 17:11:40 -983.449264 0.445753 BFGS: 1382 17:11:40 -983.451619 0.437997 BFGS: 1383 17:11:40 -983.453938 0.430249 BFGS: 1384 17:11:40 -983.456222 0.422484 BFGS: 1385 17:11:40 -983.458471 0.414747 BFGS: 1386 17:11:40 -983.460687 0.406960 BFGS: 1387 17:11:41 -983.462868 0.399259 BFGS: 1388 17:11:41 -983.465020 0.391401 BFGS: 1389 17:11:41 -983.467135 0.383824 BFGS: 1390 17:11:42 -983.469228 0.375731 BFGS: 1391 17:11:42 -983.471273 0.368583 BFGS: 1392 17:11:42 -983.473320 0.359673 BFGS: 1393 17:11:42 -983.475284 0.353988 BFGS: 1394 17:11:42 -983.477317 0.342378 BFGS: 1395 17:11:43 -983.479166 0.340295 BFGS: 1396 17:11:43 -983.481192 0.325437 BFGS: 1397 17:11:43 -983.482994 0.323028 BFGS: 1398 17:11:43 -983.484904 0.312058 BFGS: 1399 17:11:44 -983.486710 0.306270 BFGS: 1400 17:11:44 -983.488537 0.297644 BFGS: 1401 17:11:44 -983.490320 0.290577 BFGS: 1402 17:11:44 -983.492096 0.282635 BFGS: 1403 17:11:44 -983.493847 0.275174 BFGS: 1404 17:11:45 -983.495585 0.267427 BFGS: 1405 17:11:45 -983.497305 0.259836 BFGS: 1406 17:11:45 -983.499011 0.252143 BFGS: 1407 17:11:45 -983.500704 0.244502 BFGS: 1408 17:11:45 -983.502386 0.236820 BFGS: 1409 17:11:45 -983.504056 0.229156 BFGS: 1410 17:11:45 -983.505719 0.221473 BFGS: 1411 17:11:46 -983.507373 0.213795 BFGS: 1412 17:11:46 -983.509023 0.206107 BFGS: 1413 17:11:46 -983.510668 0.198421 BFGS: 1414 17:11:47 -983.512303 0.190731 BFGS: 1415 17:11:47 -983.513977 0.180693 BFGS: 1416 17:11:47 -983.515601 0.175234 BFGS: 1417 17:11:47 -983.517260 0.166371 BFGS: 1418 17:11:48 -983.518898 0.163110 BFGS: 1419 17:11:48 -983.520556 0.160626 BFGS: 1420 17:11:48 -983.522212 0.158811 BFGS: 1421 17:11:48 -983.523883 0.156498 BFGS: 1422 17:11:49 -983.525561 0.156602 BFGS: 1423 17:11:49 -983.527256 0.158908 BFGS: 1424 17:11:49 -983.528965 0.161049 BFGS: 1425 17:11:50 -983.530693 0.163276 BFGS: 1426 17:11:50 -983.532440 0.165394 BFGS: 1427 17:11:50 -983.534211 0.167548 BFGS: 1428 17:11:50 -983.536005 0.169623 BFGS: 1429 17:11:51 -983.537826 0.171704 BFGS: 1430 17:11:51 -983.539675 0.173722 BFGS: 1431 17:11:51 -983.541554 0.175729 BFGS: 1432 17:11:52 -983.543466 0.177678 BFGS: 1433 17:11:52 -983.545413 0.179606 BFGS: 1434 17:11:52 -983.547396 0.181480 BFGS: 1435 17:11:52 -983.549418 0.183325 BFGS: 1436 17:11:52 -983.551481 0.185116 BFGS: 1437 17:11:53 -983.553586 0.186871 BFGS: 1438 17:11:53 -983.555736 0.188573 BFGS: 1439 17:11:53 -983.557934 0.190234 BFGS: 1440 17:11:54 -983.560179 0.191840 BFGS: 1441 17:11:54 -983.562477 0.193401 BFGS: 1442 17:11:54 -983.564827 0.194903 BFGS: 1443 17:11:54 -983.567232 0.196357 BFGS: 1444 17:11:55 -983.569695 0.197750 BFGS: 1445 17:11:55 -983.572218 0.199091 BFGS: 1446 17:11:55 -983.574802 0.200366 BFGS: 1447 17:11:55 -983.577450 0.201585 BFGS: 1448 17:11:56 -983.580165 0.202734 BFGS: 1449 17:11:56 -983.582949 0.203823 BFGS: 1450 17:11:56 -983.585803 0.204837 BFGS: 1451 17:11:57 -983.588732 0.205787 BFGS: 1452 17:11:57 -983.591736 0.206655 BFGS: 1453 17:11:57 -983.594819 0.207454 BFGS: 1454 17:11:57 -983.597984 0.208165 BFGS: 1455 17:11:58 -983.601233 0.208801 BFGS: 1456 17:11:58 -983.604569 0.209339 BFGS: 1457 17:11:58 -983.607996 0.209798 BFGS: 1458 17:11:58 -983.611516 0.210147 BFGS: 1459 17:11:59 -983.615133 0.210412 BFGS: 1460 17:11:59 -983.618851 0.210550 BFGS: 1461 17:11:59 -983.622674 0.210601 BFGS: 1462 17:11:59 -983.626605 0.210503 BFGS: 1463 17:12:00 -983.630651 0.210316 BFGS: 1464 17:12:00 -983.634813 0.209947 BFGS: 1465 17:12:00 -983.639101 0.209495 BFGS: 1466 17:12:00 -983.643516 0.208807 BFGS: 1467 17:12:00 -983.648070 0.208324 BFGS: 1468 17:12:01 -983.652762 0.215201 BFGS: 1469 17:12:01 -983.657614 0.222265 BFGS: 1470 17:12:01 -983.662614 0.228949 BFGS: 1471 17:12:02 -983.667803 0.236045 BFGS: 1472 17:12:02 -983.673150 0.242389 BFGS: 1473 17:12:02 -983.678737 0.249676 BFGS: 1474 17:12:02 -983.684475 0.255326 BFGS: 1475 17:12:03 -983.690559 0.263277 BFGS: 1476 17:12:03 -983.696736 0.267296 BFGS: 1477 17:12:03 -983.703520 0.277431 BFGS: 1478 17:12:04 -983.709938 0.277137 BFGS: 1479 17:12:04 -983.715909 0.290032 BFGS: 1480 17:12:04 -983.721518 0.281584 BFGS: 1481 17:12:04 -983.726744 0.298700 BFGS: 1482 17:12:05 -983.731685 0.284557 BFGS: 1483 17:12:05 -983.736313 0.297674 BFGS: 1484 17:12:05 -983.740711 0.287313 BFGS: 1485 17:12:06 -983.744878 0.291216 BFGS: 1486 17:12:06 -983.748865 0.283678 BFGS: 1487 17:12:06 -983.752684 0.281194 BFGS: 1488 17:12:06 -983.756364 0.273180 BFGS: 1489 17:12:07 -983.759920 0.266186 BFGS: 1490 17:12:07 -983.763370 0.255920 BFGS: 1491 17:12:07 -983.766724 0.244911 BFGS: 1492 17:12:07 -983.769798 0.232199 BFGS: 1493 17:12:08 -983.772346 0.220343 BFGS: 1494 17:12:08 -983.774537 0.208678 BFGS: 1495 17:12:08 -983.776465 0.197454 BFGS: 1496 17:12:09 -983.778195 0.186468 BFGS: 1497 17:12:09 -983.779767 0.175769 BFGS: 1498 17:12:09 -983.781209 0.165285 BFGS: 1499 17:12:09 -983.782541 0.155019 BFGS: 1500 17:12:10 -983.783777 0.144942 BFGS: 1501 17:12:10 -983.784912 0.135044 BFGS: 1502 17:12:10 -983.785997 0.123672 BFGS: 1503 17:12:11 -983.786984 0.115543 BFGS: 1504 17:12:11 -983.787906 0.105543 BFGS: 1505 17:12:11 -983.788754 0.096169 BFGS: 1506 17:12:12 -983.789536 0.086673 BFGS: 1507 17:12:12 -983.790252 0.077420 BFGS: 1508 17:12:13 -983.790905 0.068297 BFGS: 1509 17:12:13 -983.791494 0.059365 BFGS: 1510 17:12:14 -983.792020 0.052420 BFGS: 1511 17:12:14 -983.792485 0.045993 BFGS: 1512 17:12:15 -983.792889 0.039737 BFGS: 1513 17:12:15 -983.793231 0.033693 BFGS: 1514 17:12:15 -983.793512 0.027927 BFGS: 1515 17:12:16 -983.793733 0.022554 BFGS: 1516 17:12:16 -983.793893 0.017783 BFGS: 1517 17:12:16 -983.793994 0.013965 BFGS: 1518 17:12:16 -983.794038 0.011868 BFGS: 1519 17:12:17 -983.794063 0.010808 BFGS: 1520 17:12:17 -983.794127 0.006983 BFGS: 1521 17:12:17 -983.794163 0.004447 BFGS: 1522 17:12:18 -983.794183 0.003811 BFGS: 1523 17:12:18 -983.794194 0.003772 BFGS: 1524 17:12:18 -983.794206 0.003065 BFGS: 1525 17:12:18 -983.794213 0.001509 BFGS: 1526 17:12:19 -983.794215 0.000315 BFGS: 1527 17:12:19 -983.794215 0.000268 BFGS: 1528 17:12:19 -983.794215 0.000181 BFGS: 1529 17:12:20 -983.794215 0.000156 BFGS: 1530 17:12:20 -983.794215 0.000082 BFGS: 1531 17:12:20 -983.794215 0.000068 BFGS: 1532 17:12:21 -983.794215 0.000072 BFGS: 1533 17:12:21 -983.794215 0.000084 BFGS: 1534 17:12:21 -983.794215 0.000091 BFGS: 1535 17:12:22 -983.794215 0.000073 BFGS: 1536 17:12:22 -983.794215 0.000038 BFGS: 1537 17:12:22 -983.794215 0.000013 BFGS: 1538 17:12:23 -983.794215 0.000008 BFGS: 1539 17:12:23 -983.794215 0.000009 BFGS: 1540 17:12:23 -983.794215 0.000006 BFGS: 1541 17:12:23 -983.794215 0.000002 BFGS: 1542 17:12:24 -983.794215 0.000001 BFGS: 1543 17:12:24 -983.794215 0.000001 BFGS: 1544 17:12:24 -983.794215 0.000000 BFGS: 1545 17:12:25 -983.794215 0.000000 BFGS: 1546 17:12:25 -983.794215 0.000000 BFGS: 1547 17:12:25 -983.794215 0.000000 BFGS: 1548 17:12:26 -983.794215 0.000000 BFGS: 1549 17:12:26 -983.794215 0.000000 BFGS: 1550 17:12:27 -983.794215 0.000000 BFGS: 1551 17:12:27 -983.794215 0.000000 BFGS: 1552 17:12:28 -983.794215 0.000000 BFGS: 1553 17:12:28 -983.794215 0.000000 BFGS: 1554 17:12:29 -983.794215 0.000000 BFGS: 1555 17:12:29 -983.794215 0.000000 BFGS: 1556 17:12:30 -983.794215 0.000000 BFGS: 1557 17:12:30 -983.794215 0.000000 BFGS: 1558 17:12:30 -983.794215 0.000000 BFGS: 1559 17:12:30 -983.794215 0.000000 Minimization converged after 1559 steps. Maximum force component: 8.89257383141968e-09 eV/Angstrom Maximum stress component: 1.4305616851639312e-10 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'] basis = [[6.14477844e-32 5.91132083e-01 9.04918650e-02] [0.00000000e+00 4.08867917e-01 9.04918650e-02] [3.17667957e-33 5.91132083e-01 9.09508135e-01] [0.00000000e+00 4.08867917e-01 9.09508135e-01] [5.00000000e-01 9.11320827e-02 5.90491865e-01] [5.00000000e-01 9.08867917e-01 5.90491865e-01] [5.00000000e-01 9.11320827e-02 4.09508135e-01] [5.00000000e-01 9.08867917e-01 4.09508135e-01] [7.53509989e-01 9.20935100e-01 1.94349764e-16] [2.46490011e-01 7.90648996e-02 1.94349764e-16] [2.46490011e-01 9.20935100e-01 1.94349764e-16] [7.53509989e-01 7.90648996e-02 1.94349764e-16] [2.53509989e-01 4.20935100e-01 5.00000000e-01] [7.46490011e-01 5.79064900e-01 5.00000000e-01] [7.46490011e-01 4.20935100e-01 5.00000000e-01] [2.53509989e-01 5.79064900e-01 5.00000000e-01] [9.41186516e-01 0.00000000e+00 4.09610065e-01] [5.88134843e-02 0.00000000e+00 4.09610065e-01] [5.88134843e-02 0.00000000e+00 5.90389935e-01] [9.41186516e-01 0.00000000e+00 5.90389935e-01] [4.41186516e-01 5.00000000e-01 9.09610065e-01] [5.58813484e-01 5.00000000e-01 9.09610065e-01] [5.58813484e-01 5.00000000e-01 9.03899347e-02] [4.41186516e-01 5.00000000e-01 9.03899347e-02] [3.15338969e-01 4.19951554e-01 7.53692364e-01] [6.84661031e-01 5.80048446e-01 7.53692364e-01] [6.84661031e-01 4.19951554e-01 2.46307636e-01] [3.15338969e-01 5.80048446e-01 2.46307636e-01] [8.15338969e-01 9.19951554e-01 2.53692364e-01] [1.84661031e-01 8.00484455e-02 2.53692364e-01] [1.84661031e-01 9.19951554e-01 7.46307636e-01] [8.15338969e-01 8.00484455e-02 7.46307636e-01] [6.84661031e-01 5.80048446e-01 2.46307636e-01] [3.15338969e-01 4.19951554e-01 2.46307636e-01] [3.15338969e-01 5.80048446e-01 7.53692364e-01] [6.84661031e-01 4.19951554e-01 7.53692364e-01] [1.84661031e-01 8.00484455e-02 7.46307636e-01] [8.15338969e-01 9.19951554e-01 7.46307636e-01] [8.15338969e-01 8.00484455e-02 2.53692364e-01] [1.84661031e-01 9.19951554e-01 2.53692364e-01] [3.95946097e-01 3.73318128e-01 8.34885538e-01] [6.04053903e-01 6.26681872e-01 8.34885538e-01] [6.04053903e-01 3.73318128e-01 1.65114462e-01] [3.95946097e-01 6.26681872e-01 1.65114462e-01] [8.95946097e-01 8.73318128e-01 3.34885538e-01] [1.04053903e-01 1.26681872e-01 3.34885538e-01] [1.04053903e-01 8.73318128e-01 6.65114462e-01] [8.95946097e-01 1.26681872e-01 6.65114462e-01] [6.04053903e-01 6.26681872e-01 1.65114462e-01] [3.95946097e-01 3.73318128e-01 1.65114462e-01] [3.95946097e-01 6.26681872e-01 8.34885538e-01] [6.04053903e-01 3.73318128e-01 8.34885538e-01] [1.04053903e-01 1.26681872e-01 6.65114462e-01] [8.95946097e-01 8.73318128e-01 6.65114462e-01] [8.95946097e-01 1.26681872e-01 3.34885538e-01] [1.04053903e-01 8.73318128e-01 3.34885538e-01] [2.85831894e-01 3.41443662e-01 6.25880359e-01] [7.14168106e-01 6.58556338e-01 6.25880359e-01] [7.14168106e-01 3.41443662e-01 3.74119641e-01] [2.85831894e-01 6.58556338e-01 3.74119641e-01] [7.85831894e-01 8.41443662e-01 1.25880359e-01] [2.14168106e-01 1.58556338e-01 1.25880359e-01] [2.14168106e-01 8.41443662e-01 8.74119641e-01] [7.85831894e-01 1.58556338e-01 8.74119641e-01] [7.14168106e-01 6.58556338e-01 3.74119641e-01] [2.85831894e-01 3.41443662e-01 3.74119641e-01] [2.85831894e-01 6.58556338e-01 6.25880359e-01] [7.14168106e-01 3.41443662e-01 6.25880359e-01] [2.14168106e-01 1.58556338e-01 8.74119641e-01] [7.85831894e-01 8.41443662e-01 8.74119641e-01] [7.85831894e-01 1.58556338e-01 1.25880359e-01] [2.14168106e-01 8.41443662e-01 1.25880359e-01] [4.48104608e-01 2.49447317e-01 7.84745364e-01] [5.51895392e-01 7.50552683e-01 7.84745364e-01] [5.51895392e-01 2.49447317e-01 2.15254636e-01] [4.48104608e-01 7.50552683e-01 2.15254636e-01] [9.48104608e-01 7.49447317e-01 2.84745364e-01] [5.18953924e-02 2.50552683e-01 2.84745364e-01] [5.18953924e-02 7.49447317e-01 7.15254636e-01] [9.48104608e-01 2.50552683e-01 7.15254636e-01] [5.51895392e-01 7.50552683e-01 2.15254636e-01] [4.48104608e-01 2.49447317e-01 2.15254636e-01] [4.48104608e-01 7.50552683e-01 7.84745364e-01] [5.51895392e-01 2.49447317e-01 7.84745364e-01] [5.18953924e-02 2.50552683e-01 7.15254636e-01] [9.48104608e-01 7.49447317e-01 7.15254636e-01] [9.48104608e-01 2.50552683e-01 2.84745364e-01] [5.18953924e-02 7.49447317e-01 2.84745364e-01] [3.38903823e-01 2.13849588e-01 5.78970395e-01] [6.61096177e-01 7.86150412e-01 5.78970395e-01] [6.61096177e-01 2.13849588e-01 4.21029605e-01] [3.38903823e-01 7.86150412e-01 4.21029605e-01] [8.38903823e-01 7.13849588e-01 7.89703954e-02] [1.61096177e-01 2.86150412e-01 7.89703954e-02] [1.61096177e-01 7.13849588e-01 9.21029605e-01] [8.38903823e-01 2.86150412e-01 9.21029605e-01] [6.61096177e-01 7.86150412e-01 4.21029605e-01] [3.38903823e-01 2.13849588e-01 4.21029605e-01] [3.38903823e-01 7.86150412e-01 5.78970395e-01] [6.61096177e-01 2.13849588e-01 5.78970395e-01] [1.61096177e-01 2.86150412e-01 9.21029605e-01] [8.38903823e-01 7.13849588e-01 9.21029605e-01] [8.38903823e-01 2.86150412e-01 7.89703954e-02] [1.61096177e-01 7.13849588e-01 7.89703954e-02] [4.18589766e-01 1.66605880e-01 6.60567537e-01] [5.81410234e-01 8.33394120e-01 6.60567537e-01] [5.81410234e-01 1.66605880e-01 3.39432463e-01] [4.18589766e-01 8.33394120e-01 3.39432463e-01] [9.18589766e-01 6.66605880e-01 1.60567537e-01] [8.14102340e-02 3.33394120e-01 1.60567537e-01] [8.14102340e-02 6.66605880e-01 8.39432463e-01] [9.18589766e-01 3.33394120e-01 8.39432463e-01] [5.81410234e-01 8.33394120e-01 3.39432463e-01] [4.18589766e-01 1.66605880e-01 3.39432463e-01] [4.18589766e-01 8.33394120e-01 6.60567537e-01] [5.81410234e-01 1.66605880e-01 6.60567537e-01] [8.14102340e-02 3.33394120e-01 8.39432463e-01] [9.18589766e-01 6.66605880e-01 8.39432463e-01] [9.18589766e-01 3.33394120e-01 1.60567537e-01] [8.14102340e-02 6.66605880e-01 1.60567537e-01]] cellpar = Cell([[14.209257853134554, 0.0, 0.0], [0.0, 9.173720430533576, 6.112763935445668e-34], [0.0, 2.2677715168185602e-31, 9.295708726630874]]) forces = [[ 0.00000000e+00 -1.03207878e-09 -9.40246929e-10] [-2.80228200e-30 1.03207878e-09 -9.40246929e-10] [ 0.00000000e+00 -1.03207878e-09 9.40246929e-10] [ 0.00000000e+00 1.03207878e-09 9.40246929e-10] [ 0.00000000e+00 -1.03207878e-09 -9.40246929e-10] [ 0.00000000e+00 1.03207878e-09 -9.40246929e-10] [ 0.00000000e+00 -1.03207878e-09 9.40246929e-10] [ 0.00000000e+00 1.03207878e-09 9.40246929e-10] [ 1.85666338e-09 -1.68677247e-09 -1.12395424e-43] [-1.85666338e-09 1.68677247e-09 1.12395424e-43] [-1.85666338e-09 -1.68677247e-09 -1.12395424e-43] [ 1.85666338e-09 1.68677247e-09 1.12395424e-43] [ 1.85666338e-09 -1.68677247e-09 -1.12395424e-43] [-1.85666338e-09 1.68677247e-09 1.12395424e-43] [-1.85666338e-09 -1.68677247e-09 -1.12395424e-43] [ 1.85666338e-09 1.68677247e-09 1.12395424e-43] [-5.96794290e-09 -5.65337572e-41 -2.31734695e-09] [ 5.96794290e-09 -5.65337572e-41 -2.31734695e-09] [ 5.96794290e-09 5.65337572e-41 2.31734695e-09] [-5.96794290e-09 5.65337572e-41 2.31734695e-09] [-5.96794290e-09 -5.65337572e-41 -2.31734695e-09] [ 5.96794290e-09 -2.89471576e-29 -2.31734695e-09] [ 5.96794290e-09 2.89471576e-29 2.31734695e-09] [-5.96794290e-09 5.65337572e-41 2.31734695e-09] [ 5.26277026e-09 -7.44934094e-10 3.03552986e-09] [-5.26277026e-09 7.44934094e-10 3.03552986e-09] [-5.26277026e-09 -7.44934094e-10 -3.03552986e-09] [ 5.26277026e-09 7.44934094e-10 -3.03552986e-09] [ 5.26277026e-09 -7.44934094e-10 3.03552986e-09] [-5.26277026e-09 7.44934094e-10 3.03552986e-09] [-5.26277026e-09 -7.44934094e-10 -3.03552986e-09] [ 5.26277026e-09 7.44934094e-10 -3.03552986e-09] [-5.26277026e-09 7.44934094e-10 -3.03552986e-09] [ 5.26277026e-09 -7.44934094e-10 -3.03552986e-09] [ 5.26277026e-09 7.44934094e-10 3.03552986e-09] [-5.26277026e-09 -7.44934094e-10 3.03552986e-09] [-5.26277026e-09 7.44934094e-10 -3.03552986e-09] [ 5.26277026e-09 -7.44934094e-10 -3.03552986e-09] [ 5.26277026e-09 7.44934094e-10 3.03552986e-09] [-5.26277026e-09 -7.44934094e-10 3.03552986e-09] [-1.62014386e-09 5.20493898e-09 1.17301835e-10] [ 1.62014386e-09 -5.20493898e-09 1.17301835e-10] [ 1.62014386e-09 5.20493898e-09 -1.17301835e-10] [-1.62014386e-09 -5.20493898e-09 -1.17301835e-10] [-1.62014386e-09 5.20493898e-09 1.17301835e-10] [ 1.62014386e-09 -5.20493898e-09 1.17301835e-10] [ 1.62014386e-09 5.20493898e-09 -1.17301835e-10] [-1.62014386e-09 -5.20493898e-09 -1.17301835e-10] [ 1.62014386e-09 -5.20493898e-09 -1.17301835e-10] [-1.62014386e-09 5.20493898e-09 -1.17301835e-10] [-1.62014386e-09 -5.20493898e-09 1.17301835e-10] [ 1.62014386e-09 5.20493898e-09 1.17301835e-10] [ 1.62014386e-09 -5.20493898e-09 -1.17301835e-10] [-1.62014386e-09 5.20493898e-09 -1.17301835e-10] [-1.62014386e-09 -5.20493898e-09 1.17301835e-10] [ 1.62014386e-09 5.20493898e-09 1.17301835e-10] [ 2.16145055e-09 9.39665961e-10 4.13710882e-10] [-2.16145055e-09 -9.39665961e-10 4.13710882e-10] [-2.16145055e-09 9.39665961e-10 -4.13710882e-10] [ 2.16145055e-09 -9.39665961e-10 -4.13710882e-10] [ 2.16145055e-09 9.39665961e-10 4.13710882e-10] [-2.16145055e-09 -9.39665961e-10 4.13710882e-10] [-2.16145055e-09 9.39665961e-10 -4.13710882e-10] [ 2.16145055e-09 -9.39665961e-10 -4.13710882e-10] [-2.16145055e-09 -9.39665961e-10 -4.13710882e-10] [ 2.16145055e-09 9.39665961e-10 -4.13710882e-10] [ 2.16145055e-09 -9.39665961e-10 4.13710882e-10] [-2.16145055e-09 9.39665961e-10 4.13710882e-10] [-2.16145055e-09 -9.39665961e-10 -4.13710882e-10] [ 2.16145055e-09 9.39665961e-10 -4.13710882e-10] [ 2.16145055e-09 -9.39665961e-10 4.13710882e-10] [-2.16145055e-09 9.39665961e-10 4.13710882e-10] [-8.89257383e-09 2.43153648e-09 3.48548559e-09] [ 8.89257383e-09 -2.43153648e-09 3.48548559e-09] [ 8.89257383e-09 2.43153648e-09 -3.48548559e-09] [-8.89257383e-09 -2.43153648e-09 -3.48548559e-09] [-8.89257383e-09 2.43153648e-09 3.48548559e-09] [ 8.89257383e-09 -2.43153648e-09 3.48548559e-09] [ 8.89257383e-09 2.43153648e-09 -3.48548559e-09] [-8.89257383e-09 -2.43153648e-09 -3.48548559e-09] [ 8.89257383e-09 -2.43153648e-09 -3.48548559e-09] [-8.89257383e-09 2.43153648e-09 -3.48548559e-09] [-8.89257383e-09 -2.43153648e-09 3.48548559e-09] [ 8.89257383e-09 2.43153648e-09 3.48548559e-09] [ 8.89257383e-09 -2.43153648e-09 -3.48548559e-09] [-8.89257383e-09 2.43153648e-09 -3.48548559e-09] [-8.89257383e-09 -2.43153648e-09 3.48548559e-09] [ 8.89257383e-09 2.43153648e-09 3.48548559e-09] [-1.56795537e-09 3.48082516e-09 -1.10219185e-09] [ 1.56795537e-09 -3.48082516e-09 -1.10219185e-09] [ 1.56795537e-09 3.48082516e-09 1.10219185e-09] [-1.56795537e-09 -3.48082516e-09 1.10219185e-09] [-1.56795537e-09 3.48082516e-09 -1.10219185e-09] [ 1.56795537e-09 -3.48082516e-09 -1.10219185e-09] [ 1.56795537e-09 3.48082516e-09 1.10219185e-09] [-1.56795537e-09 -3.48082516e-09 1.10219185e-09] [ 1.56795537e-09 -3.48082516e-09 1.10219185e-09] [-1.56795537e-09 3.48082516e-09 1.10219185e-09] [-1.56795537e-09 -3.48082516e-09 -1.10219185e-09] [ 1.56795537e-09 3.48082516e-09 -1.10219185e-09] [ 1.56795537e-09 -3.48082516e-09 1.10219185e-09] [-1.56795537e-09 3.48082516e-09 1.10219185e-09] [-1.56795537e-09 -3.48082516e-09 -1.10219185e-09] [ 1.56795537e-09 3.48082516e-09 -1.10219185e-09] [-7.07362890e-09 -1.24793739e-09 -3.39766362e-09] [ 7.07362890e-09 1.24793739e-09 -3.39766362e-09] [ 7.07362890e-09 -1.24793739e-09 3.39766362e-09] [-7.07362890e-09 1.24793739e-09 3.39766362e-09] [-7.07362890e-09 -1.24793739e-09 -3.39766362e-09] [ 7.07362890e-09 1.24793739e-09 -3.39766362e-09] [ 7.07362890e-09 -1.24793739e-09 3.39766362e-09] [-7.07362890e-09 1.24793739e-09 3.39766362e-09] [ 7.07362890e-09 1.24793739e-09 3.39766362e-09] [-7.07362890e-09 -1.24793739e-09 3.39766362e-09] [-7.07362890e-09 1.24793739e-09 -3.39766362e-09] [ 7.07362890e-09 -1.24793739e-09 -3.39766362e-09] [ 7.07362890e-09 1.24793739e-09 3.39766362e-09] [-7.07362890e-09 -1.24793739e-09 3.39766362e-09] [-7.07362890e-09 1.24793739e-09 -3.39766362e-09] [ 7.07362890e-09 -1.24793739e-09 -3.39766362e-09]] stress = [4.34035258e-12 1.43056169e-10 4.04614485e-11 2.31266344e-33 0.00000000e+00 0.00000000e+00] energy per atom = -8.090049091990355 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0