element(s): ['Si'] AFLOW prototype label: A_hP58_164_2d3i3j Parameter names: ['a', 'c/a', 'z1', 'z2', 'x3', 'z3', 'x4', 'z4', 'x5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['10.017', '1.6093441', '0.42717347', '0.57149774', '0.13353688', '0.49951896', '0.20865981', '0.62176631', '0.20852652', '0.37695719', '0.38057577', '0.3795477', '0.29513767', '0.00061200299', '0.24460663', '0.17356382', '0.33353138', '0.4211924', '0.058121322'] model name: Sim_LAMMPS_Vashishta_BroughtonMeliVashishta_1997_SiO__SM_422553794879_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0.33333333 0.66666667 0.42717347] [0.33333333 0.66666667 0.57149774] [0.13353688 0.86646312 0.49951896] [0.20865981 0.79134019 0.62176631] [0.20852652 0.79147348 0.37695719] [0.6204523 0.00102807 0.29513767] [0.75539337 0.75600537 0.17356382] [0.5788076 0.91233898 0.05812132]] spacegroup = 164 cell = [[10.017, 0, 0], [-5.0085, 8.6749764697087, 0], [0, 0, 16.1208]] ========================================= Step Time Energy fmax BFGS: 0 15:43:01 192.612477 4.198326 BFGS: 1 15:43:01 191.822389 4.179103 BFGS: 2 15:43:02 191.043104 4.161239 BFGS: 3 15:43:02 190.274147 4.143484 BFGS: 4 15:43:02 189.514827 4.126261 BFGS: 5 15:43:03 188.764405 4.109507 BFGS: 6 15:43:03 188.022081 4.093282 BFGS: 7 15:43:04 187.287190 4.077143 BFGS: 8 15:43:05 186.559380 4.061038 BFGS: 9 15:43:06 185.838352 4.044969 BFGS: 10 15:43:07 185.123835 4.028936 BFGS: 11 15:43:07 184.415575 4.013140 BFGS: 12 15:43:08 183.713317 3.997512 BFGS: 13 15:43:09 183.016779 3.981955 BFGS: 14 15:43:09 182.325573 3.966437 BFGS: 15 15:43:10 181.639513 3.951053 BFGS: 16 15:43:11 180.958421 3.936147 BFGS: 17 15:43:11 180.282085 3.921612 BFGS: 18 15:43:13 179.610363 3.907107 BFGS: 19 15:43:14 178.943131 3.892633 BFGS: 20 15:43:15 178.280272 3.878189 BFGS: 21 15:43:16 177.621643 3.864159 BFGS: 22 15:43:17 176.967086 3.850199 BFGS: 23 15:43:17 176.316455 3.836786 BFGS: 24 15:43:17 175.669582 3.823539 BFGS: 25 15:43:18 175.026387 3.810314 BFGS: 26 15:43:18 174.386795 3.797111 BFGS: 27 15:43:18 173.750737 3.783930 BFGS: 28 15:43:18 173.118147 3.770773 BFGS: 29 15:43:19 172.488963 3.757643 BFGS: 30 15:43:19 171.863116 3.744662 BFGS: 31 15:43:19 171.240537 3.731736 BFGS: 32 15:43:19 170.621171 3.718835 BFGS: 33 15:43:20 170.004967 3.705959 BFGS: 34 15:43:20 169.391878 3.693110 BFGS: 35 15:43:20 168.781858 3.680286 BFGS: 36 15:43:21 168.174863 3.667490 BFGS: 37 15:43:22 167.570853 3.654721 BFGS: 38 15:43:23 166.969787 3.641979 BFGS: 39 15:43:23 166.371636 3.629265 BFGS: 40 15:43:24 165.776362 3.616614 BFGS: 41 15:43:25 165.183929 3.604027 BFGS: 42 15:43:25 164.594295 3.591593 BFGS: 43 15:43:26 164.007401 3.579287 BFGS: 44 15:43:26 163.423212 3.567120 BFGS: 45 15:43:27 162.841707 3.554983 BFGS: 46 15:43:28 162.262856 3.542877 BFGS: 47 15:43:28 161.686633 3.530801 BFGS: 48 15:43:28 161.112999 3.518922 BFGS: 49 15:43:29 160.541898 3.507122 BFGS: 50 15:43:29 159.973293 3.495589 BFGS: 51 15:43:30 159.407142 3.484153 BFGS: 52 15:43:30 158.843425 3.472747 BFGS: 53 15:43:31 158.282120 3.461373 BFGS: 54 15:43:31 157.723207 3.450029 BFGS: 55 15:43:32 157.166665 3.438715 BFGS: 56 15:43:33 156.612474 3.427431 BFGS: 57 15:43:33 156.060616 3.416177 BFGS: 58 15:43:34 155.511072 3.404953 BFGS: 59 15:43:34 154.963825 3.393759 BFGS: 60 15:43:35 154.418857 3.382594 BFGS: 61 15:43:36 153.876151 3.371459 BFGS: 62 15:43:36 153.335691 3.360353 BFGS: 63 15:43:37 152.797461 3.349291 BFGS: 64 15:43:38 152.261444 3.338294 BFGS: 65 15:43:38 151.727626 3.327325 BFGS: 66 15:43:39 151.195994 3.316386 BFGS: 67 15:43:39 150.666533 3.305475 BFGS: 68 15:43:40 150.139229 3.294641 BFGS: 69 15:43:40 149.614051 3.284017 BFGS: 70 15:43:40 149.090987 3.273423 BFGS: 71 15:43:41 148.570021 3.262857 BFGS: 72 15:43:41 148.051142 3.252320 BFGS: 73 15:43:41 147.534337 3.241811 BFGS: 74 15:43:43 147.019593 3.231330 BFGS: 75 15:43:43 146.506897 3.220877 BFGS: 76 15:43:44 145.996238 3.210452 BFGS: 77 15:43:44 145.487602 3.200130 BFGS: 78 15:43:44 144.980969 3.189953 BFGS: 79 15:43:45 144.476330 3.179807 BFGS: 80 15:43:45 143.973658 3.169924 BFGS: 81 15:43:45 143.472932 3.160067 BFGS: 82 15:43:46 142.974142 3.150235 BFGS: 83 15:43:47 142.477276 3.140430 BFGS: 84 15:43:47 141.982324 3.130649 BFGS: 85 15:43:48 141.489275 3.120894 BFGS: 86 15:43:48 140.998120 3.111163 BFGS: 87 15:43:49 140.508849 3.101458 BFGS: 88 15:43:50 140.021450 3.091777 BFGS: 89 15:43:50 139.535915 3.082176 BFGS: 90 15:43:51 139.052224 3.072741 BFGS: 91 15:43:51 138.570368 3.063330 BFGS: 92 15:43:51 138.090341 3.053943 BFGS: 93 15:43:51 137.612131 3.044579 BFGS: 94 15:43:51 137.135731 3.035238 BFGS: 95 15:43:52 136.661132 3.025921 BFGS: 96 15:43:52 136.188324 3.016627 BFGS: 97 15:43:52 135.717299 3.007355 BFGS: 98 15:43:53 135.248048 2.998107 BFGS: 99 15:43:53 134.780564 2.988882 BFGS: 100 15:43:53 134.314837 2.979679 BFGS: 101 15:43:54 133.850861 2.970499 BFGS: 102 15:43:54 133.388626 2.961341 BFGS: 103 15:43:54 132.928125 2.952206 BFGS: 104 15:43:55 132.469350 2.943094 BFGS: 105 15:43:55 132.012294 2.934003 BFGS: 106 15:43:55 131.556948 2.924935 BFGS: 107 15:43:55 131.103306 2.915889 BFGS: 108 15:43:55 130.651360 2.906865 BFGS: 109 15:43:55 130.201102 2.897863 BFGS: 110 15:43:55 129.752526 2.888882 BFGS: 111 15:43:55 129.305625 2.879924 BFGS: 112 15:43:55 128.860391 2.870987 BFGS: 113 15:43:55 128.416818 2.862071 BFGS: 114 15:43:55 127.974899 2.853177 BFGS: 115 15:43:55 127.534627 2.844305 BFGS: 116 15:43:55 127.095996 2.835453 BFGS: 117 15:43:55 126.658999 2.826623 BFGS: 118 15:43:55 126.223630 2.817814 BFGS: 119 15:43:56 125.789882 2.809026 BFGS: 120 15:43:56 125.357749 2.800259 BFGS: 121 15:43:56 124.927225 2.791513 BFGS: 122 15:43:56 124.498304 2.782788 BFGS: 123 15:43:56 124.070980 2.774083 BFGS: 124 15:43:56 123.645247 2.765400 BFGS: 125 15:43:56 123.221100 2.756737 BFGS: 126 15:43:56 122.798533 2.748096 BFGS: 127 15:43:56 122.377541 2.739474 BFGS: 128 15:43:56 121.958117 2.730873 BFGS: 129 15:43:56 121.540257 2.722293 BFGS: 130 15:43:56 121.123953 2.713732 BFGS: 131 15:43:57 120.709202 2.705192 BFGS: 132 15:43:57 120.295998 2.696671 BFGS: 133 15:43:57 119.884335 2.688171 BFGS: 134 15:43:57 119.474208 2.679690 BFGS: 135 15:43:58 119.065613 2.671229 BFGS: 136 15:43:58 118.658543 2.662787 BFGS: 137 15:43:58 118.252995 2.654366 BFGS: 138 15:43:58 117.848963 2.645963 BFGS: 139 15:43:58 117.446441 2.637580 BFGS: 140 15:43:58 117.045427 2.629217 BFGS: 141 15:43:58 116.645914 2.620873 BFGS: 142 15:43:59 116.247899 2.612547 BFGS: 143 15:43:59 115.851376 2.604241 BFGS: 144 15:43:59 115.456341 2.595954 BFGS: 145 15:43:59 115.062790 2.587686 BFGS: 146 15:43:59 114.670718 2.579437 BFGS: 147 15:43:59 114.280122 2.571207 BFGS: 148 15:44:00 113.890996 2.562995 BFGS: 149 15:44:00 113.503337 2.554802 BFGS: 150 15:44:00 113.117141 2.546628 BFGS: 151 15:44:00 112.732403 2.538472 BFGS: 152 15:44:00 112.349121 2.530335 BFGS: 153 15:44:01 111.967289 2.522216 BFGS: 154 15:44:01 111.586904 2.514115 BFGS: 155 15:44:01 111.207962 2.506033 BFGS: 156 15:44:01 110.830460 2.497969 BFGS: 157 15:44:02 110.454394 2.489923 BFGS: 158 15:44:02 110.079760 2.481895 BFGS: 159 15:44:02 109.706555 2.473885 BFGS: 160 15:44:02 109.334776 2.465894 BFGS: 161 15:44:02 108.964418 2.457920 BFGS: 162 15:44:03 108.595479 2.449964 BFGS: 163 15:44:03 108.227956 2.442025 BFGS: 164 15:44:03 107.861839 2.434182 BFGS: 165 15:44:03 107.497115 2.426354 BFGS: 166 15:44:03 107.133782 2.418543 BFGS: 167 15:44:04 106.771836 2.410748 BFGS: 168 15:44:04 106.411276 2.402969 BFGS: 169 15:44:04 106.052097 2.395206 BFGS: 170 15:44:04 105.694298 2.387460 BFGS: 171 15:44:04 105.337874 2.379729 BFGS: 172 15:44:05 104.982825 2.372015 BFGS: 173 15:44:05 104.629141 2.364345 BFGS: 174 15:44:05 104.276750 2.356733 BFGS: 175 15:44:05 103.925615 2.349137 BFGS: 176 15:44:05 103.575734 2.341556 BFGS: 177 15:44:05 103.227105 2.333991 BFGS: 178 15:44:06 102.879724 2.326441 BFGS: 179 15:44:06 102.533591 2.318907 BFGS: 180 15:44:06 102.188703 2.311389 BFGS: 181 15:44:06 101.845058 2.303886 BFGS: 182 15:44:06 101.502656 2.296398 BFGS: 183 15:44:06 101.161493 2.288926 BFGS: 184 15:44:07 100.821568 2.281470 BFGS: 185 15:44:07 100.482881 2.274029 BFGS: 186 15:44:07 100.145429 2.266604 BFGS: 187 15:44:07 99.809210 2.259195 BFGS: 188 15:44:08 99.474225 2.251801 BFGS: 189 15:44:08 99.140470 2.244423 BFGS: 190 15:44:08 98.807945 2.237061 BFGS: 191 15:44:08 98.476649 2.229714 BFGS: 192 15:44:09 98.146581 2.222383 BFGS: 193 15:44:09 97.817739 2.215067 BFGS: 194 15:44:09 97.490122 2.207768 BFGS: 195 15:44:09 97.163729 2.200484 BFGS: 196 15:44:09 96.838560 2.193215 BFGS: 197 15:44:09 96.514613 2.185963 BFGS: 198 15:44:09 96.191888 2.178726 BFGS: 199 15:44:09 95.870383 2.171505 BFGS: 200 15:44:09 95.550092 2.164299 BFGS: 201 15:44:10 95.230983 2.157110 BFGS: 202 15:44:10 94.913047 2.149937 BFGS: 203 15:44:10 94.596270 2.142888 BFGS: 204 15:44:10 94.280631 2.135862 BFGS: 205 15:44:10 93.966128 2.128851 BFGS: 206 15:44:10 93.652761 2.121857 BFGS: 207 15:44:10 93.340528 2.114878 BFGS: 208 15:44:10 93.029429 2.107916 BFGS: 209 15:44:10 92.719464 2.100969 BFGS: 210 15:44:10 92.410631 2.094038 BFGS: 211 15:44:10 92.102931 2.087123 BFGS: 212 15:44:10 91.796364 2.080223 BFGS: 213 15:44:10 91.490927 2.073339 BFGS: 214 15:44:10 91.186622 2.066470 BFGS: 215 15:44:10 90.883448 2.059617 BFGS: 216 15:44:10 90.581404 2.052780 BFGS: 217 15:44:11 90.280490 2.045958 BFGS: 218 15:44:11 89.980706 2.039151 BFGS: 219 15:44:11 89.682051 2.032360 BFGS: 220 15:44:11 89.384525 2.025583 BFGS: 221 15:44:11 89.088127 2.018823 BFGS: 222 15:44:11 88.792847 2.012217 BFGS: 223 15:44:11 88.498641 2.005694 BFGS: 224 15:44:11 88.205504 1.999186 BFGS: 225 15:44:11 87.913434 1.992694 BFGS: 226 15:44:11 87.622433 1.986216 BFGS: 227 15:44:11 87.332499 1.979754 BFGS: 228 15:44:12 87.043631 1.973307 BFGS: 229 15:44:12 86.755828 1.966875 BFGS: 230 15:44:12 86.469090 1.960458 BFGS: 231 15:44:12 86.183417 1.954056 BFGS: 232 15:44:12 85.898807 1.947667 BFGS: 233 15:44:12 85.615253 1.941324 BFGS: 234 15:44:13 85.332717 1.935140 BFGS: 235 15:44:13 85.051173 1.928997 BFGS: 236 15:44:13 84.770622 1.922868 BFGS: 237 15:44:13 84.491063 1.916751 BFGS: 238 15:44:14 84.212496 1.910647 BFGS: 239 15:44:14 83.934921 1.904557 BFGS: 240 15:44:14 83.658339 1.898479 BFGS: 241 15:44:14 83.382748 1.892414 BFGS: 242 15:44:14 83.108151 1.886361 BFGS: 243 15:44:14 82.834546 1.880321 BFGS: 244 15:44:14 82.561933 1.874294 BFGS: 245 15:44:14 82.290246 1.868502 BFGS: 246 15:44:14 82.019337 1.862731 BFGS: 247 15:44:14 81.749202 1.856973 BFGS: 248 15:44:15 81.479839 1.851228 BFGS: 249 15:44:15 81.211248 1.845495 BFGS: 250 15:44:15 80.943428 1.839774 BFGS: 251 15:44:15 80.676378 1.834066 BFGS: 252 15:44:16 80.410098 1.828369 BFGS: 253 15:44:16 80.144587 1.822684 BFGS: 254 15:44:16 79.879842 1.817077 BFGS: 255 15:44:16 79.615820 1.811598 BFGS: 256 15:44:16 79.352502 1.806130 BFGS: 257 15:44:17 79.089888 1.800671 BFGS: 258 15:44:17 78.827976 1.795222 BFGS: 259 15:44:17 78.566767 1.789783 BFGS: 260 15:44:17 78.306259 1.784354 BFGS: 261 15:44:18 78.046451 1.778935 BFGS: 262 15:44:18 77.787345 1.773526 BFGS: 263 15:44:18 77.528939 1.768127 BFGS: 264 15:44:18 77.271234 1.762737 BFGS: 265 15:44:18 77.014229 1.757358 BFGS: 266 15:44:19 76.757926 1.751988 BFGS: 267 15:44:19 76.502323 1.746628 BFGS: 268 15:44:19 76.247423 1.741278 BFGS: 269 15:44:19 75.993225 1.735938 BFGS: 270 15:44:20 75.739730 1.730608 BFGS: 271 15:44:20 75.486939 1.725287 BFGS: 272 15:44:20 75.234853 1.719977 BFGS: 273 15:44:20 74.983473 1.714676 BFGS: 274 15:44:20 74.732799 1.709385 BFGS: 275 15:44:21 74.482834 1.704103 BFGS: 276 15:44:21 74.233579 1.698832 BFGS: 277 15:44:21 73.985034 1.693570 BFGS: 278 15:44:22 73.737202 1.688318 BFGS: 279 15:44:22 73.490084 1.683075 BFGS: 280 15:44:22 73.243681 1.677842 BFGS: 281 15:44:22 72.997996 1.672619 BFGS: 282 15:44:22 72.753030 1.667405 BFGS: 283 15:44:22 72.508786 1.662201 BFGS: 284 15:44:22 72.265264 1.657006 BFGS: 285 15:44:22 72.022467 1.651821 BFGS: 286 15:44:22 71.780398 1.646646 BFGS: 287 15:44:22 71.539057 1.641479 BFGS: 288 15:44:23 71.298449 1.636323 BFGS: 289 15:44:23 71.058574 1.631176 BFGS: 290 15:44:23 70.819435 1.626038 BFGS: 291 15:44:23 70.581034 1.620909 BFGS: 292 15:44:23 70.343374 1.615790 BFGS: 293 15:44:23 70.106458 1.610681 BFGS: 294 15:44:23 69.870287 1.605580 BFGS: 295 15:44:23 69.634864 1.600489 BFGS: 296 15:44:23 69.400192 1.595407 BFGS: 297 15:44:23 69.166273 1.590335 BFGS: 298 15:44:23 68.933110 1.585272 BFGS: 299 15:44:23 68.700706 1.580218 BFGS: 300 15:44:23 68.469062 1.575173 BFGS: 301 15:44:23 68.238185 1.570142 BFGS: 302 15:44:23 68.008090 1.565124 BFGS: 303 15:44:23 67.778787 1.560114 BFGS: 304 15:44:23 67.550279 1.555121 BFGS: 305 15:44:23 67.322567 1.550239 BFGS: 306 15:44:23 67.095656 1.545376 BFGS: 307 15:44:23 66.869549 1.540520 BFGS: 308 15:44:23 66.644247 1.535670 BFGS: 309 15:44:23 66.419753 1.530828 BFGS: 310 15:44:24 66.196069 1.525992 BFGS: 311 15:44:24 65.973197 1.521163 BFGS: 312 15:44:24 65.751139 1.516341 BFGS: 313 15:44:24 65.529898 1.511526 BFGS: 314 15:44:24 65.309476 1.506718 BFGS: 315 15:44:24 65.089874 1.501917 BFGS: 316 15:44:24 64.871094 1.497122 BFGS: 317 15:44:24 64.653139 1.492335 BFGS: 318 15:44:24 64.436010 1.487554 BFGS: 319 15:44:24 64.219709 1.482781 BFGS: 320 15:44:24 64.004238 1.478014 BFGS: 321 15:44:24 63.789598 1.473264 BFGS: 322 15:44:25 63.575790 1.468537 BFGS: 323 15:44:25 63.362816 1.463818 BFGS: 324 15:44:25 63.150678 1.459105 BFGS: 325 15:44:25 62.939378 1.454400 BFGS: 326 15:44:25 62.728913 1.449812 BFGS: 327 15:44:25 62.519273 1.445263 BFGS: 328 15:44:25 62.310462 1.440721 BFGS: 329 15:44:25 62.102474 1.436301 BFGS: 330 15:44:25 61.895300 1.431909 BFGS: 331 15:44:25 61.688943 1.427524 BFGS: 332 15:44:25 61.483401 1.423146 BFGS: 333 15:44:25 61.278673 1.418890 BFGS: 334 15:44:25 61.074742 1.414785 BFGS: 335 15:44:25 60.871606 1.410715 BFGS: 336 15:44:26 60.669246 1.406779 BFGS: 337 15:44:26 60.467652 1.402849 BFGS: 338 15:44:26 60.266823 1.398926 BFGS: 339 15:44:26 60.066753 1.395124 BFGS: 340 15:44:26 59.867426 1.391382 BFGS: 341 15:44:26 59.668839 1.387652 BFGS: 342 15:44:26 59.470981 1.383940 BFGS: 343 15:44:26 59.273847 1.380234 BFGS: 344 15:44:27 59.077436 1.376533 BFGS: 345 15:44:27 58.881749 1.372838 BFGS: 346 15:44:27 58.686785 1.369164 BFGS: 347 15:44:27 58.492543 1.365503 BFGS: 348 15:44:27 58.299024 1.361848 BFGS: 349 15:44:27 58.106226 1.358198 BFGS: 350 15:44:27 57.914151 1.354553 BFGS: 351 15:44:27 57.722799 1.350925 BFGS: 352 15:44:27 57.532164 1.347356 BFGS: 353 15:44:27 57.342244 1.343792 BFGS: 354 15:44:27 57.153039 1.340231 BFGS: 355 15:44:27 56.964549 1.336674 BFGS: 356 15:44:27 56.776773 1.333121 BFGS: 357 15:44:27 56.589711 1.329572 BFGS: 358 15:44:28 56.403361 1.326027 BFGS: 359 15:44:28 56.217722 1.322486 BFGS: 360 15:44:28 56.032795 1.318957 BFGS: 361 15:44:28 55.848574 1.315499 BFGS: 362 15:44:28 55.665054 1.312045 BFGS: 363 15:44:28 55.482234 1.308595 BFGS: 364 15:44:28 55.300113 1.305150 BFGS: 365 15:44:28 55.118689 1.301708 BFGS: 366 15:44:28 54.937961 1.298271 BFGS: 367 15:44:29 54.757927 1.294837 BFGS: 368 15:44:29 54.578585 1.291408 BFGS: 369 15:44:29 54.399934 1.287982 BFGS: 370 15:44:29 54.221971 1.284561 BFGS: 371 15:44:29 54.044694 1.281144 BFGS: 372 15:44:29 53.868102 1.277731 BFGS: 373 15:44:29 53.692192 1.274322 BFGS: 374 15:44:29 53.516963 1.270917 BFGS: 375 15:44:29 53.342412 1.267516 BFGS: 376 15:44:29 53.168537 1.264119 BFGS: 377 15:44:30 52.995335 1.260726 BFGS: 378 15:44:30 52.822805 1.257337 BFGS: 379 15:44:30 52.650944 1.253953 BFGS: 380 15:44:30 52.479749 1.250572 BFGS: 381 15:44:30 52.309218 1.247196 BFGS: 382 15:44:30 52.139348 1.243823 BFGS: 383 15:44:30 51.970137 1.240455 BFGS: 384 15:44:30 51.801583 1.237090 BFGS: 385 15:44:30 51.633682 1.233730 BFGS: 386 15:44:30 51.466432 1.230374 BFGS: 387 15:44:30 51.299830 1.227021 BFGS: 388 15:44:31 51.133873 1.223689 BFGS: 389 15:44:31 50.968557 1.220398 BFGS: 390 15:44:31 50.803877 1.217119 BFGS: 391 15:44:31 50.639818 1.213921 BFGS: 392 15:44:31 50.476365 1.210728 BFGS: 393 15:44:31 50.313515 1.207541 BFGS: 394 15:44:31 50.151261 1.204412 BFGS: 395 15:44:31 49.989588 1.201298 BFGS: 396 15:44:31 49.828494 1.198188 BFGS: 397 15:44:31 49.667976 1.195083 BFGS: 398 15:44:31 49.508032 1.191983 BFGS: 399 15:44:32 49.348657 1.188888 BFGS: 400 15:44:32 49.189851 1.185798 BFGS: 401 15:44:32 49.031609 1.182712 BFGS: 402 15:44:32 48.873929 1.179631 BFGS: 403 15:44:32 48.716808 1.176555 BFGS: 404 15:44:32 48.560243 1.173483 BFGS: 405 15:44:32 48.404232 1.170416 BFGS: 406 15:44:32 48.248772 1.167353 BFGS: 407 15:44:32 48.093860 1.164295 BFGS: 408 15:44:32 47.939493 1.161242 BFGS: 409 15:44:32 47.785669 1.158193 BFGS: 410 15:44:32 47.632384 1.155149 BFGS: 411 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2.224319 0.099513 BFGS: 1151 15:45:16 2.212153 0.099070 BFGS: 1152 15:45:16 2.200047 0.098627 BFGS: 1153 15:45:16 2.188000 0.098186 BFGS: 1154 15:45:16 2.176013 0.097745 BFGS: 1155 15:45:16 2.164084 0.097305 BFGS: 1156 15:45:16 2.152215 0.096865 BFGS: 1157 15:45:16 2.140405 0.096426 BFGS: 1158 15:45:16 2.128654 0.095988 BFGS: 1159 15:45:16 2.116963 0.095550 BFGS: 1160 15:45:17 2.105330 0.095113 BFGS: 1161 15:45:17 2.093757 0.094677 BFGS: 1162 15:45:17 2.082243 0.094241 BFGS: 1163 15:45:17 2.070788 0.093806 BFGS: 1164 15:45:17 2.059391 0.093372 BFGS: 1165 15:45:17 2.048054 0.092938 BFGS: 1166 15:45:17 2.036776 0.092505 BFGS: 1167 15:45:17 2.025557 0.092072 BFGS: 1168 15:45:17 2.014397 0.091641 BFGS: 1169 15:45:17 2.003296 0.091209 BFGS: 1170 15:45:17 1.992253 0.090779 BFGS: 1171 15:45:17 1.981270 0.090349 BFGS: 1172 15:45:17 1.970345 0.089919 BFGS: 1173 15:45:17 1.959480 0.089491 BFGS: 1174 15:45:17 1.948673 0.089063 BFGS: 1175 15:45:17 1.937925 0.088635 BFGS: 1176 15:45:17 1.927236 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15:45:20 1.444820 0.068412 BFGS: 1230 15:45:20 1.437231 0.068084 BFGS: 1231 15:45:20 1.429695 0.067756 BFGS: 1232 15:45:20 1.422213 0.067429 BFGS: 1233 15:45:20 1.414784 0.067102 BFGS: 1234 15:45:20 1.407408 0.066775 BFGS: 1235 15:45:20 1.400084 0.066449 BFGS: 1236 15:45:20 1.392814 0.066124 BFGS: 1237 15:45:20 1.385596 0.065799 BFGS: 1238 15:45:20 1.378431 0.065474 BFGS: 1239 15:45:20 1.371317 0.065156 BFGS: 1240 15:45:21 1.364254 0.064842 BFGS: 1241 15:45:21 1.357240 0.064528 BFGS: 1242 15:45:21 1.350277 0.064215 BFGS: 1243 15:45:21 1.343363 0.063903 BFGS: 1244 15:45:21 1.336499 0.063591 BFGS: 1245 15:45:21 1.329684 0.063280 BFGS: 1246 15:45:21 1.322918 0.062969 BFGS: 1247 15:45:21 1.316202 0.062659 BFGS: 1248 15:45:21 1.309534 0.062349 BFGS: 1249 15:45:21 1.302914 0.062040 BFGS: 1250 15:45:21 1.296343 0.061731 BFGS: 1251 15:45:21 1.289820 0.061423 BFGS: 1252 15:45:21 1.283345 0.061116 BFGS: 1253 15:45:21 1.276918 0.060809 BFGS: 1254 15:45:21 1.270539 0.060503 BFGS: 1255 15:45:21 1.264207 0.060197 BFGS: 1256 15:45:21 1.257922 0.059891 BFGS: 1257 15:45:21 1.251684 0.059587 BFGS: 1258 15:45:21 1.245492 0.059310 BFGS: 1259 15:45:21 1.239343 0.059042 BFGS: 1260 15:45:21 1.233237 0.058774 BFGS: 1261 15:45:22 1.227174 0.058507 BFGS: 1262 15:45:22 1.221154 0.058240 BFGS: 1263 15:45:22 1.215176 0.057973 BFGS: 1264 15:45:22 1.209241 0.057707 BFGS: 1265 15:45:22 1.203347 0.057441 BFGS: 1266 15:45:22 1.197496 0.057175 BFGS: 1267 15:45:22 1.191686 0.056910 BFGS: 1268 15:45:22 1.185918 0.056645 BFGS: 1269 15:45:22 1.180191 0.056380 BFGS: 1270 15:45:22 1.174505 0.056116 BFGS: 1271 15:45:22 1.168860 0.055852 BFGS: 1272 15:45:22 1.163255 0.055588 BFGS: 1273 15:45:22 1.157691 0.055325 BFGS: 1274 15:45:22 1.152167 0.055062 BFGS: 1275 15:45:22 1.146683 0.054799 BFGS: 1276 15:45:22 1.141239 0.054537 BFGS: 1277 15:45:22 1.135835 0.054275 BFGS: 1278 15:45:22 1.130469 0.054013 BFGS: 1279 15:45:22 1.125143 0.053751 BFGS: 1280 15:45:22 1.119856 0.053490 BFGS: 1281 15:45:22 1.114608 0.053229 BFGS: 1282 15:45:23 1.109399 0.052969 BFGS: 1283 15:45:23 1.104227 0.052709 BFGS: 1284 15:45:23 1.099094 0.052449 BFGS: 1285 15:45:23 1.093999 0.052190 BFGS: 1286 15:45:23 1.088942 0.051930 BFGS: 1287 15:45:23 1.083922 0.051672 BFGS: 1288 15:45:23 1.078940 0.051413 BFGS: 1289 15:45:23 1.073994 0.051155 BFGS: 1290 15:45:23 1.069086 0.050897 BFGS: 1291 15:45:23 1.064215 0.050639 BFGS: 1292 15:45:23 1.059380 0.050382 BFGS: 1293 15:45:23 1.054581 0.050125 BFGS: 1294 15:45:23 1.049819 0.049869 BFGS: 1295 15:45:23 1.045092 0.049612 BFGS: 1296 15:45:23 1.040402 0.049357 BFGS: 1297 15:45:23 1.035747 0.049101 BFGS: 1298 15:45:23 1.031127 0.048846 BFGS: 1299 15:45:23 1.026543 0.048591 BFGS: 1300 15:45:23 1.021993 0.048336 BFGS: 1301 15:45:23 1.017478 0.048082 BFGS: 1302 15:45:23 1.012998 0.047828 BFGS: 1303 15:45:24 1.008552 0.047574 BFGS: 1304 15:45:24 1.004141 0.047321 BFGS: 1305 15:45:24 0.999763 0.047067 BFGS: 1306 15:45:24 0.995419 0.046815 BFGS: 1307 15:45:24 0.991109 0.046562 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0.463343 0.028048 BFGS: 1466 15:45:31 0.460621 0.027984 BFGS: 1467 15:45:31 0.457907 0.027920 BFGS: 1468 15:45:31 0.455199 0.027855 BFGS: 1469 15:45:31 0.452498 0.027791 BFGS: 1470 15:45:32 0.449804 0.027726 BFGS: 1471 15:45:32 0.447116 0.027661 BFGS: 1472 15:45:32 0.444435 0.027596 BFGS: 1473 15:45:32 0.441762 0.027531 BFGS: 1474 15:45:32 0.439095 0.027465 BFGS: 1475 15:45:32 0.436434 0.027399 BFGS: 1476 15:45:32 0.433781 0.027334 BFGS: 1477 15:45:32 0.431135 0.027267 BFGS: 1478 15:45:32 0.428495 0.027201 BFGS: 1479 15:45:32 0.425862 0.027135 BFGS: 1480 15:45:32 0.423236 0.027068 BFGS: 1481 15:45:32 0.420617 0.027002 BFGS: 1482 15:45:32 0.418005 0.026935 BFGS: 1483 15:45:32 0.415399 0.026868 BFGS: 1484 15:45:32 0.412801 0.026800 BFGS: 1485 15:45:32 0.410209 0.026733 BFGS: 1486 15:45:32 0.407624 0.026665 BFGS: 1487 15:45:32 0.405046 0.026597 BFGS: 1488 15:45:32 0.402475 0.026529 BFGS: 1489 15:45:32 0.399911 0.026461 BFGS: 1490 15:45:32 0.397353 0.026393 BFGS: 1491 15:45:33 0.394803 0.026324 BFGS: 1492 15:45:33 0.392259 0.026256 BFGS: 1493 15:45:33 0.389722 0.026187 BFGS: 1494 15:45:33 0.387192 0.026118 BFGS: 1495 15:45:33 0.384669 0.026048 BFGS: 1496 15:45:33 0.382153 0.025979 BFGS: 1497 15:45:33 0.379644 0.025910 BFGS: 1498 15:45:33 0.377142 0.025840 BFGS: 1499 15:45:33 0.374647 0.025770 BFGS: 1500 15:45:33 0.372159 0.025700 BFGS: 1501 15:45:33 0.369677 0.025630 BFGS: 1502 15:45:33 0.367203 0.025559 BFGS: 1503 15:45:33 0.364735 0.025489 BFGS: 1504 15:45:33 0.362275 0.025418 BFGS: 1505 15:45:33 0.359821 0.025347 BFGS: 1506 15:45:33 0.357375 0.025276 BFGS: 1507 15:45:33 0.354935 0.025204 BFGS: 1508 15:45:33 0.352502 0.025133 BFGS: 1509 15:45:33 0.350077 0.025061 BFGS: 1510 15:45:33 0.347658 0.024989 BFGS: 1511 15:45:33 0.345246 0.024917 BFGS: 1512 15:45:34 0.342842 0.024845 BFGS: 1513 15:45:34 0.340444 0.024773 BFGS: 1514 15:45:34 0.338054 0.024700 BFGS: 1515 15:45:34 0.335670 0.024628 BFGS: 1516 15:45:34 0.333293 0.024555 BFGS: 1517 15:45:34 0.330924 0.024482 BFGS: 1518 15:45:34 0.328562 0.024409 BFGS: 1519 15:45:34 0.326206 0.024335 BFGS: 1520 15:45:34 0.323858 0.024262 BFGS: 1521 15:45:34 0.321517 0.024188 BFGS: 1522 15:45:34 0.319183 0.024114 BFGS: 1523 15:45:34 0.316856 0.024040 BFGS: 1524 15:45:34 0.314536 0.023966 BFGS: 1525 15:45:34 0.312224 0.023892 BFGS: 1526 15:45:34 0.309918 0.023817 BFGS: 1527 15:45:34 0.307620 0.023742 BFGS: 1528 15:45:34 0.305328 0.023703 BFGS: 1529 15:45:34 0.303044 0.023718 BFGS: 1530 15:45:34 0.300767 0.023732 BFGS: 1531 15:45:34 0.298498 0.023746 BFGS: 1532 15:45:34 0.296235 0.023760 BFGS: 1533 15:45:35 0.293980 0.023773 BFGS: 1534 15:45:35 0.291732 0.023785 BFGS: 1535 15:45:35 0.289491 0.023797 BFGS: 1536 15:45:35 0.287257 0.023808 BFGS: 1537 15:45:35 0.285031 0.023819 BFGS: 1538 15:45:35 0.282812 0.023829 BFGS: 1539 15:45:35 0.280600 0.023838 BFGS: 1540 15:45:35 0.278395 0.023847 BFGS: 1541 15:45:35 0.276198 0.023855 BFGS: 1542 15:45:35 0.274008 0.023863 BFGS: 1543 15:45:35 0.271825 0.023870 BFGS: 1544 15:45:35 0.269650 0.023877 BFGS: 1545 15:45:35 0.267482 0.023882 BFGS: 1546 15:45:35 0.265321 0.023888 BFGS: 1547 15:45:35 0.263168 0.023892 BFGS: 1548 15:45:35 0.261022 0.023896 BFGS: 1549 15:45:35 0.258884 0.023899 BFGS: 1550 15:45:35 0.256753 0.023902 BFGS: 1551 15:45:35 0.254629 0.023904 BFGS: 1552 15:45:35 0.252513 0.023905 BFGS: 1553 15:45:35 0.250404 0.023906 BFGS: 1554 15:45:36 0.248303 0.023906 BFGS: 1555 15:45:36 0.246209 0.023905 BFGS: 1556 15:45:36 0.244122 0.023904 BFGS: 1557 15:45:36 0.242044 0.023901 BFGS: 1558 15:45:36 0.239972 0.023899 BFGS: 1559 15:45:36 0.237908 0.023895 BFGS: 1560 15:45:36 0.235852 0.023891 BFGS: 1561 15:45:36 0.233803 0.023886 BFGS: 1562 15:45:36 0.231762 0.023880 BFGS: 1563 15:45:36 0.229729 0.023874 BFGS: 1564 15:45:36 0.227703 0.023867 BFGS: 1565 15:45:36 0.225684 0.023859 BFGS: 1566 15:45:36 0.223673 0.023850 BFGS: 1567 15:45:36 0.221670 0.023841 BFGS: 1568 15:45:36 0.219675 0.023831 BFGS: 1569 15:45:36 0.217687 0.023820 BFGS: 1570 15:45:36 0.215707 0.023808 BFGS: 1571 15:45:36 0.213734 0.023796 BFGS: 1572 15:45:36 0.211770 0.023782 BFGS: 1573 15:45:36 0.209813 0.023768 BFGS: 1574 15:45:36 0.207864 0.023754 BFGS: 1575 15:45:37 0.205922 0.023738 BFGS: 1576 15:45:37 0.203988 0.023722 BFGS: 1577 15:45:37 0.202063 0.023704 BFGS: 1578 15:45:37 0.200144 0.023686 BFGS: 1579 15:45:37 0.198234 0.023668 BFGS: 1580 15:45:37 0.196332 0.023648 BFGS: 1581 15:45:37 0.194437 0.023628 BFGS: 1582 15:45:37 0.192551 0.023606 BFGS: 1583 15:45:37 0.190672 0.023584 BFGS: 1584 15:45:37 0.188801 0.023561 BFGS: 1585 15:45:37 0.186938 0.023537 BFGS: 1586 15:45:37 0.185083 0.023513 BFGS: 1587 15:45:37 0.183236 0.023487 BFGS: 1588 15:45:37 0.181397 0.023461 BFGS: 1589 15:45:37 0.179566 0.023434 BFGS: 1590 15:45:37 0.177743 0.023406 BFGS: 1591 15:45:37 0.175928 0.023377 BFGS: 1592 15:45:37 0.174121 0.023347 BFGS: 1593 15:45:37 0.172322 0.023316 BFGS: 1594 15:45:38 0.170531 0.023285 BFGS: 1595 15:45:38 0.168749 0.023252 BFGS: 1596 15:45:38 0.166974 0.023219 BFGS: 1597 15:45:38 0.165208 0.023185 BFGS: 1598 15:45:38 0.163449 0.023149 BFGS: 1599 15:45:38 0.161699 0.023113 BFGS: 1600 15:45:38 0.159957 0.023076 BFGS: 1601 15:45:38 0.158224 0.023038 BFGS: 1602 15:45:38 0.156498 0.023000 BFGS: 1603 15:45:38 0.154781 0.022960 BFGS: 1604 15:45:38 0.153072 0.022919 BFGS: 1605 15:45:38 0.151371 0.022878 BFGS: 1606 15:45:38 0.149679 0.022835 BFGS: 1607 15:45:38 0.147995 0.022792 BFGS: 1608 15:45:38 0.146319 0.022747 BFGS: 1609 15:45:38 0.144652 0.022702 BFGS: 1610 15:45:38 0.142993 0.022656 BFGS: 1611 15:45:39 0.141342 0.022608 BFGS: 1612 15:45:39 0.139700 0.022560 BFGS: 1613 15:45:39 0.138066 0.022511 BFGS: 1614 15:45:39 0.136441 0.022461 BFGS: 1615 15:45:39 0.134824 0.022410 BFGS: 1616 15:45:39 0.133216 0.022358 BFGS: 1617 15:45:39 0.131616 0.022305 BFGS: 1618 15:45:39 0.130025 0.022251 BFGS: 1619 15:45:39 0.128442 0.022196 BFGS: 1620 15:45:39 0.126868 0.022140 BFGS: 1621 15:45:39 0.125303 0.022083 BFGS: 1622 15:45:39 0.123746 0.022025 BFGS: 1623 15:45:39 0.122198 0.021966 BFGS: 1624 15:45:39 0.120658 0.021906 BFGS: 1625 15:45:39 0.119127 0.021845 BFGS: 1626 15:45:39 0.117605 0.021783 BFGS: 1627 15:45:39 0.116091 0.021720 BFGS: 1628 15:45:39 0.114587 0.021656 BFGS: 1629 15:45:40 0.113091 0.021591 BFGS: 1630 15:45:40 0.111603 0.021525 BFGS: 1631 15:45:40 0.110125 0.021458 BFGS: 1632 15:45:40 0.108655 0.021390 BFGS: 1633 15:45:40 0.107195 0.021321 BFGS: 1634 15:45:40 0.105743 0.021251 BFGS: 1635 15:45:40 0.104300 0.021180 BFGS: 1636 15:45:40 0.102866 0.021108 BFGS: 1637 15:45:40 0.101441 0.021035 BFGS: 1638 15:45:40 0.100024 0.020960 BFGS: 1639 15:45:40 0.098617 0.020885 BFGS: 1640 15:45:40 0.097219 0.020809 BFGS: 1641 15:45:40 0.095830 0.020732 BFGS: 1642 15:45:40 0.094449 0.020653 BFGS: 1643 15:45:40 0.093078 0.020574 BFGS: 1644 15:45:40 0.091716 0.020493 BFGS: 1645 15:45:40 0.090363 0.020412 BFGS: 1646 15:45:41 0.089019 0.020329 BFGS: 1647 15:45:41 0.087685 0.020246 BFGS: 1648 15:45:41 0.086359 0.020161 BFGS: 1649 15:45:41 0.085043 0.020075 BFGS: 1650 15:45:41 0.083735 0.019989 BFGS: 1651 15:45:41 0.082437 0.019901 BFGS: 1652 15:45:41 0.081149 0.019812 BFGS: 1653 15:45:41 0.079869 0.019722 BFGS: 1654 15:45:41 0.078599 0.019631 BFGS: 1655 15:45:41 0.077338 0.019539 BFGS: 1656 15:45:41 0.076087 0.019446 BFGS: 1657 15:45:41 0.074845 0.019352 BFGS: 1658 15:45:41 0.073612 0.019256 BFGS: 1659 15:45:41 0.072389 0.019160 BFGS: 1660 15:45:41 0.071175 0.019063 BFGS: 1661 15:45:41 0.069970 0.018964 BFGS: 1662 15:45:41 0.068775 0.018864 BFGS: 1663 15:45:41 0.067589 0.018764 BFGS: 1664 15:45:42 0.066413 0.018662 BFGS: 1665 15:45:42 0.065247 0.018559 BFGS: 1666 15:45:42 0.064090 0.018455 BFGS: 1667 15:45:42 0.062943 0.018351 BFGS: 1668 15:45:42 0.061805 0.018244 BFGS: 1669 15:45:42 0.060677 0.018137 BFGS: 1670 15:45:42 0.059558 0.018029 BFGS: 1671 15:45:42 0.058449 0.017920 BFGS: 1672 15:45:42 0.057350 0.017810 BFGS: 1673 15:45:42 0.056261 0.017698 BFGS: 1674 15:45:42 0.055181 0.017586 BFGS: 1675 15:45:42 0.054111 0.017472 BFGS: 1676 15:45:42 0.053051 0.017357 BFGS: 1677 15:45:42 0.052000 0.017242 BFGS: 1678 15:45:42 0.050960 0.017125 BFGS: 1679 15:45:42 0.049929 0.017007 BFGS: 1680 15:45:42 0.048908 0.016888 BFGS: 1681 15:45:43 0.047897 0.016768 BFGS: 1682 15:45:43 0.046896 0.016647 BFGS: 1683 15:45:43 0.045905 0.016525 BFGS: 1684 15:45:43 0.044924 0.016401 BFGS: 1685 15:45:43 0.043952 0.016277 BFGS: 1686 15:45:43 0.042991 0.016151 BFGS: 1687 15:45:43 0.042040 0.016025 BFGS: 1688 15:45:43 0.041099 0.015897 BFGS: 1689 15:45:43 0.040168 0.015769 BFGS: 1690 15:45:43 0.039246 0.015639 BFGS: 1691 15:45:43 0.038336 0.015508 BFGS: 1692 15:45:43 0.037435 0.015376 BFGS: 1693 15:45:43 0.036544 0.015243 BFGS: 1694 15:45:43 0.035664 0.015109 BFGS: 1695 15:45:43 0.034793 0.014974 BFGS: 1696 15:45:43 0.033933 0.014838 BFGS: 1697 15:45:43 0.033083 0.014701 BFGS: 1698 15:45:44 0.032244 0.014563 BFGS: 1699 15:45:44 0.031414 0.014424 BFGS: 1700 15:45:44 0.030595 0.014283 BFGS: 1701 15:45:44 0.029787 0.014142 BFGS: 1702 15:45:44 0.028988 0.014000 BFGS: 1703 15:45:44 0.028200 0.013856 BFGS: 1704 15:45:44 0.027423 0.013712 BFGS: 1705 15:45:44 0.026656 0.013566 BFGS: 1706 15:45:44 0.025899 0.013420 BFGS: 1707 15:45:44 0.025153 0.013272 BFGS: 1708 15:45:44 0.024417 0.013124 BFGS: 1709 15:45:44 0.023691 0.012974 BFGS: 1710 15:45:44 0.022977 0.012824 BFGS: 1711 15:45:44 0.022272 0.012672 BFGS: 1712 15:45:44 0.021579 0.012519 BFGS: 1713 15:45:44 0.020896 0.012366 BFGS: 1714 15:45:44 0.020223 0.012211 BFGS: 1715 15:45:45 0.019561 0.012056 BFGS: 1716 15:45:45 0.018910 0.011900 BFGS: 1717 15:45:45 0.018269 0.011742 BFGS: 1718 15:45:45 0.017639 0.011584 BFGS: 1719 15:45:45 0.017020 0.011424 BFGS: 1720 15:45:45 0.016412 0.011264 BFGS: 1721 15:45:45 0.015814 0.011103 BFGS: 1722 15:45:45 0.015227 0.010941 BFGS: 1723 15:45:45 0.014651 0.010778 BFGS: 1724 15:45:45 0.014086 0.010614 BFGS: 1725 15:45:45 0.013531 0.010449 BFGS: 1726 15:45:45 0.012988 0.010284 BFGS: 1727 15:45:45 0.012455 0.010117 BFGS: 1728 15:45:45 0.011933 0.009950 BFGS: 1729 15:45:45 0.011422 0.009782 BFGS: 1730 15:45:45 0.010922 0.009613 BFGS: 1731 15:45:45 0.010433 0.009443 BFGS: 1732 15:45:45 0.009955 0.009273 BFGS: 1733 15:45:46 0.009488 0.009102 BFGS: 1734 15:45:46 0.009031 0.008930 BFGS: 1735 15:45:46 0.008586 0.008757 BFGS: 1736 15:45:46 0.008152 0.008584 BFGS: 1737 15:45:46 0.007729 0.008410 BFGS: 1738 15:45:46 0.007318 0.008236 BFGS: 1739 15:45:46 0.006917 0.008061 BFGS: 1740 15:45:46 0.006527 0.007885 BFGS: 1741 15:45:46 0.006149 0.007709 BFGS: 1742 15:45:46 0.005781 0.007532 BFGS: 1743 15:45:46 0.005425 0.007355 BFGS: 1744 15:45:46 0.005080 0.007178 BFGS: 1745 15:45:46 0.004747 0.007000 BFGS: 1746 15:45:46 0.004424 0.006822 BFGS: 1747 15:45:46 0.004113 0.006644 BFGS: 1748 15:45:46 0.003813 0.006466 BFGS: 1749 15:45:46 0.003525 0.006288 BFGS: 1750 15:45:46 0.003247 0.006109 BFGS: 1751 15:45:46 0.002981 0.005931 BFGS: 1752 15:45:46 0.002727 0.005754 BFGS: 1753 15:45:46 0.002483 0.005576 BFGS: 1754 15:45:46 0.002252 0.005399 BFGS: 1755 15:45:46 0.002031 0.005223 BFGS: 1756 15:45:46 0.001822 0.005047 BFGS: 1757 15:45:46 0.001625 0.004873 BFGS: 1758 15:45:46 0.001438 0.004700 BFGS: 1759 15:45:46 0.001264 0.004528 BFGS: 1760 15:45:47 0.001100 0.004358 BFGS: 1761 15:45:47 0.000949 0.004189 BFGS: 1762 15:45:47 0.000808 0.004023 BFGS: 1763 15:45:47 0.000680 0.003860 BFGS: 1764 15:45:47 0.000563 0.003699 BFGS: 1765 15:45:47 0.000457 0.003542 BFGS: 1766 15:45:47 0.000363 0.003389 BFGS: 1767 15:45:47 0.000280 0.003239 BFGS: 1768 15:45:47 0.000209 0.003094 BFGS: 1769 15:45:47 0.000150 0.002954 BFGS: 1770 15:45:47 0.000102 0.002818 BFGS: 1771 15:45:47 0.000066 0.002582 BFGS: 1772 15:45:47 0.000038 0.001951 BFGS: 1773 15:45:47 0.000019 0.001409 BFGS: 1774 15:45:47 0.000008 0.001078 BFGS: 1775 15:45:47 0.000004 0.000853 BFGS: 1776 15:45:47 0.000002 0.000547 BFGS: 1777 15:45:47 0.000000 0.000139 BFGS: 1778 15:45:47 0.000000 0.000000 BFGS: 1779 15:45:47 0.000000 0.000000 Minimization converged after 1779 steps. Maximum force component: 9.281370285292584e-12 eV/Angstrom Maximum stress component: 7.592964656565991e-15 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'] basis = [[3.33333330e-01 6.66666670e-01 4.82410379e-01] [6.66666663e-01 3.33333337e-01 5.17589621e-01] [3.33333330e-01 6.66666670e-01 6.95947298e-01] [6.66666663e-01 3.33333337e-01 3.04052702e-01] [2.10682897e-01 7.89317103e-01 3.45828054e-01] [2.10682897e-01 4.21365805e-01 3.45828054e-01] [5.78634195e-01 7.89317103e-01 3.45828054e-01] [7.89317096e-01 2.10682904e-01 6.54171946e-01] [4.21365798e-01 2.10682904e-01 6.54171946e-01] [7.89317096e-01 5.78634202e-01 6.54171946e-01] [1.19085752e-01 8.80914248e-01 5.23573820e-01] [1.19085752e-01 2.38171515e-01 5.23573820e-01] [7.61828485e-01 8.80914248e-01 5.23573820e-01] [8.80914241e-01 1.19085759e-01 4.76426180e-01] [2.38171508e-01 1.19085759e-01 4.76426180e-01] [8.80914241e-01 7.61828492e-01 4.76426180e-01] [2.59589980e-01 7.40410020e-01 1.46108990e-01] [2.59589980e-01 5.19179970e-01 1.46108990e-01] [4.80820030e-01 7.40410020e-01 1.46108990e-01] [7.40410013e-01 2.59589987e-01 8.53891010e-01] [5.19179963e-01 2.59589987e-01 8.53891010e-01] [7.40410013e-01 4.80820037e-01 8.53891010e-01] [6.76308325e-01 7.38497057e-02 3.41230427e-01] [9.26150294e-01 6.02458629e-01 3.41230427e-01] [3.97541371e-01 3.23691675e-01 3.41230427e-01] [7.38496990e-02 6.76308332e-01 6.58769573e-01] [6.02458623e-01 9.26150301e-01 6.58769573e-01] [3.23691668e-01 3.97541377e-01 6.58769573e-01] [3.23691668e-01 9.26150301e-01 6.58769573e-01] [7.38496990e-02 3.97541377e-01 6.58769573e-01] [6.02458623e-01 6.76308332e-01 6.58769573e-01] [9.26150294e-01 3.23691675e-01 3.41230427e-01] [3.97541371e-01 7.38497057e-02 3.41230427e-01] [6.76308325e-01 6.02458629e-01 3.41230427e-01] [7.07164637e-01 7.08027892e-01 1.64781315e-01] [2.91972108e-01 9.99136755e-01 1.64781315e-01] [8.63245058e-04 2.92835363e-01 1.64781315e-01] [7.08027885e-01 7.07164643e-01 8.35218685e-01] [9.99136748e-01 2.91972115e-01 8.35218685e-01] [2.92835357e-01 8.63251725e-04 8.35218685e-01] [2.92835357e-01 2.91972115e-01 8.35218685e-01] [7.08027885e-01 8.63251725e-04 8.35218685e-01] [9.99136748e-01 7.07164643e-01 8.35218685e-01] [2.91972108e-01 2.92835363e-01 1.64781315e-01] [8.63245058e-04 7.08027892e-01 1.64781315e-01] [7.07164637e-01 9.99136755e-01 1.64781315e-01] [5.50307753e-01 8.83754282e-01 9.71199493e-01] [1.16245718e-01 6.66553481e-01 9.71199493e-01] [3.33446519e-01 4.49692247e-01 9.71199493e-01] [8.83754276e-01 5.50307760e-01 2.88005075e-02] [6.66553474e-01 1.16245724e-01 2.88005075e-02] [4.49692240e-01 3.33446526e-01 2.88005075e-02] [4.49692240e-01 1.16245724e-01 2.88005075e-02] [8.83754276e-01 3.33446526e-01 2.88005075e-02] [6.66553474e-01 5.50307760e-01 2.88005075e-02] [1.16245718e-01 4.49692247e-01 9.71199493e-01] [3.33446519e-01 8.83754282e-01 9.71199493e-01] [5.50307753e-01 6.66553481e-01 9.71199493e-01]] cellpar = Cell([[25.361840425741264, -1.2397202868566847e-16, -3.6169461315546645e-37], [-12.680920212870632, 21.963998095419083, 3.3538502194325205e-37], [2.4442614904414255e-37, -9.060538044130195e-37, 36.206993953685824]]) 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] [ 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] [ 9.28137029e-12 -4.53685649e-29 -1.32365064e-49] [-4.64068514e-12 8.03790245e-12 1.22736857e-49] [-4.64068514e-12 -8.03790245e-12 9.62820734e-51] [-4.64068514e-12 8.03790245e-12 1.22736857e-49] [ 9.28137029e-12 -4.53685649e-29 -1.32365064e-49] [-4.64068514e-12 -8.03790245e-12 9.62820734e-51] [-9.28137029e-12 4.53685649e-29 1.32365064e-49] [ 4.64068514e-12 -8.03790245e-12 -1.22736857e-49] [ 4.64068514e-12 8.03790245e-12 -9.62820734e-51] [ 4.64068514e-12 -8.03790245e-12 -1.22736857e-49] [-9.28137029e-12 4.53685649e-29 1.32365064e-49] [ 4.64068514e-12 8.03790245e-12 -9.62820734e-51]] stress = [-7.59296466e-15 -7.59296466e-15 -1.02012225e-89 -1.90008442e-52 5.12585804e-53 -2.80779404e-30] energy per atom = 7.656710514656252e-18 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0