element(s): ['Si'] AFLOW prototype label: A_cI82_217_acgh Parameter names: ['a', 'x2', 'x3', 'z3', 'x4', 'y4', 'z4'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['12.484', '0.60872638', '0.067937819', '0.29127613', '0.022996208', '0.36892608', '0.23626523'] model name: Sim_LAMMPS_Vashishta_BroughtonMeliVashishta_1997_SiO__SM_422553794879_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0. 0. 0. ] [0.10872638 0.10872638 0.10872638] [0.06793782 0.06793782 0.29127613] [0.52299621 0.86892608 0.73626523]] spacegroup = 217 cell = [[12.484, 0, 0], [0, 12.484, 0], [0, 0, 12.484]] ========================================= Step Time Energy fmax BFGS: 0 17:21:21 274.700901 4.220791 BFGS: 1 17:21:21 273.851522 4.208311 BFGS: 2 17:21:22 273.022561 4.195922 BFGS: 3 17:21:22 272.211639 4.183614 BFGS: 4 17:21:22 271.416802 4.171381 BFGS: 5 17:21:22 270.636389 4.159663 BFGS: 6 17:21:24 269.868971 4.148016 BFGS: 7 17:21:25 269.113382 4.136433 BFGS: 8 17:21:26 268.368625 4.124909 BFGS: 9 17:21:27 267.633838 4.113443 BFGS: 10 17:21:28 266.908269 4.102029 BFGS: 11 17:21:28 266.191259 4.090763 BFGS: 12 17:21:29 265.482148 4.079929 BFGS: 13 17:21:30 264.780344 4.069145 BFGS: 14 17:21:31 264.085377 4.058408 BFGS: 15 17:21:33 263.396829 4.047717 BFGS: 16 17:21:35 262.714323 4.037069 BFGS: 17 17:21:38 262.037517 4.026461 BFGS: 18 17:21:40 261.366100 4.015892 BFGS: 19 17:21:42 260.699789 4.005360 BFGS: 20 17:21:45 260.038326 3.994863 BFGS: 21 17:21:46 259.381472 3.984400 BFGS: 22 17:21:48 258.729008 3.973969 BFGS: 23 17:21:49 258.080729 3.963570 BFGS: 24 17:21:50 257.436449 3.953201 BFGS: 25 17:21:52 256.795991 3.942861 BFGS: 26 17:21:52 256.159193 3.932550 BFGS: 27 17:21:52 255.525903 3.922265 BFGS: 28 17:21:53 254.895978 3.912007 BFGS: 29 17:21:53 254.269285 3.901774 BFGS: 30 17:21:54 253.645700 3.891566 BFGS: 31 17:21:55 253.025104 3.881382 BFGS: 32 17:21:56 252.407386 3.871221 BFGS: 33 17:21:57 251.792444 3.861083 BFGS: 34 17:21:57 251.180178 3.850966 BFGS: 35 17:21:58 250.570494 3.840949 BFGS: 36 17:21:59 249.963259 3.831277 BFGS: 37 17:22:00 249.358376 3.821623 BFGS: 38 17:22:00 248.755768 3.811988 BFGS: 39 17:22:01 248.155327 3.802745 BFGS: 40 17:22:02 247.556871 3.793680 BFGS: 41 17:22:03 246.960323 3.784627 BFGS: 42 17:22:05 246.365627 3.775585 BFGS: 43 17:22:06 245.772729 3.766555 BFGS: 44 17:22:07 245.181575 3.757535 BFGS: 45 17:22:07 244.592116 3.748526 BFGS: 46 17:22:08 244.004304 3.739527 BFGS: 47 17:22:08 243.418093 3.730539 BFGS: 48 17:22:09 242.833439 3.721561 BFGS: 49 17:22:10 242.250299 3.712593 BFGS: 50 17:22:11 241.668633 3.703635 BFGS: 51 17:22:13 241.088402 3.694686 BFGS: 52 17:22:14 240.509569 3.685747 BFGS: 53 17:22:14 239.932096 3.676817 BFGS: 54 17:22:14 239.355949 3.667897 BFGS: 55 17:22:15 238.781094 3.658985 BFGS: 56 17:22:15 238.207498 3.650082 BFGS: 57 17:22:16 237.635129 3.641187 BFGS: 58 17:22:16 237.063958 3.632301 BFGS: 59 17:22:16 236.493953 3.623423 BFGS: 60 17:22:16 235.925087 3.614571 BFGS: 61 17:22:17 235.357325 3.605853 BFGS: 62 17:22:18 234.790641 3.597144 BFGS: 63 17:22:19 234.225008 3.588443 BFGS: 64 17:22:19 233.660400 3.579750 BFGS: 65 17:22:19 233.096791 3.571065 BFGS: 66 17:22:19 232.534158 3.562387 BFGS: 67 17:22:20 231.972475 3.553717 BFGS: 68 17:22:20 231.411718 3.545054 BFGS: 69 17:22:20 230.851866 3.536399 BFGS: 70 17:22:21 230.292895 3.527750 BFGS: 71 17:22:21 229.734783 3.519107 BFGS: 72 17:22:22 229.177460 3.510912 BFGS: 73 17:22:22 228.620776 3.502763 BFGS: 74 17:22:22 228.064697 3.494624 BFGS: 75 17:22:23 227.509196 3.486494 BFGS: 76 17:22:23 226.954247 3.478373 BFGS: 77 17:22:23 226.399826 3.470261 BFGS: 78 17:22:23 225.845905 3.462158 BFGS: 79 17:22:24 225.292461 3.454063 BFGS: 80 17:22:24 224.739469 3.445975 BFGS: 81 17:22:24 224.186905 3.437895 BFGS: 82 17:22:24 223.634745 3.429822 BFGS: 83 17:22:24 223.082966 3.421756 BFGS: 84 17:22:25 222.531544 3.413697 BFGS: 85 17:22:25 221.980457 3.405643 BFGS: 86 17:22:26 221.429683 3.397596 BFGS: 87 17:22:26 220.879200 3.389554 BFGS: 88 17:22:27 220.328986 3.381518 BFGS: 89 17:22:28 219.779020 3.373486 BFGS: 90 17:22:29 219.229283 3.365460 BFGS: 91 17:22:30 218.679752 3.357437 BFGS: 92 17:22:31 218.130409 3.349419 BFGS: 93 17:22:33 217.581234 3.341405 BFGS: 94 17:22:35 217.032208 3.333394 BFGS: 95 17:22:36 216.483312 3.325386 BFGS: 96 17:22:38 215.934529 3.317382 BFGS: 97 17:22:39 215.385840 3.309380 BFGS: 98 17:22:40 214.837229 3.301380 BFGS: 99 17:22:40 214.288678 3.293382 BFGS: 100 17:22:41 213.740172 3.285387 BFGS: 101 17:22:41 213.191696 3.277393 BFGS: 102 17:22:41 212.643232 3.269400 BFGS: 103 17:22:41 212.094769 3.261409 BFGS: 104 17:22:42 211.546290 3.253418 BFGS: 105 17:22:42 210.997783 3.245428 BFGS: 106 17:22:43 210.449234 3.237438 BFGS: 107 17:22:43 209.900631 3.229448 BFGS: 108 17:22:44 209.351963 3.221458 BFGS: 109 17:22:44 208.803218 3.213468 BFGS: 110 17:22:46 208.254385 3.205477 BFGS: 111 17:22:46 207.705455 3.197485 BFGS: 112 17:22:48 207.156417 3.189492 BFGS: 113 17:22:48 206.607264 3.181499 BFGS: 114 17:22:49 206.057986 3.173503 BFGS: 115 17:22:49 205.508576 3.165506 BFGS: 116 17:22:49 204.959027 3.157507 BFGS: 117 17:22:50 204.409333 3.149506 BFGS: 118 17:22:50 203.859487 3.141503 BFGS: 119 17:22:51 203.309485 3.133498 BFGS: 120 17:22:52 202.759321 3.125490 BFGS: 121 17:22:52 202.208993 3.117479 BFGS: 122 17:22:53 201.658495 3.109466 BFGS: 123 17:22:54 201.107825 3.101449 BFGS: 124 17:22:54 200.556982 3.093430 BFGS: 125 17:22:54 200.005962 3.085407 BFGS: 126 17:22:55 199.454765 3.077380 BFGS: 127 17:22:55 198.903391 3.069350 BFGS: 128 17:22:56 198.351839 3.061317 BFGS: 129 17:22:57 197.800109 3.053279 BFGS: 130 17:22:58 197.248204 3.045238 BFGS: 131 17:22:58 196.696123 3.037193 BFGS: 132 17:22:59 196.143869 3.029143 BFGS: 133 17:22:59 195.591445 3.021090 BFGS: 134 17:22:59 195.038854 3.013032 BFGS: 135 17:22:59 194.486099 3.004969 BFGS: 136 17:22:59 193.933185 2.996902 BFGS: 137 17:23:00 193.380115 2.988831 BFGS: 138 17:23:00 192.826895 2.980755 BFGS: 139 17:23:00 192.273530 2.972674 BFGS: 140 17:23:00 191.720026 2.964589 BFGS: 141 17:23:00 191.166390 2.956499 BFGS: 142 17:23:00 190.612629 2.948404 BFGS: 143 17:23:00 190.058749 2.940304 BFGS: 144 17:23:00 189.504759 2.932199 BFGS: 145 17:23:00 188.950667 2.924089 BFGS: 146 17:23:01 188.396481 2.915974 BFGS: 147 17:23:01 187.842211 2.907854 BFGS: 148 17:23:01 187.287865 2.899729 BFGS: 149 17:23:02 186.733456 2.891599 BFGS: 150 17:23:02 186.178991 2.883463 BFGS: 151 17:23:02 185.624484 2.875323 BFGS: 152 17:23:02 185.069944 2.867178 BFGS: 153 17:23:03 184.515384 2.859027 BFGS: 154 17:23:03 183.960815 2.850871 BFGS: 155 17:23:03 183.406252 2.842710 BFGS: 156 17:23:03 182.851706 2.834544 BFGS: 157 17:23:04 182.297191 2.826373 BFGS: 158 17:23:04 181.742721 2.818197 BFGS: 159 17:23:04 181.188311 2.810016 BFGS: 160 17:23:04 180.633976 2.801830 BFGS: 161 17:23:04 180.079731 2.793639 BFGS: 162 17:23:05 179.525533 2.785905 BFGS: 163 17:23:05 178.971292 2.778248 BFGS: 164 17:23:06 178.417021 2.770585 BFGS: 165 17:23:07 177.862735 2.762915 BFGS: 166 17:23:07 177.308453 2.755316 BFGS: 167 17:23:07 176.754235 2.747911 BFGS: 168 17:23:07 176.200146 2.740501 BFGS: 169 17:23:08 175.646202 2.733085 BFGS: 170 17:23:08 175.092425 2.725664 BFGS: 171 17:23:08 174.538832 2.718237 BFGS: 172 17:23:08 173.985443 2.710806 BFGS: 173 17:23:08 173.432280 2.703370 BFGS: 174 17:23:08 172.879362 2.695929 BFGS: 175 17:23:08 172.326712 2.688483 BFGS: 176 17:23:08 171.774350 2.681032 BFGS: 177 17:23:08 171.222300 2.673576 BFGS: 178 17:23:08 170.670583 2.666116 BFGS: 179 17:23:09 170.119224 2.658651 BFGS: 180 17:23:09 169.568245 2.651182 BFGS: 181 17:23:09 169.017670 2.643709 BFGS: 182 17:23:09 168.467525 2.636231 BFGS: 183 17:23:09 167.917833 2.628750 BFGS: 184 17:23:09 167.368620 2.621264 BFGS: 185 17:23:09 166.819911 2.613774 BFGS: 186 17:23:09 166.271733 2.606281 BFGS: 187 17:23:09 165.724112 2.598784 BFGS: 188 17:23:09 165.177083 2.591452 BFGS: 189 17:23:10 164.630836 2.584532 BFGS: 190 17:23:10 164.085522 2.577611 BFGS: 191 17:23:10 163.541170 2.570689 BFGS: 192 17:23:10 162.997807 2.563767 BFGS: 193 17:23:10 162.455461 2.556845 BFGS: 194 17:23:10 161.914160 2.549922 BFGS: 195 17:23:11 161.373933 2.542998 BFGS: 196 17:23:11 160.834808 2.536075 BFGS: 197 17:23:11 160.296814 2.529151 BFGS: 198 17:23:11 159.759978 2.522227 BFGS: 199 17:23:11 159.224330 2.515304 BFGS: 200 17:23:12 158.689898 2.508381 BFGS: 201 17:23:12 158.156710 2.501458 BFGS: 202 17:23:12 157.624794 2.494536 BFGS: 203 17:23:13 157.094180 2.487615 BFGS: 204 17:23:13 156.564896 2.480694 BFGS: 205 17:23:13 156.036969 2.473775 BFGS: 206 17:23:14 155.510428 2.466857 BFGS: 207 17:23:14 154.985302 2.459939 BFGS: 208 17:23:14 154.461617 2.453024 BFGS: 209 17:23:15 153.939403 2.446110 BFGS: 210 17:23:16 153.418687 2.439197 BFGS: 211 17:23:16 152.899496 2.432287 BFGS: 212 17:23:16 152.381857 2.425378 BFGS: 213 17:23:16 151.865799 2.418472 BFGS: 214 17:23:16 151.351348 2.411568 BFGS: 215 17:23:16 150.838531 2.404666 BFGS: 216 17:23:17 150.327374 2.397767 BFGS: 217 17:23:17 149.817904 2.390871 BFGS: 218 17:23:17 149.310147 2.383978 BFGS: 219 17:23:17 148.804129 2.377088 BFGS: 220 17:23:17 148.299875 2.370202 BFGS: 221 17:23:17 147.797410 2.363318 BFGS: 222 17:23:18 147.296760 2.356439 BFGS: 223 17:23:18 146.797949 2.349563 BFGS: 224 17:23:18 146.301001 2.342692 BFGS: 225 17:23:18 145.805940 2.335824 BFGS: 226 17:23:18 145.312790 2.328961 BFGS: 227 17:23:18 144.821574 2.322102 BFGS: 228 17:23:18 144.332314 2.315248 BFGS: 229 17:23:18 143.845034 2.308399 BFGS: 230 17:23:18 143.359755 2.301555 BFGS: 231 17:23:18 142.876498 2.294716 BFGS: 232 17:23:18 142.395285 2.287882 BFGS: 233 17:23:18 141.916137 2.281054 BFGS: 234 17:23:19 141.439073 2.274232 BFGS: 235 17:23:19 140.964114 2.267415 BFGS: 236 17:23:19 140.491279 2.260605 BFGS: 237 17:23:19 140.020586 2.253801 BFGS: 238 17:23:20 139.552055 2.247003 BFGS: 239 17:23:20 139.085702 2.240212 BFGS: 240 17:23:20 138.621546 2.233428 BFGS: 241 17:23:20 138.159603 2.226651 BFGS: 242 17:23:20 137.699889 2.219880 BFGS: 243 17:23:20 137.242420 2.213117 BFGS: 244 17:23:20 136.787212 2.206362 BFGS: 245 17:23:20 136.334279 2.199614 BFGS: 246 17:23:20 135.883635 2.192874 BFGS: 247 17:23:20 135.435294 2.186142 BFGS: 248 17:23:20 134.989270 2.179418 BFGS: 249 17:23:20 134.545574 2.172702 BFGS: 250 17:23:20 134.104218 2.165995 BFGS: 251 17:23:20 133.665191 2.159497 BFGS: 252 17:23:20 133.228447 2.153050 BFGS: 253 17:23:21 132.793994 2.146612 BFGS: 254 17:23:21 132.361842 2.140184 BFGS: 255 17:23:21 131.932003 2.133766 BFGS: 256 17:23:21 131.504484 2.127357 BFGS: 257 17:23:21 131.079291 2.121084 BFGS: 258 17:23:22 130.656372 2.115094 BFGS: 259 17:23:22 130.235735 2.109109 BFGS: 260 17:23:23 129.817387 2.103131 BFGS: 261 17:23:23 129.401339 2.097158 BFGS: 262 17:23:24 128.987598 2.091192 BFGS: 263 17:23:24 128.576172 2.085232 BFGS: 264 17:23:25 128.167068 2.079323 BFGS: 265 17:23:25 127.760200 2.073723 BFGS: 266 17:23:26 127.355517 2.068129 BFGS: 267 17:23:26 126.953024 2.062541 BFGS: 268 17:23:26 126.552728 2.056959 BFGS: 269 17:23:26 126.154634 2.051383 BFGS: 270 17:23:26 125.758749 2.045813 BFGS: 271 17:23:26 125.365077 2.040249 BFGS: 272 17:23:26 124.973622 2.034691 BFGS: 273 17:23:26 124.584388 2.029140 BFGS: 274 17:23:26 124.197377 2.023596 BFGS: 275 17:23:26 123.812593 2.018058 BFGS: 276 17:23:26 123.430038 2.012527 BFGS: 277 17:23:27 123.049712 2.007003 BFGS: 278 17:23:27 122.671618 2.001487 BFGS: 279 17:23:27 122.295755 1.995977 BFGS: 280 17:23:27 121.922122 1.990475 BFGS: 281 17:23:27 121.550720 1.984981 BFGS: 282 17:23:27 121.181547 1.979494 BFGS: 283 17:23:28 120.814601 1.974015 BFGS: 284 17:23:28 120.449880 1.968543 BFGS: 285 17:23:28 120.087381 1.963080 BFGS: 286 17:23:29 119.727101 1.957625 BFGS: 287 17:23:29 119.369035 1.952178 BFGS: 288 17:23:29 119.013179 1.946739 BFGS: 289 17:23:30 118.659528 1.941309 BFGS: 290 17:23:30 118.308077 1.935887 BFGS: 291 17:23:30 117.958820 1.930474 BFGS: 292 17:23:30 117.611750 1.925069 BFGS: 293 17:23:30 117.266861 1.919674 BFGS: 294 17:23:30 116.924145 1.914287 BFGS: 295 17:23:31 116.583595 1.908910 BFGS: 296 17:23:31 116.245202 1.903541 BFGS: 297 17:23:31 115.908958 1.898182 BFGS: 298 17:23:31 115.574853 1.892832 BFGS: 299 17:23:31 115.242879 1.887492 BFGS: 300 17:23:31 114.913025 1.882161 BFGS: 301 17:23:31 114.585281 1.876839 BFGS: 302 17:23:31 114.259637 1.871528 BFGS: 303 17:23:31 113.936081 1.866226 BFGS: 304 17:23:31 113.614600 1.861012 BFGS: 305 17:23:31 113.295082 1.856243 BFGS: 306 17:23:32 112.977478 1.851481 BFGS: 307 17:23:32 112.661777 1.846724 BFGS: 308 17:23:32 112.347970 1.841975 BFGS: 309 17:23:32 112.036048 1.837232 BFGS: 310 17:23:32 111.726000 1.832495 BFGS: 311 17:23:33 111.417815 1.827766 BFGS: 312 17:23:33 111.111483 1.823043 BFGS: 313 17:23:33 110.806993 1.818327 BFGS: 314 17:23:33 110.504334 1.813618 BFGS: 315 17:23:33 110.203493 1.808916 BFGS: 316 17:23:33 109.904460 1.804222 BFGS: 317 17:23:33 109.607222 1.799534 BFGS: 318 17:23:33 109.311767 1.794853 BFGS: 319 17:23:33 109.018082 1.790180 BFGS: 320 17:23:33 108.726156 1.785514 BFGS: 321 17:23:33 108.435935 1.781103 BFGS: 322 17:23:33 108.147344 1.776721 BFGS: 323 17:23:33 107.860369 1.772345 BFGS: 324 17:23:34 107.575001 1.767975 BFGS: 325 17:23:34 107.291229 1.763612 BFGS: 326 17:23:34 107.009040 1.759256 BFGS: 327 17:23:34 106.728426 1.754967 BFGS: 328 17:23:34 106.449388 1.750794 BFGS: 329 17:23:34 106.171918 1.746625 BFGS: 330 17:23:34 105.896003 1.742461 BFGS: 331 17:23:34 105.621630 1.738300 BFGS: 332 17:23:35 105.348785 1.734145 BFGS: 333 17:23:35 105.077455 1.729994 BFGS: 334 17:23:35 104.807627 1.725847 BFGS: 335 17:23:35 104.539288 1.721704 BFGS: 336 17:23:35 104.272406 1.717733 BFGS: 337 17:23:35 104.006897 1.713862 BFGS: 338 17:23:35 103.742741 1.709996 BFGS: 339 17:23:35 103.479928 1.706134 BFGS: 340 17:23:36 103.218444 1.702276 BFGS: 341 17:23:36 102.958279 1.698422 BFGS: 342 17:23:36 102.699421 1.694572 BFGS: 343 17:23:36 102.441859 1.690727 BFGS: 344 17:23:36 102.185582 1.686886 BFGS: 345 17:23:36 101.930578 1.683049 BFGS: 346 17:23:36 101.676836 1.679216 BFGS: 347 17:23:36 101.424344 1.675387 BFGS: 348 17:23:36 101.173092 1.671562 BFGS: 349 17:23:36 100.923069 1.667742 BFGS: 350 17:23:36 100.674262 1.663925 BFGS: 351 17:23:36 100.426662 1.660113 BFGS: 352 17:23:36 100.180256 1.656304 BFGS: 353 17:23:36 99.935035 1.652500 BFGS: 354 17:23:36 99.690987 1.648700 BFGS: 355 17:23:36 99.448101 1.644903 BFGS: 356 17:23:36 99.206366 1.641111 BFGS: 357 17:23:36 98.965772 1.637323 BFGS: 358 17:23:36 98.726309 1.633539 BFGS: 359 17:23:37 98.487964 1.629758 BFGS: 360 17:23:37 98.250729 1.625982 BFGS: 361 17:23:37 98.014592 1.622209 BFGS: 362 17:23:37 97.779543 1.618441 BFGS: 363 17:23:37 97.545571 1.614676 BFGS: 364 17:23:37 97.312667 1.610916 BFGS: 365 17:23:37 97.080821 1.607159 BFGS: 366 17:23:37 96.850021 1.603406 BFGS: 367 17:23:37 96.620259 1.599657 BFGS: 368 17:23:37 96.391524 1.595912 BFGS: 369 17:23:37 96.163806 1.592171 BFGS: 370 17:23:37 95.937096 1.588433 BFGS: 371 17:23:37 95.711383 1.584700 BFGS: 372 17:23:37 95.486659 1.580970 BFGS: 373 17:23:37 95.262913 1.577244 BFGS: 374 17:23:37 95.040137 1.573522 BFGS: 375 17:23:37 94.818321 1.569804 BFGS: 376 17:23:37 94.597455 1.566089 BFGS: 377 17:23:37 94.377531 1.562378 BFGS: 378 17:23:38 94.158539 1.558671 BFGS: 379 17:23:38 93.940470 1.554968 BFGS: 380 17:23:38 93.723316 1.551269 BFGS: 381 17:23:38 93.507068 1.547573 BFGS: 382 17:23:38 93.291716 1.543881 BFGS: 383 17:23:38 93.077253 1.540192 BFGS: 384 17:23:38 92.863669 1.536508 BFGS: 385 17:23:38 92.650957 1.532827 BFGS: 386 17:23:38 92.439107 1.529150 BFGS: 387 17:23:38 92.228112 1.525476 BFGS: 388 17:23:38 92.017963 1.521806 BFGS: 389 17:23:38 91.808652 1.518140 BFGS: 390 17:23:38 91.600172 1.514478 BFGS: 391 17:23:38 91.392513 1.510819 BFGS: 392 17:23:38 91.185670 1.507164 BFGS: 393 17:23:38 90.979632 1.503512 BFGS: 394 17:23:38 90.774394 1.499864 BFGS: 395 17:23:38 90.569948 1.496220 BFGS: 396 17:23:38 90.366285 1.492579 BFGS: 397 17:23:38 90.163399 1.488942 BFGS: 398 17:23:38 89.961282 1.485308 BFGS: 399 17:23:38 89.759927 1.481678 BFGS: 400 17:23:38 89.559327 1.478052 BFGS: 401 17:23:39 89.359475 1.474429 BFGS: 402 17:23:39 89.160364 1.470810 BFGS: 403 17:23:39 88.961986 1.467235 BFGS: 404 17:23:39 88.764332 1.463733 BFGS: 405 17:23:39 88.567410 1.460234 BFGS: 406 17:23:39 88.371212 1.456738 BFGS: 407 17:23:39 88.175732 1.453245 BFGS: 408 17:23:39 87.980963 1.449755 BFGS: 409 17:23:39 87.786897 1.446268 BFGS: 410 17:23:39 87.593528 1.442784 BFGS: 411 17:23:39 87.400850 1.439302 BFGS: 412 17:23:39 87.208856 1.435824 BFGS: 413 17:23:39 87.017538 1.432349 BFGS: 414 17:23:39 86.826892 1.428877 BFGS: 415 17:23:39 86.636864 1.425774 BFGS: 416 17:23:39 86.447404 1.422702 BFGS: 417 17:23:39 86.258508 1.419633 BFGS: 418 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17:24:42 4.841393 0.136252 BFGS: 1513 17:24:42 4.822182 0.135997 BFGS: 1514 17:24:43 4.803019 0.135742 BFGS: 1515 17:24:43 4.783904 0.135487 BFGS: 1516 17:24:43 4.764836 0.135233 BFGS: 1517 17:24:43 4.745816 0.134978 BFGS: 1518 17:24:43 4.726843 0.134724 BFGS: 1519 17:24:43 4.707919 0.134471 BFGS: 1520 17:24:43 4.689041 0.134218 BFGS: 1521 17:24:43 4.670211 0.133965 BFGS: 1522 17:24:43 4.651429 0.133712 BFGS: 1523 17:24:43 4.632694 0.133459 BFGS: 1524 17:24:43 4.614006 0.133207 BFGS: 1525 17:24:43 4.595365 0.132956 BFGS: 1526 17:24:43 4.576772 0.132704 BFGS: 1527 17:24:43 4.558226 0.132453 BFGS: 1528 17:24:43 4.539727 0.132202 BFGS: 1529 17:24:43 4.521276 0.131952 BFGS: 1530 17:24:43 4.502871 0.131701 BFGS: 1531 17:24:43 4.484513 0.131451 BFGS: 1532 17:24:43 4.466203 0.131202 BFGS: 1533 17:24:44 4.447939 0.130952 BFGS: 1534 17:24:44 4.429722 0.130703 BFGS: 1535 17:24:44 4.411552 0.130454 BFGS: 1536 17:24:44 4.393429 0.130206 BFGS: 1537 17:24:44 4.375353 0.129958 BFGS: 1538 17:24:44 4.357323 0.129710 BFGS: 1539 17:24:44 4.339340 0.129462 BFGS: 1540 17:24:44 4.321404 0.129215 BFGS: 1541 17:24:44 4.303515 0.128968 BFGS: 1542 17:24:44 4.285672 0.128721 BFGS: 1543 17:24:44 4.267875 0.128475 BFGS: 1544 17:24:44 4.250125 0.128229 BFGS: 1545 17:24:44 4.232421 0.127983 BFGS: 1546 17:24:44 4.214764 0.127737 BFGS: 1547 17:24:44 4.197153 0.127492 BFGS: 1548 17:24:44 4.179589 0.127247 BFGS: 1549 17:24:45 4.162070 0.127002 BFGS: 1550 17:24:45 4.144598 0.126758 BFGS: 1551 17:24:45 4.127173 0.126514 BFGS: 1552 17:24:45 4.109793 0.126270 BFGS: 1553 17:24:45 4.092459 0.126027 BFGS: 1554 17:24:45 4.075172 0.125783 BFGS: 1555 17:24:45 4.057930 0.125540 BFGS: 1556 17:24:45 4.040735 0.125298 BFGS: 1557 17:24:45 4.023585 0.125055 BFGS: 1558 17:24:45 4.006481 0.124813 BFGS: 1559 17:24:45 3.989423 0.124571 BFGS: 1560 17:24:45 3.972411 0.124330 BFGS: 1561 17:24:45 3.955445 0.124089 BFGS: 1562 17:24:45 3.938524 0.123848 BFGS: 1563 17:24:45 3.921649 0.123607 BFGS: 1564 17:24:46 3.904820 0.123367 BFGS: 1565 17:24:46 3.888037 0.123126 BFGS: 1566 17:24:46 3.871299 0.122887 BFGS: 1567 17:24:46 3.854606 0.122647 BFGS: 1568 17:24:46 3.837959 0.122408 BFGS: 1569 17:24:46 3.821357 0.122169 BFGS: 1570 17:24:46 3.804801 0.121930 BFGS: 1571 17:24:46 3.788290 0.121692 BFGS: 1572 17:24:46 3.771825 0.121453 BFGS: 1573 17:24:46 3.755404 0.121215 BFGS: 1574 17:24:46 3.739029 0.120978 BFGS: 1575 17:24:46 3.722699 0.120740 BFGS: 1576 17:24:46 3.706415 0.120503 BFGS: 1577 17:24:46 3.690175 0.120267 BFGS: 1578 17:24:46 3.673980 0.120030 BFGS: 1579 17:24:46 3.657831 0.119794 BFGS: 1580 17:24:47 3.641726 0.119558 BFGS: 1581 17:24:47 3.625667 0.119322 BFGS: 1582 17:24:47 3.609652 0.119086 BFGS: 1583 17:24:47 3.593682 0.118851 BFGS: 1584 17:24:47 3.577757 0.118616 BFGS: 1585 17:24:47 3.561877 0.118382 BFGS: 1586 17:24:47 3.546042 0.118147 BFGS: 1587 17:24:47 3.530251 0.117913 BFGS: 1588 17:24:47 3.514505 0.117679 BFGS: 1589 17:24:47 3.498804 0.117446 BFGS: 1590 17:24:47 3.483147 0.117212 BFGS: 1591 17:24:47 3.467534 0.116979 BFGS: 1592 17:24:47 3.451967 0.116746 BFGS: 1593 17:24:47 3.436443 0.116514 BFGS: 1594 17:24:47 3.420964 0.116281 BFGS: 1595 17:24:47 3.405530 0.116049 BFGS: 1596 17:24:47 3.390140 0.115818 BFGS: 1597 17:24:47 3.374794 0.115586 BFGS: 1598 17:24:47 3.359492 0.115355 BFGS: 1599 17:24:47 3.344235 0.115124 BFGS: 1600 17:24:48 3.329022 0.114893 BFGS: 1601 17:24:48 3.313853 0.114662 BFGS: 1602 17:24:48 3.298728 0.114432 BFGS: 1603 17:24:48 3.283647 0.114202 BFGS: 1604 17:24:48 3.268610 0.113972 BFGS: 1605 17:24:48 3.253617 0.113743 BFGS: 1606 17:24:48 3.238668 0.113514 BFGS: 1607 17:24:48 3.223763 0.113284 BFGS: 1608 17:24:48 3.208902 0.113056 BFGS: 1609 17:24:49 3.194085 0.112827 BFGS: 1610 17:24:49 3.179311 0.112599 BFGS: 1611 17:24:49 3.164582 0.112371 BFGS: 1612 17:24:49 3.149896 0.112143 BFGS: 1613 17:24:49 3.135253 0.111916 BFGS: 1614 17:24:49 3.120655 0.111688 BFGS: 1615 17:24:49 3.106100 0.111461 BFGS: 1616 17:24:49 3.091588 0.111234 BFGS: 1617 17:24:49 3.077120 0.111008 BFGS: 1618 17:24:49 3.062696 0.110782 BFGS: 1619 17:24:49 3.048314 0.110555 BFGS: 1620 17:24:49 3.033977 0.110303 BFGS: 1621 17:24:49 3.019681 0.110003 BFGS: 1622 17:24:49 3.005428 0.109706 BFGS: 1623 17:24:49 2.991218 0.109410 BFGS: 1624 17:24:49 2.977050 0.109115 BFGS: 1625 17:24:49 2.962925 0.108821 BFGS: 1626 17:24:49 2.948842 0.108529 BFGS: 1627 17:24:50 2.934802 0.108238 BFGS: 1628 17:24:50 2.920804 0.107948 BFGS: 1629 17:24:50 2.906848 0.107660 BFGS: 1630 17:24:50 2.892933 0.107373 BFGS: 1631 17:24:50 2.879061 0.107087 BFGS: 1632 17:24:50 2.865230 0.106802 BFGS: 1633 17:24:50 2.851440 0.106518 BFGS: 1634 17:24:50 2.837692 0.106236 BFGS: 1635 17:24:50 2.823985 0.105954 BFGS: 1636 17:24:50 2.810319 0.105674 BFGS: 1637 17:24:50 2.796694 0.105394 BFGS: 1638 17:24:50 2.783110 0.105116 BFGS: 1639 17:24:50 2.769567 0.104839 BFGS: 1640 17:24:51 2.756065 0.104563 BFGS: 1641 17:24:51 2.742603 0.104288 BFGS: 1642 17:24:51 2.729181 0.104013 BFGS: 1643 17:24:51 2.715800 0.103740 BFGS: 1644 17:24:51 2.702459 0.103468 BFGS: 1645 17:24:51 2.689159 0.103196 BFGS: 1646 17:24:51 2.675898 0.102926 BFGS: 1647 17:24:51 2.662677 0.102656 BFGS: 1648 17:24:51 2.649496 0.102388 BFGS: 1649 17:24:51 2.636355 0.102120 BFGS: 1650 17:24:51 2.623254 0.101853 BFGS: 1651 17:24:51 2.610191 0.101587 BFGS: 1652 17:24:51 2.597169 0.101322 BFGS: 1653 17:24:51 2.584186 0.101057 BFGS: 1654 17:24:51 2.571242 0.100794 BFGS: 1655 17:24:51 2.558337 0.100531 BFGS: 1656 17:24:51 2.545471 0.100269 BFGS: 1657 17:24:51 2.532644 0.100008 BFGS: 1658 17:24:51 2.519856 0.099747 BFGS: 1659 17:24:51 2.507107 0.099487 BFGS: 1660 17:24:51 2.494396 0.099228 BFGS: 1661 17:24:51 2.481724 0.098970 BFGS: 1662 17:24:51 2.469090 0.098713 BFGS: 1663 17:24:52 2.456495 0.098456 BFGS: 1664 17:24:52 2.443939 0.098200 BFGS: 1665 17:24:52 2.431420 0.097944 BFGS: 1666 17:24:52 2.418940 0.097689 BFGS: 1667 17:24:52 2.406497 0.097435 BFGS: 1668 17:24:52 2.394093 0.097182 BFGS: 1669 17:24:52 2.381727 0.096929 BFGS: 1670 17:24:52 2.369398 0.096677 BFGS: 1671 17:24:52 2.357107 0.096425 BFGS: 1672 17:24:52 2.344854 0.096175 BFGS: 1673 17:24:52 2.332638 0.095924 BFGS: 1674 17:24:52 2.320460 0.095675 BFGS: 1675 17:24:52 2.308320 0.095426 BFGS: 1676 17:24:52 2.296216 0.095177 BFGS: 1677 17:24:52 2.284150 0.094929 BFGS: 1678 17:24:52 2.272121 0.094682 BFGS: 1679 17:24:52 2.260129 0.094435 BFGS: 1680 17:24:52 2.248174 0.094189 BFGS: 1681 17:24:52 2.236256 0.093943 BFGS: 1682 17:24:52 2.224375 0.093698 BFGS: 1683 17:24:52 2.212531 0.093454 BFGS: 1684 17:24:53 2.200724 0.093210 BFGS: 1685 17:24:53 2.188953 0.092966 BFGS: 1686 17:24:53 2.177218 0.092724 BFGS: 1687 17:24:53 2.165521 0.092481 BFGS: 1688 17:24:53 2.153859 0.092239 BFGS: 1689 17:24:53 2.142234 0.091998 BFGS: 1690 17:24:53 2.130646 0.091757 BFGS: 1691 17:24:53 2.119093 0.091516 BFGS: 1692 17:24:53 2.107577 0.091276 BFGS: 1693 17:24:53 2.096096 0.091037 BFGS: 1694 17:24:53 2.084652 0.090798 BFGS: 1695 17:24:53 2.073244 0.090559 BFGS: 1696 17:24:53 2.061871 0.090321 BFGS: 1697 17:24:53 2.050535 0.090084 BFGS: 1698 17:24:53 2.039234 0.089846 BFGS: 1699 17:24:53 2.027969 0.089610 BFGS: 1700 17:24:53 2.016739 0.089373 BFGS: 1701 17:24:53 2.005545 0.089137 BFGS: 1702 17:24:54 1.994386 0.088902 BFGS: 1703 17:24:54 1.983263 0.088667 BFGS: 1704 17:24:54 1.972175 0.088432 BFGS: 1705 17:24:54 1.961123 0.088198 BFGS: 1706 17:24:54 1.950105 0.087964 BFGS: 1707 17:24:54 1.939123 0.087731 BFGS: 1708 17:24:54 1.928176 0.087497 BFGS: 1709 17:24:54 1.917264 0.087265 BFGS: 1710 17:24:54 1.906387 0.087032 BFGS: 1711 17:24:54 1.895545 0.086800 BFGS: 1712 17:24:54 1.884737 0.086569 BFGS: 1713 17:24:54 1.873965 0.086338 BFGS: 1714 17:24:54 1.863227 0.086107 BFGS: 1715 17:24:54 1.852524 0.085876 BFGS: 1716 17:24:54 1.841855 0.085646 BFGS: 1717 17:24:54 1.831221 0.085416 BFGS: 1718 17:24:54 1.820622 0.085187 BFGS: 1719 17:24:54 1.810057 0.084957 BFGS: 1720 17:24:54 1.799526 0.084729 BFGS: 1721 17:24:54 1.789030 0.084500 BFGS: 1722 17:24:54 1.778568 0.084272 BFGS: 1723 17:24:54 1.768140 0.084044 BFGS: 1724 17:24:55 1.757747 0.083816 BFGS: 1725 17:24:55 1.747387 0.083589 BFGS: 1726 17:24:55 1.737062 0.083362 BFGS: 1727 17:24:55 1.726770 0.083135 BFGS: 1728 17:24:55 1.716513 0.082909 BFGS: 1729 17:24:55 1.706289 0.082683 BFGS: 1730 17:24:55 1.696100 0.082457 BFGS: 1731 17:24:55 1.685944 0.082231 BFGS: 1732 17:24:55 1.675822 0.082006 BFGS: 1733 17:24:55 1.665733 0.081781 BFGS: 1734 17:24:55 1.655678 0.081556 BFGS: 1735 17:24:55 1.645657 0.081332 BFGS: 1736 17:24:55 1.635669 0.081108 BFGS: 1737 17:24:55 1.625715 0.080884 BFGS: 1738 17:24:55 1.615794 0.080660 BFGS: 1739 17:24:55 1.605907 0.080436 BFGS: 1740 17:24:56 1.596053 0.080213 BFGS: 1741 17:24:56 1.586232 0.079990 BFGS: 1742 17:24:56 1.576444 0.079767 BFGS: 1743 17:24:56 1.566690 0.079545 BFGS: 1744 17:24:56 1.556969 0.079322 BFGS: 1745 17:24:56 1.547281 0.079100 BFGS: 1746 17:24:56 1.537626 0.078878 BFGS: 1747 17:24:56 1.528004 0.078656 BFGS: 1748 17:24:56 1.518415 0.078435 BFGS: 1749 17:24:56 1.508859 0.078213 BFGS: 1750 17:24:56 1.499335 0.077992 BFGS: 1751 17:24:56 1.489845 0.077771 BFGS: 1752 17:24:56 1.480387 0.077551 BFGS: 1753 17:24:56 1.470963 0.077330 BFGS: 1754 17:24:56 1.461570 0.077110 BFGS: 1755 17:24:56 1.452211 0.076889 BFGS: 1756 17:24:56 1.442884 0.076669 BFGS: 1757 17:24:56 1.433590 0.076450 BFGS: 1758 17:24:56 1.424328 0.076230 BFGS: 1759 17:24:57 1.415099 0.076010 BFGS: 1760 17:24:57 1.405902 0.075791 BFGS: 1761 17:24:57 1.396737 0.075572 BFGS: 1762 17:24:57 1.387605 0.075353 BFGS: 1763 17:24:57 1.378505 0.075134 BFGS: 1764 17:24:57 1.369438 0.074915 BFGS: 1765 17:24:57 1.360403 0.074696 BFGS: 1766 17:24:57 1.351400 0.074478 BFGS: 1767 17:24:57 1.342429 0.074260 BFGS: 1768 17:24:57 1.333490 0.074041 BFGS: 1769 17:24:57 1.324584 0.073823 BFGS: 1770 17:24:57 1.315709 0.073605 BFGS: 1771 17:24:57 1.306866 0.073387 BFGS: 1772 17:24:57 1.298056 0.073170 BFGS: 1773 17:24:57 1.289277 0.072952 BFGS: 1774 17:24:57 1.280530 0.072735 BFGS: 1775 17:24:57 1.271815 0.072517 BFGS: 1776 17:24:57 1.263132 0.072300 BFGS: 1777 17:24:57 1.254481 0.072083 BFGS: 1778 17:24:57 1.245862 0.071866 BFGS: 1779 17:24:58 1.237274 0.071649 BFGS: 1780 17:24:58 1.228718 0.071432 BFGS: 1781 17:24:58 1.220193 0.071215 BFGS: 1782 17:24:58 1.211700 0.070998 BFGS: 1783 17:24:58 1.203239 0.070781 BFGS: 1784 17:24:58 1.194809 0.070565 BFGS: 1785 17:24:58 1.186411 0.070348 BFGS: 1786 17:24:58 1.178044 0.070132 BFGS: 1787 17:24:58 1.169709 0.069916 BFGS: 1788 17:24:58 1.161405 0.069699 BFGS: 1789 17:24:58 1.153133 0.069483 BFGS: 1790 17:24:58 1.144892 0.069267 BFGS: 1791 17:24:58 1.136682 0.069051 BFGS: 1792 17:24:58 1.128503 0.068835 BFGS: 1793 17:24:58 1.120356 0.068619 BFGS: 1794 17:24:58 1.112240 0.068403 BFGS: 1795 17:24:58 1.104155 0.068187 BFGS: 1796 17:24:58 1.096101 0.067971 BFGS: 1797 17:24:58 1.088079 0.067755 BFGS: 1798 17:24:58 1.080087 0.067539 BFGS: 1799 17:24:58 1.072127 0.067323 BFGS: 1800 17:24:58 1.064197 0.067108 BFGS: 1801 17:24:58 1.056299 0.066892 BFGS: 1802 17:24:58 1.048432 0.066676 BFGS: 1803 17:24:58 1.040595 0.066460 BFGS: 1804 17:24:58 1.032790 0.066245 BFGS: 1805 17:24:58 1.025015 0.066029 BFGS: 1806 17:24:58 1.017271 0.065814 BFGS: 1807 17:24:58 1.009558 0.065598 BFGS: 1808 17:24:59 1.001876 0.065382 BFGS: 1809 17:24:59 0.994225 0.065167 BFGS: 1810 17:24:59 0.986604 0.064951 BFGS: 1811 17:24:59 0.979015 0.064735 BFGS: 1812 17:24:59 0.971455 0.064520 BFGS: 1813 17:24:59 0.963927 0.064304 BFGS: 1814 17:24:59 0.956429 0.064089 BFGS: 1815 17:24:59 0.948962 0.063873 BFGS: 1816 17:24:59 0.941525 0.063657 BFGS: 1817 17:24:59 0.934119 0.063442 BFGS: 1818 17:24:59 0.926744 0.063226 BFGS: 1819 17:24:59 0.919399 0.063010 BFGS: 1820 17:24:59 0.912084 0.062795 BFGS: 1821 17:24:59 0.904800 0.062579 BFGS: 1822 17:24:59 0.897547 0.062363 BFGS: 1823 17:24:59 0.890324 0.062147 BFGS: 1824 17:24:59 0.883131 0.061931 BFGS: 1825 17:24:59 0.875969 0.061715 BFGS: 1826 17:24:59 0.868837 0.061499 BFGS: 1827 17:24:59 0.861735 0.061284 BFGS: 1828 17:24:59 0.854664 0.061067 BFGS: 1829 17:24:59 0.847623 0.060851 BFGS: 1830 17:24:59 0.840612 0.060635 BFGS: 1831 17:25:00 0.833631 0.060419 BFGS: 1832 17:25:00 0.826681 0.060203 BFGS: 1833 17:25:00 0.819761 0.059987 BFGS: 1834 17:25:00 0.812871 0.059770 BFGS: 1835 17:25:00 0.806011 0.059554 BFGS: 1836 17:25:00 0.799181 0.059338 BFGS: 1837 17:25:00 0.792381 0.059121 BFGS: 1838 17:25:00 0.785612 0.058904 BFGS: 1839 17:25:00 0.778872 0.058688 BFGS: 1840 17:25:00 0.772163 0.058471 BFGS: 1841 17:25:00 0.765483 0.058254 BFGS: 1842 17:25:00 0.758834 0.058037 BFGS: 1843 17:25:00 0.752214 0.057820 BFGS: 1844 17:25:00 0.745625 0.057603 BFGS: 1845 17:25:00 0.739065 0.057386 BFGS: 1846 17:25:00 0.732536 0.057169 BFGS: 1847 17:25:00 0.726036 0.056952 BFGS: 1848 17:25:00 0.719566 0.056734 BFGS: 1849 17:25:00 0.713126 0.056517 BFGS: 1850 17:25:00 0.706716 0.056299 BFGS: 1851 17:25:00 0.700336 0.056082 BFGS: 1852 17:25:00 0.693985 0.055864 BFGS: 1853 17:25:00 0.687665 0.055646 BFGS: 1854 17:25:00 0.681373 0.055377 BFGS: 1855 17:25:00 0.675112 0.055100 BFGS: 1856 17:25:00 0.668882 0.054823 BFGS: 1857 17:25:00 0.662682 0.054546 BFGS: 1858 17:25:00 0.656512 0.054270 BFGS: 1859 17:25:01 0.650373 0.053994 BFGS: 1860 17:25:01 0.644264 0.053719 BFGS: 1861 17:25:01 0.638185 0.053444 BFGS: 1862 17:25:01 0.632136 0.053170 BFGS: 1863 17:25:01 0.626118 0.052896 BFGS: 1864 17:25:01 0.620130 0.052623 BFGS: 1865 17:25:01 0.614173 0.052350 BFGS: 1866 17:25:01 0.608245 0.052078 BFGS: 1867 17:25:01 0.602348 0.051806 BFGS: 1868 17:25:01 0.596480 0.051535 BFGS: 1869 17:25:01 0.590643 0.051264 BFGS: 1870 17:25:01 0.584836 0.050993 BFGS: 1871 17:25:01 0.579059 0.050723 BFGS: 1872 17:25:01 0.573312 0.050453 BFGS: 1873 17:25:01 0.567595 0.050184 BFGS: 1874 17:25:01 0.561908 0.049915 BFGS: 1875 17:25:01 0.556251 0.049646 BFGS: 1876 17:25:01 0.550624 0.049378 BFGS: 1877 17:25:01 0.545027 0.049110 BFGS: 1878 17:25:01 0.539460 0.048843 BFGS: 1879 17:25:01 0.533923 0.048576 BFGS: 1880 17:25:02 0.528415 0.048309 BFGS: 1881 17:25:02 0.522937 0.048043 BFGS: 1882 17:25:02 0.517490 0.047777 BFGS: 1883 17:25:02 0.512071 0.047512 BFGS: 1884 17:25:02 0.506683 0.047246 BFGS: 1885 17:25:02 0.501325 0.046981 BFGS: 1886 17:25:02 0.495996 0.046717 BFGS: 1887 17:25:02 0.490697 0.046453 BFGS: 1888 17:25:02 0.485427 0.046189 BFGS: 1889 17:25:02 0.480188 0.045925 BFGS: 1890 17:25:02 0.474977 0.045662 BFGS: 1891 17:25:02 0.469797 0.045399 BFGS: 1892 17:25:02 0.464646 0.045137 BFGS: 1893 17:25:02 0.459525 0.044874 BFGS: 1894 17:25:02 0.454433 0.044613 BFGS: 1895 17:25:02 0.449371 0.044351 BFGS: 1896 17:25:02 0.444338 0.044090 BFGS: 1897 17:25:02 0.439335 0.043829 BFGS: 1898 17:25:02 0.434361 0.043568 BFGS: 1899 17:25:02 0.429417 0.043307 BFGS: 1900 17:25:02 0.424502 0.043047 BFGS: 1901 17:25:02 0.419616 0.042787 BFGS: 1902 17:25:02 0.414760 0.042528 BFGS: 1903 17:25:02 0.409934 0.042269 BFGS: 1904 17:25:02 0.405136 0.042010 BFGS: 1905 17:25:02 0.400368 0.041751 BFGS: 1906 17:25:02 0.395630 0.041492 BFGS: 1907 17:25:03 0.390920 0.041234 BFGS: 1908 17:25:03 0.386240 0.040976 BFGS: 1909 17:25:03 0.381589 0.040719 BFGS: 1910 17:25:03 0.376967 0.040461 BFGS: 1911 17:25:03 0.372375 0.040204 BFGS: 1912 17:25:03 0.367812 0.039947 BFGS: 1913 17:25:03 0.363278 0.039690 BFGS: 1914 17:25:03 0.358773 0.039434 BFGS: 1915 17:25:03 0.354297 0.039178 BFGS: 1916 17:25:03 0.349850 0.038922 BFGS: 1917 17:25:03 0.345433 0.038666 BFGS: 1918 17:25:03 0.341044 0.038411 BFGS: 1919 17:25:03 0.336685 0.038156 BFGS: 1920 17:25:03 0.332354 0.037901 BFGS: 1921 17:25:03 0.328053 0.037646 BFGS: 1922 17:25:03 0.323780 0.037391 BFGS: 1923 17:25:03 0.319537 0.037137 BFGS: 1924 17:25:03 0.315323 0.036883 BFGS: 1925 17:25:03 0.311137 0.036629 BFGS: 1926 17:25:03 0.306980 0.036376 BFGS: 1927 17:25:03 0.302853 0.036122 BFGS: 1928 17:25:03 0.298754 0.035869 BFGS: 1929 17:25:03 0.294684 0.035616 BFGS: 1930 17:25:03 0.290643 0.035364 BFGS: 1931 17:25:03 0.286630 0.035111 BFGS: 1932 17:25:03 0.282647 0.034859 BFGS: 1933 17:25:03 0.278692 0.034607 BFGS: 1934 17:25:04 0.274766 0.034355 BFGS: 1935 17:25:04 0.270869 0.034103 BFGS: 1936 17:25:04 0.267000 0.033852 BFGS: 1937 17:25:04 0.263161 0.033600 BFGS: 1938 17:25:04 0.259349 0.033349 BFGS: 1939 17:25:04 0.255567 0.033098 BFGS: 1940 17:25:04 0.251813 0.032848 BFGS: 1941 17:25:04 0.248088 0.032597 BFGS: 1942 17:25:04 0.244392 0.032347 BFGS: 1943 17:25:04 0.240724 0.032097 BFGS: 1944 17:25:04 0.237084 0.031847 BFGS: 1945 17:25:04 0.233473 0.031597 BFGS: 1946 17:25:04 0.229891 0.031347 BFGS: 1947 17:25:04 0.226337 0.031098 BFGS: 1948 17:25:04 0.222812 0.030849 BFGS: 1949 17:25:04 0.219315 0.030600 BFGS: 1950 17:25:04 0.215847 0.030351 BFGS: 1951 17:25:04 0.212407 0.030102 BFGS: 1952 17:25:04 0.208995 0.029854 BFGS: 1953 17:25:04 0.205612 0.029606 BFGS: 1954 17:25:04 0.202258 0.029357 BFGS: 1955 17:25:04 0.198931 0.029110 BFGS: 1956 17:25:04 0.195633 0.028862 BFGS: 1957 17:25:04 0.192364 0.028614 BFGS: 1958 17:25:04 0.189122 0.028367 BFGS: 1959 17:25:04 0.185909 0.028119 BFGS: 1960 17:25:04 0.182724 0.027872 BFGS: 1961 17:25:04 0.179568 0.027625 BFGS: 1962 17:25:04 0.176439 0.027379 BFGS: 1963 17:25:05 0.173339 0.027132 BFGS: 1964 17:25:05 0.170267 0.026886 BFGS: 1965 17:25:05 0.167224 0.026639 BFGS: 1966 17:25:05 0.164208 0.026393 BFGS: 1967 17:25:05 0.161221 0.026147 BFGS: 1968 17:25:05 0.158261 0.025901 BFGS: 1969 17:25:05 0.155330 0.025656 BFGS: 1970 17:25:05 0.152427 0.025410 BFGS: 1971 17:25:05 0.149552 0.025165 BFGS: 1972 17:25:05 0.146705 0.024920 BFGS: 1973 17:25:05 0.143885 0.024675 BFGS: 1974 17:25:05 0.141094 0.024430 BFGS: 1975 17:25:05 0.138331 0.024185 BFGS: 1976 17:25:05 0.135596 0.023941 BFGS: 1977 17:25:05 0.132889 0.023696 BFGS: 1978 17:25:05 0.130210 0.023452 BFGS: 1979 17:25:05 0.127558 0.023208 BFGS: 1980 17:25:05 0.124935 0.022964 BFGS: 1981 17:25:05 0.122339 0.022720 BFGS: 1982 17:25:05 0.119772 0.022476 BFGS: 1983 17:25:05 0.117232 0.022233 BFGS: 1984 17:25:06 0.114720 0.021989 BFGS: 1985 17:25:06 0.112235 0.021746 BFGS: 1986 17:25:06 0.109779 0.021503 BFGS: 1987 17:25:06 0.107350 0.021260 BFGS: 1988 17:25:06 0.104949 0.021017 BFGS: 1989 17:25:06 0.102576 0.020774 BFGS: 1990 17:25:06 0.100230 0.020532 BFGS: 1991 17:25:06 0.097912 0.020290 BFGS: 1992 17:25:06 0.095622 0.020047 BFGS: 1993 17:25:06 0.093359 0.019805 BFGS: 1994 17:25:06 0.091124 0.019563 BFGS: 1995 17:25:06 0.088917 0.019321 BFGS: 1996 17:25:06 0.086737 0.019080 BFGS: 1997 17:25:06 0.084585 0.018838 BFGS: 1998 17:25:06 0.082460 0.018596 BFGS: 1999 17:25:06 0.080363 0.018355 BFGS: 2000 17:25:06 0.078293 0.018114 BFGS: 2001 17:25:06 0.076251 0.017873 BFGS: 2002 17:25:06 0.074236 0.017632 BFGS: 2003 17:25:06 0.072249 0.017391 BFGS: 2004 17:25:06 0.070289 0.017151 BFGS: 2005 17:25:06 0.068356 0.016910 BFGS: 2006 17:25:06 0.066451 0.016670 BFGS: 2007 17:25:06 0.064573 0.016429 BFGS: 2008 17:25:06 0.062723 0.016189 BFGS: 2009 17:25:06 0.060900 0.015949 BFGS: 2010 17:25:07 0.059104 0.015709 BFGS: 2011 17:25:07 0.057336 0.015470 BFGS: 2012 17:25:07 0.055595 0.015230 BFGS: 2013 17:25:07 0.053881 0.014990 BFGS: 2014 17:25:07 0.052194 0.014751 BFGS: 2015 17:25:07 0.050535 0.014512 BFGS: 2016 17:25:07 0.048903 0.014273 BFGS: 2017 17:25:07 0.047297 0.014034 BFGS: 2018 17:25:07 0.045720 0.013795 BFGS: 2019 17:25:07 0.044169 0.013556 BFGS: 2020 17:25:07 0.042645 0.013318 BFGS: 2021 17:25:07 0.041149 0.013079 BFGS: 2022 17:25:07 0.039679 0.012841 BFGS: 2023 17:25:07 0.038237 0.012602 BFGS: 2024 17:25:07 0.036821 0.012364 BFGS: 2025 17:25:07 0.035433 0.012126 BFGS: 2026 17:25:07 0.034072 0.011889 BFGS: 2027 17:25:07 0.032738 0.011651 BFGS: 2028 17:25:07 0.031430 0.011413 BFGS: 2029 17:25:07 0.030150 0.011176 BFGS: 2030 17:25:07 0.028896 0.010938 BFGS: 2031 17:25:07 0.027670 0.010701 BFGS: 2032 17:25:07 0.026470 0.010464 BFGS: 2033 17:25:07 0.025297 0.010227 BFGS: 2034 17:25:07 0.024151 0.009990 BFGS: 2035 17:25:07 0.023032 0.009754 BFGS: 2036 17:25:07 0.021940 0.009517 BFGS: 2037 17:25:08 0.020874 0.009281 BFGS: 2038 17:25:08 0.019835 0.009044 BFGS: 2039 17:25:08 0.018823 0.008808 BFGS: 2040 17:25:08 0.017838 0.008572 BFGS: 2041 17:25:08 0.016880 0.008336 BFGS: 2042 17:25:08 0.015948 0.008100 BFGS: 2043 17:25:08 0.015043 0.007865 BFGS: 2044 17:25:08 0.014164 0.007629 BFGS: 2045 17:25:08 0.013312 0.007394 BFGS: 2046 17:25:08 0.012487 0.007159 BFGS: 2047 17:25:08 0.011688 0.006923 BFGS: 2048 17:25:08 0.010916 0.006689 BFGS: 2049 17:25:08 0.010171 0.006454 BFGS: 2050 17:25:08 0.009452 0.006219 BFGS: 2051 17:25:08 0.008759 0.005985 BFGS: 2052 17:25:08 0.008094 0.005750 BFGS: 2053 17:25:08 0.007454 0.005516 BFGS: 2054 17:25:08 0.006841 0.005282 BFGS: 2055 17:25:08 0.006255 0.005049 BFGS: 2056 17:25:08 0.005695 0.004815 BFGS: 2057 17:25:08 0.005161 0.004582 BFGS: 2058 17:25:08 0.004654 0.004348 BFGS: 2059 17:25:08 0.004173 0.004116 BFGS: 2060 17:25:08 0.003718 0.003883 BFGS: 2061 17:25:08 0.003290 0.003651 BFGS: 2062 17:25:08 0.002888 0.003418 BFGS: 2063 17:25:08 0.002512 0.003187 BFGS: 2064 17:25:09 0.002163 0.002955 BFGS: 2065 17:25:09 0.001840 0.002725 BFGS: 2066 17:25:09 0.001543 0.002494 BFGS: 2067 17:25:09 0.001272 0.002265 BFGS: 2068 17:25:09 0.001028 0.002036 BFGS: 2069 17:25:09 0.000809 0.001808 BFGS: 2070 17:25:09 0.000617 0.001582 BFGS: 2071 17:25:09 0.000451 0.001358 BFGS: 2072 17:25:09 0.000312 0.001138 BFGS: 2073 17:25:09 0.000198 0.000923 BFGS: 2074 17:25:09 0.000110 0.000718 BFGS: 2075 17:25:09 0.000049 0.000535 BFGS: 2076 17:25:09 0.000013 0.000403 BFGS: 2077 17:25:09 0.000001 0.000152 BFGS: 2078 17:25:09 0.000000 0.000141 BFGS: 2079 17:25:09 0.000000 0.000107 BFGS: 2080 17:25:09 0.000000 0.000040 BFGS: 2081 17:25:09 0.000000 0.000000 Minimization converged after 2081 steps. Maximum force component: 1.7818488152421323e-09 eV/Angstrom Maximum stress component: 2.446296443932388e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['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', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[1.54072664e-33 1.54074396e-33 1.54074396e-33] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [1.92202599e-01 1.92202599e-01 1.92202599e-01] [8.07797401e-01 8.07797401e-01 1.92202599e-01] [8.07797401e-01 1.92202599e-01 8.07797401e-01] [1.92202599e-01 8.07797401e-01 8.07797401e-01] [6.92202599e-01 6.92202599e-01 6.92202599e-01] [3.07797401e-01 3.07797401e-01 6.92202599e-01] [3.07797401e-01 6.92202599e-01 3.07797401e-01] [6.92202599e-01 3.07797401e-01 3.07797401e-01] [6.87149481e-02 6.87149481e-02 4.31277601e-01] [9.31285052e-01 9.31285052e-01 4.31277601e-01] [9.31285052e-01 6.87149481e-02 5.68722399e-01] [6.87149481e-02 9.31285052e-01 5.68722399e-01] [4.31277601e-01 6.87149481e-02 6.87149481e-02] [4.31277601e-01 9.31285052e-01 9.31285052e-01] [5.68722399e-01 9.31285052e-01 6.87149481e-02] [5.68722399e-01 6.87149481e-02 9.31285052e-01] [6.87149481e-02 4.31277601e-01 6.87149481e-02] [9.31285052e-01 4.31277601e-01 9.31285052e-01] [6.87149481e-02 5.68722399e-01 9.31285052e-01] [9.31285052e-01 5.68722399e-01 6.87149481e-02] [5.68714948e-01 5.68714948e-01 9.31277601e-01] [4.31285052e-01 4.31285052e-01 9.31277601e-01] [4.31285052e-01 5.68714948e-01 6.87223991e-02] [5.68714948e-01 4.31285052e-01 6.87223991e-02] [9.31277601e-01 5.68714948e-01 5.68714948e-01] [9.31277601e-01 4.31285052e-01 4.31285052e-01] [6.87223991e-02 4.31285052e-01 5.68714948e-01] [6.87223991e-02 5.68714948e-01 4.31285052e-01] [5.68714948e-01 9.31277601e-01 5.68714948e-01] [4.31285052e-01 9.31277601e-01 4.31285052e-01] [5.68714948e-01 6.87223991e-02 4.31285052e-01] [4.31285052e-01 6.87223991e-02 5.68714948e-01] [3.95909799e-01 9.07864786e-01 7.41585810e-01] [6.04090201e-01 9.21352138e-02 7.41585810e-01] [6.04090201e-01 9.07864786e-01 2.58414190e-01] [3.95909799e-01 9.21352138e-02 2.58414190e-01] [7.41585810e-01 3.95909799e-01 9.07864786e-01] [7.41585810e-01 6.04090201e-01 9.21352138e-02] [2.58414190e-01 6.04090201e-01 9.07864786e-01] [2.58414190e-01 3.95909799e-01 9.21352138e-02] [9.07864786e-01 7.41585810e-01 3.95909799e-01] [9.21352138e-02 7.41585810e-01 6.04090201e-01] [9.07864786e-01 2.58414190e-01 6.04090201e-01] [9.21352138e-02 2.58414190e-01 3.95909799e-01] [9.07864786e-01 3.95909799e-01 7.41585810e-01] [9.21352138e-02 6.04090201e-01 7.41585810e-01] [9.07864786e-01 6.04090201e-01 2.58414190e-01] [9.21352138e-02 3.95909799e-01 2.58414190e-01] [3.95909799e-01 7.41585810e-01 9.07864786e-01] [6.04090201e-01 7.41585810e-01 9.21352138e-02] [6.04090201e-01 2.58414190e-01 9.07864786e-01] [3.95909799e-01 2.58414190e-01 9.21352138e-02] [7.41585810e-01 9.07864786e-01 3.95909799e-01] [7.41585810e-01 9.21352138e-02 6.04090201e-01] [2.58414190e-01 9.07864786e-01 6.04090201e-01] [2.58414190e-01 9.21352138e-02 3.95909799e-01] [8.95909799e-01 4.07864786e-01 2.41585810e-01] [1.04090201e-01 5.92135214e-01 2.41585810e-01] [1.04090201e-01 4.07864786e-01 7.58414190e-01] [8.95909799e-01 5.92135214e-01 7.58414190e-01] [2.41585810e-01 8.95909799e-01 4.07864786e-01] [2.41585810e-01 1.04090201e-01 5.92135214e-01] [7.58414190e-01 1.04090201e-01 4.07864786e-01] [7.58414190e-01 8.95909799e-01 5.92135214e-01] [4.07864786e-01 2.41585810e-01 8.95909799e-01] [5.92135214e-01 2.41585810e-01 1.04090201e-01] [4.07864786e-01 7.58414190e-01 1.04090201e-01] [5.92135214e-01 7.58414190e-01 8.95909799e-01] [4.07864786e-01 8.95909799e-01 2.41585810e-01] [5.92135214e-01 1.04090201e-01 2.41585810e-01] [4.07864786e-01 1.04090201e-01 7.58414190e-01] [5.92135214e-01 8.95909799e-01 7.58414190e-01] [8.95909799e-01 2.41585810e-01 4.07864786e-01] [1.04090201e-01 2.41585810e-01 5.92135214e-01] [1.04090201e-01 7.58414190e-01 4.07864786e-01] [8.95909799e-01 7.58414190e-01 5.92135214e-01] [2.41585810e-01 4.07864786e-01 8.95909799e-01] [2.41585810e-01 5.92135214e-01 1.04090201e-01] [7.58414190e-01 4.07864786e-01 1.04090201e-01] [7.58414190e-01 5.92135214e-01 8.95909799e-01]] cellpar = Cell([[28.298699065423047, 4.443808654550916e-31, 7.088401343926569e-32], [1.2341230416658034e-31, 28.298699065423047, 7.750839541991424e-18], [-6.277113693404208e-32, 7.750839541992305e-18, 28.298699065423047]]) forces = [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 1.78184882e-09 1.78184882e-09 4.88037426e-28] [-1.78184882e-09 -1.78184882e-09 -4.88037426e-28] [-1.78184882e-09 1.78184882e-09 4.88037426e-28] [ 1.78184882e-09 -1.78184882e-09 -4.88037426e-28] [ 1.39699770e-41 1.78184882e-09 1.78184882e-09] [-1.39699770e-41 -1.78184882e-09 -1.78184882e-09] [-5.03495484e-42 -1.78184882e-09 1.78184882e-09] [ 5.03495484e-42 1.78184882e-09 -1.78184882e-09] [ 1.78184882e-09 4.88037426e-28 1.78184882e-09] [-1.78184882e-09 -4.88037426e-28 -1.78184882e-09] [ 1.78184882e-09 -4.88037426e-28 -1.78184882e-09] [-1.78184882e-09 4.88037426e-28 1.78184882e-09] [ 1.78184882e-09 1.78184882e-09 4.88037426e-28] [-1.78184882e-09 -1.78184882e-09 -4.88037426e-28] [-1.78184882e-09 1.78184882e-09 4.88037426e-28] [ 1.78184882e-09 -1.78184882e-09 -4.88037426e-28] [ 8.76887909e-42 1.78184882e-09 1.78184882e-09] [-8.76887909e-42 -1.78184882e-09 -1.78184882e-09] [-1.17234183e-41 -1.78184882e-09 1.78184882e-09] [ 1.17234183e-41 1.78184882e-09 -1.78184882e-09] [ 1.78184882e-09 4.88037426e-28 1.78184882e-09] [-1.78184882e-09 -4.88037426e-28 -1.78184882e-09] [ 1.78184882e-09 -4.88037426e-28 -1.78184882e-09] [-1.78184882e-09 4.88037426e-28 1.78184882e-09] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00]] stress = [-2.44629644e-12 -2.44629644e-12 -2.44629644e-12 -4.80519380e-30 2.37531132e-60 -4.00105893e-61] energy per atom = 1.8955027249697796e-17 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0