element(s): ['Si'] AFLOW prototype label: A_hP40_191_hjmno Parameter names: ['a', 'c/a', 'z1', 'x2', 'x3', 'x4', 'z4', 'x5', 'z5'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['10.2149', '1.0165836', '0.61228571', '0.75779551', '0.86747065', '0.38051764', '0.81323099', '0.79060657', '0.68780964'] model name: Sim_LAMMPS_Vashishta_BroughtonMeliVashishta_1997_SiO__SM_422553794879_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0.33333333 0.66666667 0.61228571] [0.75779551 0. 0. ] [0.86747065 0.7349413 0.5 ] [0.38051764 0. 0.81323099] [0.79060657 0.58121314 0.68780964]] spacegroup = 191 cell = [[10.2149, 0, 0], [-5.10745, 8.8463628971177, 0], [0, 0, 10.3843]] ========================================= Step Time Energy fmax BFGS: 0 10:52:20 135.045869 4.240975 BFGS: 1 10:52:20 134.313707 4.215834 BFGS: 2 10:52:20 133.590106 4.190872 BFGS: 3 10:52:21 132.874667 4.166082 BFGS: 4 10:52:21 132.167039 4.141494 BFGS: 5 10:52:22 131.466694 4.117903 BFGS: 6 10:52:22 130.772825 4.094637 BFGS: 7 10:52:22 130.085154 4.072196 BFGS: 8 10:52:23 129.403401 4.050423 BFGS: 9 10:52:23 128.727410 4.028743 BFGS: 10 10:52:23 128.056984 4.008065 BFGS: 11 10:52:24 127.391794 3.987984 BFGS: 12 10:52:24 126.731722 3.967970 BFGS: 13 10:52:25 126.076683 3.948024 BFGS: 14 10:52:25 125.426600 3.928148 BFGS: 15 10:52:26 124.781362 3.908686 BFGS: 16 10:52:26 124.140786 3.889528 BFGS: 17 10:52:26 123.504770 3.870440 BFGS: 18 10:52:27 122.873259 3.851421 BFGS: 19 10:52:27 122.246203 3.832470 BFGS: 20 10:52:28 121.623554 3.813585 BFGS: 21 10:52:28 121.005266 3.794767 BFGS: 22 10:52:29 120.391296 3.776013 BFGS: 23 10:52:29 119.781602 3.757324 BFGS: 24 10:52:29 119.176144 3.738699 BFGS: 25 10:52:30 118.574882 3.720136 BFGS: 26 10:52:30 117.977768 3.701960 BFGS: 27 10:52:31 117.384670 3.684140 BFGS: 28 10:52:31 116.795450 3.666373 BFGS: 29 10:52:31 116.210072 3.648660 BFGS: 30 10:52:32 115.628498 3.631001 BFGS: 31 10:52:33 115.050695 3.613395 BFGS: 32 10:52:33 114.476628 3.595842 BFGS: 33 10:52:34 113.906261 3.578341 BFGS: 34 10:52:34 113.339514 3.561814 BFGS: 35 10:52:34 112.776350 3.545356 BFGS: 36 10:52:35 112.216736 3.528988 BFGS: 37 10:52:35 111.660641 3.512696 BFGS: 38 10:52:36 111.108034 3.496459 BFGS: 39 10:52:36 110.558880 3.480278 BFGS: 40 10:52:37 110.013147 3.464153 BFGS: 41 10:52:37 109.470801 3.448083 BFGS: 42 10:52:37 108.931808 3.432068 BFGS: 43 10:52:38 108.396127 3.416532 BFGS: 44 10:52:38 107.863676 3.401547 BFGS: 45 10:52:39 107.334435 3.386612 BFGS: 46 10:52:39 106.808369 3.371729 BFGS: 47 10:52:40 106.285447 3.356897 BFGS: 48 10:52:40 105.765635 3.342116 BFGS: 49 10:52:40 105.248900 3.327386 BFGS: 50 10:52:41 104.735211 3.312707 BFGS: 51 10:52:41 104.224536 3.298079 BFGS: 52 10:52:41 103.716843 3.283502 BFGS: 53 10:52:42 103.212100 3.268977 BFGS: 54 10:52:42 102.710278 3.254502 BFGS: 55 10:52:42 102.211346 3.240079 BFGS: 56 10:52:42 101.715273 3.225706 BFGS: 57 10:52:43 101.222031 3.211385 BFGS: 58 10:52:43 100.731591 3.197114 BFGS: 59 10:52:43 100.243922 3.182895 BFGS: 60 10:52:44 99.758998 3.168727 BFGS: 61 10:52:44 99.276790 3.154610 BFGS: 62 10:52:44 98.797271 3.140543 BFGS: 63 10:52:45 98.320414 3.126528 BFGS: 64 10:52:45 97.846193 3.112564 BFGS: 65 10:52:45 97.374581 3.098650 BFGS: 66 10:52:46 96.905552 3.084787 BFGS: 67 10:52:46 96.439082 3.070975 BFGS: 68 10:52:46 95.975145 3.057214 BFGS: 69 10:52:46 95.513718 3.043503 BFGS: 70 10:52:47 95.054777 3.029842 BFGS: 71 10:52:47 94.598297 3.016232 BFGS: 72 10:52:47 94.144257 3.002673 BFGS: 73 10:52:47 93.692633 2.989163 BFGS: 74 10:52:48 93.243403 2.975704 BFGS: 75 10:52:48 92.796545 2.962295 BFGS: 76 10:52:48 92.352039 2.948935 BFGS: 77 10:52:48 91.909863 2.935626 BFGS: 78 10:52:49 91.469997 2.922366 BFGS: 79 10:52:49 91.032420 2.909156 BFGS: 80 10:52:49 90.597113 2.895995 BFGS: 81 10:52:50 90.164057 2.882883 BFGS: 82 10:52:50 89.733232 2.869820 BFGS: 83 10:52:50 89.304621 2.856807 BFGS: 84 10:52:50 88.878204 2.843842 BFGS: 85 10:52:51 88.453964 2.830926 BFGS: 86 10:52:51 88.031883 2.818059 BFGS: 87 10:52:51 87.611945 2.805240 BFGS: 88 10:52:52 87.194132 2.792469 BFGS: 89 10:52:52 86.778428 2.779746 BFGS: 90 10:52:52 86.364817 2.767071 BFGS: 91 10:52:53 85.953283 2.754444 BFGS: 92 10:52:53 85.543810 2.741864 BFGS: 93 10:52:53 85.136384 2.729332 BFGS: 94 10:52:53 84.730988 2.716846 BFGS: 95 10:52:54 84.327610 2.704408 BFGS: 96 10:52:54 83.926234 2.692017 BFGS: 97 10:52:54 83.526846 2.679672 BFGS: 98 10:52:55 83.129433 2.667373 BFGS: 99 10:52:55 82.733980 2.655121 BFGS: 100 10:52:55 82.340476 2.642915 BFGS: 101 10:52:55 81.948906 2.630755 BFGS: 102 10:52:56 81.559258 2.618640 BFGS: 103 10:52:56 81.171520 2.606571 BFGS: 104 10:52:56 80.785679 2.594547 BFGS: 105 10:52:56 80.401723 2.582568 BFGS: 106 10:52:57 80.019640 2.570634 BFGS: 107 10:52:57 79.639419 2.558745 BFGS: 108 10:52:57 79.261048 2.546900 BFGS: 109 10:52:57 78.884517 2.535099 BFGS: 110 10:52:57 78.509814 2.523343 BFGS: 111 10:52:58 78.136928 2.511630 BFGS: 112 10:52:58 77.765848 2.499961 BFGS: 113 10:52:58 77.396565 2.488336 BFGS: 114 10:52:58 77.029069 2.476753 BFGS: 115 10:52:59 76.663348 2.465214 BFGS: 116 10:52:59 76.299393 2.453718 BFGS: 117 10:52:59 75.937195 2.442264 BFGS: 118 10:52:59 75.576744 2.430853 BFGS: 119 10:53:00 75.218031 2.419484 BFGS: 120 10:53:00 74.861045 2.408158 BFGS: 121 10:53:00 74.505779 2.396873 BFGS: 122 10:53:00 74.152223 2.385630 BFGS: 123 10:53:01 73.800369 2.374428 BFGS: 124 10:53:01 73.450207 2.363267 BFGS: 125 10:53:01 73.101730 2.352148 BFGS: 126 10:53:01 72.754928 2.341069 BFGS: 127 10:53:01 72.409795 2.330032 BFGS: 128 10:53:02 72.066320 2.319034 BFGS: 129 10:53:02 71.724497 2.308077 BFGS: 130 10:53:02 71.384318 2.297160 BFGS: 131 10:53:02 71.045774 2.286283 BFGS: 132 10:53:03 70.708858 2.275446 BFGS: 133 10:53:03 70.373563 2.264648 BFGS: 134 10:53:03 70.039881 2.253890 BFGS: 135 10:53:03 69.707804 2.243170 BFGS: 136 10:53:04 69.377326 2.232490 BFGS: 137 10:53:04 69.048439 2.221848 BFGS: 138 10:53:04 68.721136 2.211245 BFGS: 139 10:53:04 68.395410 2.200681 BFGS: 140 10:53:05 68.071254 2.190154 BFGS: 141 10:53:05 67.748662 2.179666 BFGS: 142 10:53:05 67.427626 2.169215 BFGS: 143 10:53:05 67.108140 2.158841 BFGS: 144 10:53:05 66.790187 2.148575 BFGS: 145 10:53:06 66.473760 2.138345 BFGS: 146 10:53:06 66.158851 2.128149 BFGS: 147 10:53:06 65.845454 2.117988 BFGS: 148 10:53:06 65.533564 2.107862 BFGS: 149 10:53:07 65.223174 2.097771 BFGS: 150 10:53:07 64.914277 2.087713 BFGS: 151 10:53:07 64.606868 2.077690 BFGS: 152 10:53:07 64.300941 2.067702 BFGS: 153 10:53:08 63.996490 2.057747 BFGS: 154 10:53:08 63.693510 2.047826 BFGS: 155 10:53:08 63.391993 2.037939 BFGS: 156 10:53:08 63.091935 2.028086 BFGS: 157 10:53:09 62.793331 2.018266 BFGS: 158 10:53:09 62.496174 2.008480 BFGS: 159 10:53:09 62.200459 1.998726 BFGS: 160 10:53:10 61.906180 1.989007 BFGS: 161 10:53:10 61.613333 1.979320 BFGS: 162 10:53:10 61.321912 1.969666 BFGS: 163 10:53:10 61.031911 1.960045 BFGS: 164 10:53:11 60.743326 1.950456 BFGS: 165 10:53:11 60.456150 1.940900 BFGS: 166 10:53:11 60.170380 1.931376 BFGS: 167 10:53:12 59.886010 1.921885 BFGS: 168 10:53:12 59.603035 1.912426 BFGS: 169 10:53:12 59.321450 1.902999 BFGS: 170 10:53:12 59.041250 1.893603 BFGS: 171 10:53:13 58.762431 1.884240 BFGS: 172 10:53:13 58.484986 1.874908 BFGS: 173 10:53:13 58.208912 1.865607 BFGS: 174 10:53:14 57.934203 1.856338 BFGS: 175 10:53:14 57.660856 1.847101 BFGS: 176 10:53:14 57.388864 1.837894 BFGS: 177 10:53:15 57.118224 1.828718 BFGS: 178 10:53:15 56.848931 1.819573 BFGS: 179 10:53:15 56.580981 1.810459 BFGS: 180 10:53:16 56.314368 1.801375 BFGS: 181 10:53:16 56.049088 1.792322 BFGS: 182 10:53:16 55.785136 1.783299 BFGS: 183 10:53:16 55.522509 1.774307 BFGS: 184 10:53:17 55.261202 1.765344 BFGS: 185 10:53:17 55.001210 1.756412 BFGS: 186 10:53:17 54.742528 1.747509 BFGS: 187 10:53:18 54.485154 1.738636 BFGS: 188 10:53:18 54.229081 1.729793 BFGS: 189 10:53:18 53.974306 1.720979 BFGS: 190 10:53:18 53.720825 1.712194 BFGS: 191 10:53:19 53.468633 1.703439 BFGS: 192 10:53:19 53.217727 1.694712 BFGS: 193 10:53:19 52.968101 1.686015 BFGS: 194 10:53:19 52.719752 1.677347 BFGS: 195 10:53:20 52.472676 1.668707 BFGS: 196 10:53:20 52.226868 1.660096 BFGS: 197 10:53:20 51.982324 1.651513 BFGS: 198 10:53:21 51.739040 1.642959 BFGS: 199 10:53:21 51.497013 1.634433 BFGS: 200 10:53:21 51.256238 1.625935 BFGS: 201 10:53:21 51.016711 1.617465 BFGS: 202 10:53:22 50.778428 1.609023 BFGS: 203 10:53:22 50.541385 1.600609 BFGS: 204 10:53:22 50.305578 1.592222 BFGS: 205 10:53:22 50.071003 1.583863 BFGS: 206 10:53:23 49.837657 1.575531 BFGS: 207 10:53:23 49.605535 1.567227 BFGS: 208 10:53:23 49.374634 1.558950 BFGS: 209 10:53:23 49.144949 1.550700 BFGS: 210 10:53:24 48.916477 1.542477 BFGS: 211 10:53:24 48.689214 1.534280 BFGS: 212 10:53:24 48.463135 1.526262 BFGS: 213 10:53:24 48.238207 1.518284 BFGS: 214 10:53:25 48.014425 1.510333 BFGS: 215 10:53:25 47.791786 1.502408 BFGS: 216 10:53:25 47.570286 1.494508 BFGS: 217 10:53:25 47.349912 1.486847 BFGS: 218 10:53:25 47.130641 1.479283 BFGS: 219 10:53:26 46.912472 1.471745 BFGS: 220 10:53:26 46.695400 1.464234 BFGS: 221 10:53:26 46.479421 1.456749 BFGS: 222 10:53:26 46.264531 1.449291 BFGS: 223 10:53:27 46.050727 1.441859 BFGS: 224 10:53:27 45.838005 1.434453 BFGS: 225 10:53:27 45.626361 1.427072 BFGS: 226 10:53:27 45.415792 1.419717 BFGS: 227 10:53:28 45.206295 1.412387 BFGS: 228 10:53:28 44.997864 1.405082 BFGS: 229 10:53:28 44.790499 1.397802 BFGS: 230 10:53:29 44.584193 1.390547 BFGS: 231 10:53:29 44.378945 1.383317 BFGS: 232 10:53:29 44.174750 1.376111 BFGS: 233 10:53:29 43.971601 1.368930 BFGS: 234 10:53:30 43.769485 1.361773 BFGS: 235 10:53:30 43.568396 1.354641 BFGS: 236 10:53:30 43.368333 1.347533 BFGS: 237 10:53:30 43.169291 1.340449 BFGS: 238 10:53:31 42.971268 1.333389 BFGS: 239 10:53:31 42.774260 1.326353 BFGS: 240 10:53:31 42.578265 1.319341 BFGS: 241 10:53:31 42.383279 1.312352 BFGS: 242 10:53:32 42.189298 1.305423 BFGS: 243 10:53:32 41.996313 1.298559 BFGS: 244 10:53:32 41.804319 1.291716 BFGS: 245 10:53:32 41.613314 1.284894 BFGS: 246 10:53:33 41.423295 1.278093 BFGS: 247 10:53:33 41.234257 1.271313 BFGS: 248 10:53:33 41.046199 1.264554 BFGS: 249 10:53:34 40.859118 1.257816 BFGS: 250 10:53:34 40.673010 1.251098 BFGS: 251 10:53:34 40.487872 1.244401 BFGS: 252 10:53:34 40.303701 1.237725 BFGS: 253 10:53:35 40.120496 1.231069 BFGS: 254 10:53:35 39.938251 1.224434 BFGS: 255 10:53:35 39.756966 1.217819 BFGS: 256 10:53:35 39.576636 1.211225 BFGS: 257 10:53:36 39.397260 1.204650 BFGS: 258 10:53:36 39.218833 1.198096 BFGS: 259 10:53:36 39.041354 1.191562 BFGS: 260 10:53:36 38.864820 1.185047 BFGS: 261 10:53:37 38.689227 1.178553 BFGS: 262 10:53:37 38.514573 1.172078 BFGS: 263 10:53:37 38.340855 1.165623 BFGS: 264 10:53:37 38.168070 1.159188 BFGS: 265 10:53:38 37.996216 1.152772 BFGS: 266 10:53:38 37.825289 1.146376 BFGS: 267 10:53:38 37.655288 1.139999 BFGS: 268 10:53:38 37.486209 1.133642 BFGS: 269 10:53:39 37.318050 1.127303 BFGS: 270 10:53:39 37.150808 1.120984 BFGS: 271 10:53:39 36.984480 1.114684 BFGS: 272 10:53:39 36.819064 1.108403 BFGS: 273 10:53:40 36.654553 1.102189 BFGS: 274 10:53:40 36.490924 1.096039 BFGS: 275 10:53:40 36.328173 1.089909 BFGS: 276 10:53:40 36.166293 1.083905 BFGS: 277 10:53:40 36.005273 1.077952 BFGS: 278 10:53:41 35.845112 1.072019 BFGS: 279 10:53:41 35.685800 1.066293 BFGS: 280 10:53:41 35.527324 1.060654 BFGS: 281 10:53:41 35.369682 1.055032 BFGS: 282 10:53:42 35.212870 1.049428 BFGS: 283 10:53:42 35.056884 1.043841 BFGS: 284 10:53:42 34.901720 1.038272 BFGS: 285 10:53:43 34.747375 1.032720 BFGS: 286 10:53:43 34.593845 1.027186 BFGS: 287 10:53:43 34.441125 1.021669 BFGS: 288 10:53:43 34.289212 1.016168 BFGS: 289 10:53:44 34.138102 1.010685 BFGS: 290 10:53:44 33.987792 1.005219 BFGS: 291 10:53:44 33.838278 0.999770 BFGS: 292 10:53:44 33.689551 0.994492 BFGS: 293 10:53:45 33.541592 0.989351 BFGS: 294 10:53:45 33.394397 0.984227 BFGS: 295 10:53:45 33.247962 0.979121 BFGS: 296 10:53:45 33.102282 0.974032 BFGS: 297 10:53:46 32.957355 0.968960 BFGS: 298 10:53:46 32.813176 0.963906 BFGS: 299 10:53:46 32.669742 0.958868 BFGS: 300 10:53:46 32.527049 0.953847 BFGS: 301 10:53:47 32.385092 0.948842 BFGS: 302 10:53:47 32.243869 0.943855 BFGS: 303 10:53:47 32.103376 0.938883 BFGS: 304 10:53:47 31.963609 0.933928 BFGS: 305 10:53:48 31.824564 0.928990 BFGS: 306 10:53:48 31.686237 0.924067 BFGS: 307 10:53:48 31.548627 0.919161 BFGS: 308 10:53:48 31.411727 0.914271 BFGS: 309 10:53:49 31.275536 0.909397 BFGS: 310 10:53:49 31.140050 0.904538 BFGS: 311 10:53:49 31.005265 0.899695 BFGS: 312 10:53:49 30.871177 0.894868 BFGS: 313 10:53:50 30.737781 0.890170 BFGS: 314 10:53:50 30.605047 0.885667 BFGS: 315 10:53:50 30.472966 0.881175 BFGS: 316 10:53:50 30.341535 0.876694 BFGS: 317 10:53:51 30.210751 0.872224 BFGS: 318 10:53:51 30.080609 0.868058 BFGS: 319 10:53:51 29.951107 0.863937 BFGS: 320 10:53:51 29.822241 0.859839 BFGS: 321 10:53:52 29.694007 0.855764 BFGS: 322 10:53:52 29.566402 0.851713 BFGS: 323 10:53:52 29.439422 0.847685 BFGS: 324 10:53:52 29.313066 0.843679 BFGS: 325 10:53:53 29.187328 0.839695 BFGS: 326 10:53:53 29.062206 0.835733 BFGS: 327 10:53:53 28.937698 0.831792 BFGS: 328 10:53:54 28.813799 0.827873 BFGS: 329 10:53:54 28.690507 0.823975 BFGS: 330 10:53:54 28.567810 0.820190 BFGS: 331 10:53:54 28.445665 0.816503 BFGS: 332 10:53:55 28.324064 0.812845 BFGS: 333 10:53:55 28.203001 0.809216 BFGS: 334 10:53:55 28.082475 0.805614 BFGS: 335 10:53:56 27.962479 0.802040 BFGS: 336 10:53:56 27.843012 0.798493 BFGS: 337 10:53:56 27.724068 0.794971 BFGS: 338 10:53:56 27.605646 0.791476 BFGS: 339 10:53:57 27.487740 0.788005 BFGS: 340 10:53:57 27.370348 0.784558 BFGS: 341 10:53:57 27.253467 0.781135 BFGS: 342 10:53:58 27.137093 0.777736 BFGS: 343 10:53:58 27.021223 0.774360 BFGS: 344 10:53:58 26.905855 0.771006 BFGS: 345 10:53:59 26.790984 0.767674 BFGS: 346 10:53:59 26.676609 0.764364 BFGS: 347 10:53:59 26.562726 0.761074 BFGS: 348 10:53:59 26.449333 0.757806 BFGS: 349 10:54:00 26.336427 0.754558 BFGS: 350 10:54:00 26.224004 0.751331 BFGS: 351 10:54:00 26.112063 0.748123 BFGS: 352 10:54:00 26.000601 0.744934 BFGS: 353 10:54:01 25.889615 0.741765 BFGS: 354 10:54:01 25.779103 0.738614 BFGS: 355 10:54:01 25.669062 0.735481 BFGS: 356 10:54:02 25.559489 0.732367 BFGS: 357 10:54:02 25.450383 0.729276 BFGS: 358 10:54:02 25.341718 0.726345 BFGS: 359 10:54:02 25.233477 0.723425 BFGS: 360 10:54:03 25.125657 0.720517 BFGS: 361 10:54:03 25.018257 0.717620 BFGS: 362 10:54:03 24.911275 0.714734 BFGS: 363 10:54:04 24.804707 0.711860 BFGS: 364 10:54:04 24.698553 0.708997 BFGS: 365 10:54:04 24.592809 0.706146 BFGS: 366 10:54:04 24.487474 0.703306 BFGS: 367 10:54:05 24.382545 0.700477 BFGS: 368 10:54:05 24.278013 0.697851 BFGS: 369 10:54:05 24.173851 0.695328 BFGS: 370 10:54:06 24.070058 0.692814 BFGS: 371 10:54:06 23.966631 0.690308 BFGS: 372 10:54:06 23.863570 0.687812 BFGS: 373 10:54:06 23.760871 0.685325 BFGS: 374 10:54:07 23.658533 0.682847 BFGS: 375 10:54:07 23.556554 0.680377 BFGS: 376 10:54:07 23.454934 0.677917 BFGS: 377 10:54:07 23.353669 0.675466 BFGS: 378 10:54:07 23.252758 0.673023 BFGS: 379 10:54:08 23.152199 0.670590 BFGS: 380 10:54:08 23.051992 0.668165 BFGS: 381 10:54:08 22.952133 0.665750 BFGS: 382 10:54:09 22.852622 0.663343 BFGS: 383 10:54:09 22.753456 0.660946 BFGS: 384 10:54:09 22.654634 0.658557 BFGS: 385 10:54:10 22.556155 0.656177 BFGS: 386 10:54:10 22.458017 0.653806 BFGS: 387 10:54:10 22.360218 0.651456 BFGS: 388 10:54:10 22.262748 0.649143 BFGS: 389 10:54:11 22.165608 0.646835 BFGS: 390 10:54:11 22.068795 0.644534 BFGS: 391 10:54:11 21.972308 0.642237 BFGS: 392 10:54:12 21.876146 0.639947 BFGS: 393 10:54:12 21.780307 0.637662 BFGS: 394 10:54:12 21.684791 0.635382 BFGS: 395 10:54:12 21.589596 0.633108 BFGS: 396 10:54:13 21.494720 0.630840 BFGS: 397 10:54:13 21.400163 0.628578 BFGS: 398 10:54:13 21.305923 0.626365 BFGS: 399 10:54:14 21.211994 0.624218 BFGS: 400 10:54:14 21.118376 0.622076 BFGS: 401 10:54:14 21.025066 0.619938 BFGS: 402 10:54:14 20.932064 0.617806 BFGS: 403 10:54:15 20.839369 0.615678 BFGS: 404 10:54:15 20.746980 0.613555 BFGS: 405 10:54:15 20.654896 0.611437 BFGS: 406 10:54:15 20.563111 0.609324 BFGS: 407 10:54:16 20.471622 0.607218 BFGS: 408 10:54:16 20.380426 0.605120 BFGS: 409 10:54:16 20.289523 0.603029 BFGS: 410 10:54:16 20.198912 0.600945 BFGS: 411 10:54:16 20.108592 0.598869 BFGS: 412 10:54:17 20.018561 0.596799 BFGS: 413 10:54:17 19.928818 0.594737 BFGS: 414 10:54:17 19.839364 0.592681 BFGS: 415 10:54:17 19.750195 0.590632 BFGS: 416 10:54:17 19.661313 0.588590 BFGS: 417 10:54:18 19.572715 0.586554 BFGS: 418 10:54:18 19.484400 0.584524 BFGS: 419 10:54:18 19.396369 0.582501 BFGS: 420 10:54:18 19.308619 0.580484 BFGS: 421 10:54:19 19.221151 0.578473 BFGS: 422 10:54:19 19.133962 0.576468 BFGS: 423 10:54:19 19.047053 0.574468 BFGS: 424 10:54:19 18.960422 0.572475 BFGS: 425 10:54:20 18.874068 0.570488 BFGS: 426 10:54:20 18.787992 0.568506 BFGS: 427 10:54:20 18.702191 0.566530 BFGS: 428 10:54:20 18.616665 0.564560 BFGS: 429 10:54:21 18.531414 0.562595 BFGS: 430 10:54:21 18.446436 0.560635 BFGS: 431 10:54:21 18.361731 0.558681 BFGS: 432 10:54:21 18.277298 0.556732 BFGS: 433 10:54:22 18.193136 0.554789 BFGS: 434 10:54:22 18.109244 0.552850 BFGS: 435 10:54:22 18.025623 0.550917 BFGS: 436 10:54:22 17.942270 0.548989 BFGS: 437 10:54:23 17.859185 0.547066 BFGS: 438 10:54:23 17.776368 0.545147 BFGS: 439 10:54:23 17.693818 0.543234 BFGS: 440 10:54:23 17.611534 0.541326 BFGS: 441 10:54:24 17.529516 0.539422 BFGS: 442 10:54:24 17.447762 0.537523 BFGS: 443 10:54:24 17.366272 0.535629 BFGS: 444 10:54:24 17.285046 0.533739 BFGS: 445 10:54:24 17.204083 0.531854 BFGS: 446 10:54:25 17.123382 0.529974 BFGS: 447 10:54:25 17.042942 0.528098 BFGS: 448 10:54:25 16.962763 0.526226 BFGS: 449 10:54:25 16.882845 0.524359 BFGS: 450 10:54:25 16.803186 0.522496 BFGS: 451 10:54:26 16.723786 0.520638 BFGS: 452 10:54:26 16.644644 0.518784 BFGS: 453 10:54:26 16.565760 0.516934 BFGS: 454 10:54:26 16.487134 0.515089 BFGS: 455 10:54:26 16.408764 0.513247 BFGS: 456 10:54:27 16.330650 0.511410 BFGS: 457 10:54:27 16.252792 0.509577 BFGS: 458 10:54:27 16.175188 0.507748 BFGS: 459 10:54:27 16.097839 0.505922 BFGS: 460 10:54:27 16.020744 0.504101 BFGS: 461 10:54:28 15.943902 0.502284 BFGS: 462 10:54:28 15.867312 0.500471 BFGS: 463 10:54:28 15.790975 0.498661 BFGS: 464 10:54:28 15.714889 0.496855 BFGS: 465 10:54:29 15.639055 0.495054 BFGS: 466 10:54:29 15.563471 0.493255 BFGS: 467 10:54:29 15.488137 0.491461 BFGS: 468 10:54:29 15.413053 0.489670 BFGS: 469 10:54:29 15.338218 0.487883 BFGS: 470 10:54:30 15.263631 0.486100 BFGS: 471 10:54:30 15.189293 0.484320 BFGS: 472 10:54:30 15.115202 0.482543 BFGS: 473 10:54:30 15.041359 0.480771 BFGS: 474 10:54:31 14.967762 0.479001 BFGS: 475 10:54:31 14.894411 0.477235 BFGS: 476 10:54:31 14.821306 0.475473 BFGS: 477 10:54:31 14.748447 0.473714 BFGS: 478 10:54:32 14.675832 0.471958 BFGS: 479 10:54:32 14.603462 0.470205 BFGS: 480 10:54:32 14.531335 0.468456 BFGS: 481 10:54:32 14.459453 0.466710 BFGS: 482 10:54:33 14.387813 0.464967 BFGS: 483 10:54:33 14.316416 0.463228 BFGS: 484 10:54:33 14.245262 0.461491 BFGS: 485 10:54:33 14.174349 0.459758 BFGS: 486 10:54:33 14.103678 0.458028 BFGS: 487 10:54:34 14.033248 0.456301 BFGS: 488 10:54:34 13.963059 0.454577 BFGS: 489 10:54:34 13.893110 0.452856 BFGS: 490 10:54:34 13.823401 0.451138 BFGS: 491 10:54:35 13.753931 0.449423 BFGS: 492 10:54:35 13.684701 0.447711 BFGS: 493 10:54:35 13.615710 0.446001 BFGS: 494 10:54:35 13.546957 0.444295 BFGS: 495 10:54:36 13.478443 0.442591 BFGS: 496 10:54:36 13.410166 0.440890 BFGS: 497 10:54:36 13.342127 0.439192 BFGS: 498 10:54:36 13.274325 0.437497 BFGS: 499 10:54:36 13.206760 0.435805 BFGS: 500 10:54:37 13.139431 0.434115 BFGS: 501 10:54:37 13.072338 0.432428 BFGS: 502 10:54:37 13.005482 0.430743 BFGS: 503 10:54:37 12.938861 0.429061 BFGS: 504 10:54:37 12.872475 0.427382 BFGS: 505 10:54:38 12.806324 0.425705 BFGS: 506 10:54:38 12.740408 0.424031 BFGS: 507 10:54:38 12.674726 0.422359 BFGS: 508 10:54:38 12.609278 0.420690 BFGS: 509 10:54:38 12.544065 0.419023 BFGS: 510 10:54:39 12.479084 0.417359 BFGS: 511 10:54:39 12.414338 0.415697 BFGS: 512 10:54:39 12.349824 0.414037 BFGS: 513 10:54:39 12.285543 0.412380 BFGS: 514 10:54:40 12.221494 0.410725 BFGS: 515 10:54:40 12.157678 0.409073 BFGS: 516 10:54:40 12.094094 0.407422 BFGS: 517 10:54:40 12.030742 0.405774 BFGS: 518 10:54:40 11.967621 0.404159 BFGS: 519 10:54:41 11.904732 0.402605 BFGS: 520 10:54:41 11.842076 0.401053 BFGS: 521 10:54:41 11.779652 0.399502 BFGS: 522 10:54:41 11.717461 0.397952 BFGS: 523 10:54:41 11.655501 0.396404 BFGS: 524 10:54:41 11.593774 0.394857 BFGS: 525 10:54:42 11.532278 0.393312 BFGS: 526 10:54:42 11.471014 0.391768 BFGS: 527 10:54:42 11.409981 0.390226 BFGS: 528 10:54:42 11.349179 0.388685 BFGS: 529 10:54:42 11.288607 0.387145 BFGS: 530 10:54:43 11.228266 0.385607 BFGS: 531 10:54:43 11.168156 0.384071 BFGS: 532 10:54:43 11.108276 0.382536 BFGS: 533 10:54:43 11.048626 0.381002 BFGS: 534 10:54:43 10.989205 0.379470 BFGS: 535 10:54:44 10.930015 0.377939 BFGS: 536 10:54:44 10.871054 0.376409 BFGS: 537 10:54:44 10.812322 0.374881 BFGS: 538 10:54:44 10.753819 0.373355 BFGS: 539 10:54:45 10.695546 0.371830 BFGS: 540 10:54:45 10.637501 0.370306 BFGS: 541 10:54:45 10.579685 0.368784 BFGS: 542 10:54:45 10.522097 0.367264 BFGS: 543 10:54:45 10.464738 0.365745 BFGS: 544 10:54:45 10.407607 0.364227 BFGS: 545 10:54:46 10.350704 0.362711 BFGS: 546 10:54:46 10.294030 0.361196 BFGS: 547 10:54:46 10.237583 0.359682 BFGS: 548 10:54:46 10.181363 0.358171 BFGS: 549 10:54:46 10.125372 0.356660 BFGS: 550 10:54:47 10.069608 0.355151 BFGS: 551 10:54:47 10.014071 0.353644 BFGS: 552 10:54:47 9.958761 0.352138 BFGS: 553 10:54:47 9.903679 0.350633 BFGS: 554 10:54:47 9.848824 0.349130 BFGS: 555 10:54:48 9.794195 0.347629 BFGS: 556 10:54:48 9.739793 0.346129 BFGS: 557 10:54:48 9.685619 0.344630 BFGS: 558 10:54:48 9.631670 0.343133 BFGS: 559 10:54:48 9.577949 0.341638 BFGS: 560 10:54:49 9.524453 0.340144 BFGS: 561 10:54:49 9.471184 0.338651 BFGS: 562 10:54:49 9.418142 0.337161 BFGS: 563 10:54:49 9.365325 0.335671 BFGS: 564 10:54:49 9.312735 0.334183 BFGS: 565 10:54:50 9.260370 0.332697 BFGS: 566 10:54:50 9.208232 0.331212 BFGS: 567 10:54:50 9.156319 0.329729 BFGS: 568 10:54:50 9.104633 0.328247 BFGS: 569 10:54:51 9.053172 0.326767 BFGS: 570 10:54:51 9.001936 0.325289 BFGS: 571 10:54:51 8.950927 0.323812 BFGS: 572 10:54:51 8.900142 0.322337 BFGS: 573 10:54:51 8.849583 0.320863 BFGS: 574 10:54:52 8.799250 0.319391 BFGS: 575 10:54:52 8.749142 0.317921 BFGS: 576 10:54:52 8.699259 0.316452 BFGS: 577 10:54:52 8.649601 0.314985 BFGS: 578 10:54:53 8.600169 0.313520 BFGS: 579 10:54:53 8.550962 0.312056 BFGS: 580 10:54:53 8.501979 0.310594 BFGS: 581 10:54:53 8.453222 0.309134 BFGS: 582 10:54:54 8.404689 0.307675 BFGS: 583 10:54:54 8.356382 0.306218 BFGS: 584 10:54:54 8.308299 0.304763 BFGS: 585 10:54:54 8.260440 0.303309 BFGS: 586 10:54:55 8.212807 0.301858 BFGS: 587 10:54:55 8.165398 0.300408 BFGS: 588 10:54:55 8.118214 0.298960 BFGS: 589 10:54:55 8.071254 0.297514 BFGS: 590 10:54:56 8.024518 0.296069 BFGS: 591 10:54:56 7.978007 0.294627 BFGS: 592 10:54:56 7.931721 0.293186 BFGS: 593 10:54:56 7.885658 0.291747 BFGS: 594 10:54:57 7.839820 0.290310 BFGS: 595 10:54:57 7.794205 0.288875 BFGS: 596 10:54:57 7.748815 0.287442 BFGS: 597 10:54:57 7.703649 0.286011 BFGS: 598 10:54:58 7.658707 0.284582 BFGS: 599 10:54:58 7.613988 0.283154 BFGS: 600 10:54:58 7.569493 0.281729 BFGS: 601 10:54:58 7.525222 0.280306 BFGS: 602 10:54:59 7.481175 0.278885 BFGS: 603 10:54:59 7.437351 0.277466 BFGS: 604 10:54:59 7.393750 0.276048 BFGS: 605 10:54:59 7.350373 0.274634 BFGS: 606 10:55:00 7.307219 0.273221 BFGS: 607 10:55:00 7.264288 0.271810 BFGS: 608 10:55:00 7.221580 0.270401 BFGS: 609 10:55:01 7.179095 0.268995 BFGS: 610 10:55:01 7.136833 0.267591 BFGS: 611 10:55:01 7.094793 0.266189 BFGS: 612 10:55:01 7.052977 0.264789 BFGS: 613 10:55:02 7.011382 0.263392 BFGS: 614 10:55:02 6.970011 0.261997 BFGS: 615 10:55:02 6.928861 0.260604 BFGS: 616 10:55:03 6.887933 0.259213 BFGS: 617 10:55:03 6.847228 0.257825 BFGS: 618 10:55:03 6.806744 0.256439 BFGS: 619 10:55:04 6.766482 0.255056 BFGS: 620 10:55:04 6.726442 0.253675 BFGS: 621 10:55:04 6.686623 0.252296 BFGS: 622 10:55:04 6.647025 0.250920 BFGS: 623 10:55:05 6.607648 0.249547 BFGS: 624 10:55:05 6.568492 0.248176 BFGS: 625 10:55:05 6.529557 0.246807 BFGS: 626 10:55:05 6.490843 0.245441 BFGS: 627 10:55:06 6.452344 0.244100 BFGS: 628 10:55:06 6.414012 0.242802 BFGS: 629 10:55:06 6.375827 0.241505 BFGS: 630 10:55:07 6.337788 0.240209 BFGS: 631 10:55:07 6.299897 0.238916 BFGS: 632 10:55:07 6.262152 0.237624 BFGS: 633 10:55:08 6.224553 0.236334 BFGS: 634 10:55:08 6.187100 0.235046 BFGS: 635 10:55:08 6.149793 0.233759 BFGS: 636 10:55:09 6.112631 0.232474 BFGS: 637 10:55:09 6.075614 0.231191 BFGS: 638 10:55:09 6.038742 0.229909 BFGS: 639 10:55:09 6.002014 0.228629 BFGS: 640 10:55:10 5.965431 0.227351 BFGS: 641 10:55:10 5.928992 0.226074 BFGS: 642 10:55:10 5.892697 0.224958 BFGS: 643 10:55:11 5.856547 0.224112 BFGS: 644 10:55:11 5.820540 0.223269 BFGS: 645 10:55:11 5.784677 0.222429 BFGS: 646 10:55:11 5.748957 0.221591 BFGS: 647 10:55:12 5.713382 0.220755 BFGS: 648 10:55:12 5.677949 0.219922 BFGS: 649 10:55:13 5.642661 0.219092 BFGS: 650 10:55:13 5.607515 0.218264 BFGS: 651 10:55:13 5.572511 0.217438 BFGS: 652 10:55:13 5.537643 0.216614 BFGS: 653 10:55:14 5.502911 0.215793 BFGS: 654 10:55:14 5.468315 0.214974 BFGS: 655 10:55:14 5.433855 0.214158 BFGS: 656 10:55:15 5.399532 0.213343 BFGS: 657 10:55:15 5.365345 0.212531 BFGS: 658 10:55:15 5.331295 0.211722 BFGS: 659 10:55:16 5.297383 0.210914 BFGS: 660 10:55:16 5.263607 0.210109 BFGS: 661 10:55:16 5.229969 0.209306 BFGS: 662 10:55:17 5.196470 0.208505 BFGS: 663 10:55:17 5.163108 0.207706 BFGS: 664 10:55:17 5.129885 0.206909 BFGS: 665 10:55:18 5.096800 0.206114 BFGS: 666 10:55:18 5.063854 0.205322 BFGS: 667 10:55:18 5.031048 0.204531 BFGS: 668 10:55:19 4.998381 0.203743 BFGS: 669 10:55:19 4.965853 0.202956 BFGS: 670 10:55:19 4.933466 0.202172 BFGS: 671 10:55:19 4.901219 0.201389 BFGS: 672 10:55:20 4.869113 0.200609 BFGS: 673 10:55:20 4.837147 0.199830 BFGS: 674 10:55:20 4.805323 0.199054 BFGS: 675 10:55:20 4.773640 0.198279 BFGS: 676 10:55:20 4.742099 0.197506 BFGS: 677 10:55:21 4.710700 0.196736 BFGS: 678 10:55:21 4.679443 0.195967 BFGS: 679 10:55:21 4.648329 0.195200 BFGS: 680 10:55:21 4.617358 0.194434 BFGS: 681 10:55:22 4.586529 0.193671 BFGS: 682 10:55:22 4.555845 0.192909 BFGS: 683 10:55:22 4.525304 0.192150 BFGS: 684 10:55:23 4.494907 0.191391 BFGS: 685 10:55:23 4.464654 0.190635 BFGS: 686 10:55:23 4.434546 0.189881 BFGS: 687 10:55:23 4.404583 0.189128 BFGS: 688 10:55:24 4.374765 0.188377 BFGS: 689 10:55:24 4.345093 0.187627 BFGS: 690 10:55:24 4.315566 0.186880 BFGS: 691 10:55:24 4.286185 0.186133 BFGS: 692 10:55:25 4.256950 0.185389 BFGS: 693 10:55:25 4.227862 0.184646 BFGS: 694 10:55:25 4.198921 0.183905 BFGS: 695 10:55:25 4.170126 0.183165 BFGS: 696 10:55:26 4.141479 0.182428 BFGS: 697 10:55:26 4.112979 0.181691 BFGS: 698 10:55:26 4.084627 0.180956 BFGS: 699 10:55:26 4.056422 0.180223 BFGS: 700 10:55:26 4.028366 0.179491 BFGS: 701 10:55:26 4.000458 0.178761 BFGS: 702 10:55:27 3.972699 0.178032 BFGS: 703 10:55:27 3.945088 0.177305 BFGS: 704 10:55:27 3.917626 0.176616 BFGS: 705 10:55:27 3.890294 0.176026 BFGS: 706 10:55:27 3.863086 0.175438 BFGS: 707 10:55:28 3.836003 0.174850 BFGS: 708 10:55:28 3.809045 0.174263 BFGS: 709 10:55:28 3.782211 0.173677 BFGS: 710 10:55:28 3.755503 0.173091 BFGS: 711 10:55:28 3.728920 0.172507 BFGS: 712 10:55:28 3.702463 0.171922 BFGS: 713 10:55:29 3.676132 0.171339 BFGS: 714 10:55:29 3.649927 0.170756 BFGS: 715 10:55:29 3.623848 0.170175 BFGS: 716 10:55:29 3.597896 0.169593 BFGS: 717 10:55:29 3.572071 0.169013 BFGS: 718 10:55:29 3.546373 0.168433 BFGS: 719 10:55:30 3.520803 0.167853 BFGS: 720 10:55:30 3.495360 0.167275 BFGS: 721 10:55:30 3.470045 0.166697 BFGS: 722 10:55:30 3.444858 0.166119 BFGS: 723 10:55:30 3.419799 0.165542 BFGS: 724 10:55:31 3.394868 0.164966 BFGS: 725 10:55:31 3.370066 0.164390 BFGS: 726 10:55:31 3.345393 0.163815 BFGS: 727 10:55:31 3.320849 0.163240 BFGS: 728 10:55:31 3.296434 0.162666 BFGS: 729 10:55:32 3.272149 0.162093 BFGS: 730 10:55:32 3.247992 0.161519 BFGS: 731 10:55:32 3.223966 0.160947 BFGS: 732 10:55:32 3.200069 0.160375 BFGS: 733 10:55:33 3.176303 0.159803 BFGS: 734 10:55:33 3.152666 0.159232 BFGS: 735 10:55:33 3.129159 0.158661 BFGS: 736 10:55:33 3.105783 0.158091 BFGS: 737 10:55:33 3.082537 0.157521 BFGS: 738 10:55:34 3.059422 0.156952 BFGS: 739 10:55:34 3.036438 0.156383 BFGS: 740 10:55:34 3.013584 0.155814 BFGS: 741 10:55:34 2.990861 0.155246 BFGS: 742 10:55:34 2.968268 0.154678 BFGS: 743 10:55:35 2.945807 0.154111 BFGS: 744 10:55:35 2.923476 0.153544 BFGS: 745 10:55:35 2.901277 0.152977 BFGS: 746 10:55:35 2.879209 0.152411 BFGS: 747 10:55:36 2.857271 0.151845 BFGS: 748 10:55:36 2.835465 0.151279 BFGS: 749 10:55:36 2.813790 0.150714 BFGS: 750 10:55:36 2.792245 0.150149 BFGS: 751 10:55:36 2.770832 0.149584 BFGS: 752 10:55:37 2.749550 0.149020 BFGS: 753 10:55:37 2.728399 0.148456 BFGS: 754 10:55:37 2.707379 0.147892 BFGS: 755 10:55:37 2.686489 0.147329 BFGS: 756 10:55:37 2.665731 0.146765 BFGS: 757 10:55:38 2.645103 0.146202 BFGS: 758 10:55:38 2.624606 0.145639 BFGS: 759 10:55:38 2.604239 0.145077 BFGS: 760 10:55:38 2.584003 0.144515 BFGS: 761 10:55:38 2.563897 0.143952 BFGS: 762 10:55:39 2.543922 0.143391 BFGS: 763 10:55:39 2.524076 0.142829 BFGS: 764 10:55:39 2.504361 0.142267 BFGS: 765 10:55:39 2.484775 0.141706 BFGS: 766 10:55:39 2.465318 0.141145 BFGS: 767 10:55:40 2.445992 0.140584 BFGS: 768 10:55:40 2.426794 0.140024 BFGS: 769 10:55:40 2.407725 0.139463 BFGS: 770 10:55:40 2.388785 0.138903 BFGS: 771 10:55:40 2.369974 0.138343 BFGS: 772 10:55:41 2.351291 0.137783 BFGS: 773 10:55:41 2.332737 0.137223 BFGS: 774 10:55:41 2.314310 0.136663 BFGS: 775 10:55:41 2.296011 0.136104 BFGS: 776 10:55:42 2.277838 0.135544 BFGS: 777 10:55:42 2.259784 0.134985 BFGS: 778 10:55:42 2.241848 0.134426 BFGS: 779 10:55:42 2.224029 0.133868 BFGS: 780 10:55:43 2.206328 0.133310 BFGS: 781 10:55:43 2.188743 0.132752 BFGS: 782 10:55:43 2.171274 0.132195 BFGS: 783 10:55:43 2.153920 0.131638 BFGS: 784 10:55:43 2.136682 0.131082 BFGS: 785 10:55:44 2.119558 0.130526 BFGS: 786 10:55:44 2.102548 0.129970 BFGS: 787 10:55:44 2.085652 0.129414 BFGS: 788 10:55:44 2.068869 0.128859 BFGS: 789 10:55:44 2.052199 0.128304 BFGS: 790 10:55:45 2.035641 0.127749 BFGS: 791 10:55:45 2.019194 0.127195 BFGS: 792 10:55:45 2.002859 0.126641 BFGS: 793 10:55:45 1.986634 0.126087 BFGS: 794 10:55:46 1.970519 0.125533 BFGS: 795 10:55:46 1.954514 0.124980 BFGS: 796 10:55:46 1.938618 0.124427 BFGS: 797 10:55:46 1.922830 0.123874 BFGS: 798 10:55:47 1.907150 0.123322 BFGS: 799 10:55:47 1.891577 0.122770 BFGS: 800 10:55:47 1.876111 0.122218 BFGS: 801 10:55:47 1.860751 0.121666 BFGS: 802 10:55:47 1.845497 0.121114 BFGS: 803 10:55:48 1.830349 0.120563 BFGS: 804 10:55:48 1.815304 0.120012 BFGS: 805 10:55:48 1.800364 0.119461 BFGS: 806 10:55:48 1.785527 0.118910 BFGS: 807 10:55:49 1.770793 0.118360 BFGS: 808 10:55:49 1.756160 0.117810 BFGS: 809 10:55:49 1.741630 0.117260 BFGS: 810 10:55:49 1.727201 0.116710 BFGS: 811 10:55:50 1.712872 0.116160 BFGS: 812 10:55:50 1.698643 0.115611 BFGS: 813 10:55:50 1.684513 0.115062 BFGS: 814 10:55:50 1.670482 0.114513 BFGS: 815 10:55:51 1.656548 0.113964 BFGS: 816 10:55:51 1.642713 0.113416 BFGS: 817 10:55:51 1.628974 0.112867 BFGS: 818 10:55:51 1.615331 0.112319 BFGS: 819 10:55:52 1.601784 0.111771 BFGS: 820 10:55:52 1.588331 0.111223 BFGS: 821 10:55:52 1.574974 0.110676 BFGS: 822 10:55:52 1.561710 0.110128 BFGS: 823 10:55:53 1.548539 0.109581 BFGS: 824 10:55:53 1.535460 0.109034 BFGS: 825 10:55:53 1.522474 0.108487 BFGS: 826 10:55:53 1.509578 0.107940 BFGS: 827 10:55:54 1.496774 0.107394 BFGS: 828 10:55:54 1.484059 0.106847 BFGS: 829 10:55:54 1.471434 0.106301 BFGS: 830 10:55:54 1.458898 0.105755 BFGS: 831 10:55:55 1.446449 0.105209 BFGS: 832 10:55:55 1.434089 0.104664 BFGS: 833 10:55:55 1.421815 0.104118 BFGS: 834 10:55:55 1.409627 0.103573 BFGS: 835 10:55:56 1.397526 0.103028 BFGS: 836 10:55:56 1.385509 0.102483 BFGS: 837 10:55:56 1.373576 0.101938 BFGS: 838 10:55:56 1.361728 0.101394 BFGS: 839 10:55:56 1.349963 0.100849 BFGS: 840 10:55:57 1.338280 0.100305 BFGS: 841 10:55:57 1.326679 0.099761 BFGS: 842 10:55:57 1.315159 0.099217 BFGS: 843 10:55:57 1.303721 0.098674 BFGS: 844 10:55:58 1.292362 0.098130 BFGS: 845 10:55:58 1.281083 0.097587 BFGS: 846 10:55:58 1.269883 0.097044 BFGS: 847 10:55:58 1.258761 0.096501 BFGS: 848 10:55:58 1.247716 0.095959 BFGS: 849 10:55:59 1.236749 0.095416 BFGS: 850 10:55:59 1.225858 0.094874 BFGS: 851 10:55:59 1.215044 0.094332 BFGS: 852 10:55:59 1.204304 0.093790 BFGS: 853 10:56:00 1.193639 0.093249 BFGS: 854 10:56:00 1.183049 0.092707 BFGS: 855 10:56:00 1.172531 0.092166 BFGS: 856 10:56:00 1.162079 0.091636 BFGS: 857 10:56:00 1.151685 0.091109 BFGS: 858 10:56:01 1.141350 0.090584 BFGS: 859 10:56:01 1.131075 0.090059 BFGS: 860 10:56:01 1.120859 0.089536 BFGS: 861 10:56:01 1.110701 0.089013 BFGS: 862 10:56:02 1.100601 0.088492 BFGS: 863 10:56:02 1.090560 0.087973 BFGS: 864 10:56:02 1.080575 0.087454 BFGS: 865 10:56:02 1.070648 0.086936 BFGS: 866 10:56:02 1.060777 0.086420 BFGS: 867 10:56:03 1.050964 0.085905 BFGS: 868 10:56:03 1.041206 0.085391 BFGS: 869 10:56:03 1.031504 0.084878 BFGS: 870 10:56:03 1.021858 0.084366 BFGS: 871 10:56:04 1.012267 0.083855 BFGS: 872 10:56:04 1.002730 0.083346 BFGS: 873 10:56:04 0.993249 0.082837 BFGS: 874 10:56:04 0.983822 0.082330 BFGS: 875 10:56:04 0.974449 0.081823 BFGS: 876 10:56:05 0.965130 0.081318 BFGS: 877 10:56:05 0.955864 0.080814 BFGS: 878 10:56:05 0.946652 0.080311 BFGS: 879 10:56:05 0.937493 0.079809 BFGS: 880 10:56:05 0.928387 0.079308 BFGS: 881 10:56:06 0.919333 0.078808 BFGS: 882 10:56:06 0.910331 0.078309 BFGS: 883 10:56:06 0.901381 0.077811 BFGS: 884 10:56:06 0.892483 0.077314 BFGS: 885 10:56:06 0.883637 0.076819 BFGS: 886 10:56:07 0.874842 0.076324 BFGS: 887 10:56:07 0.866098 0.075830 BFGS: 888 10:56:07 0.857405 0.075338 BFGS: 889 10:56:07 0.848763 0.074846 BFGS: 890 10:56:08 0.840171 0.074355 BFGS: 891 10:56:08 0.831629 0.073866 BFGS: 892 10:56:08 0.823137 0.073377 BFGS: 893 10:56:08 0.814695 0.072890 BFGS: 894 10:56:08 0.806303 0.072708 BFGS: 895 10:56:09 0.797960 0.072686 BFGS: 896 10:56:09 0.789666 0.072663 BFGS: 897 10:56:09 0.781421 0.072640 BFGS: 898 10:56:09 0.773225 0.072615 BFGS: 899 10:56:09 0.765078 0.072589 BFGS: 900 10:56:10 0.756979 0.072562 BFGS: 901 10:56:10 0.748928 0.072534 BFGS: 902 10:56:10 0.740926 0.072505 BFGS: 903 10:56:10 0.732971 0.072474 BFGS: 904 10:56:11 0.725064 0.072442 BFGS: 905 10:56:11 0.717205 0.072409 BFGS: 906 10:56:11 0.709393 0.072374 BFGS: 907 10:56:11 0.701628 0.072337 BFGS: 908 10:56:11 0.693911 0.072298 BFGS: 909 10:56:12 0.686240 0.072258 BFGS: 910 10:56:12 0.678617 0.072216 BFGS: 911 10:56:12 0.671040 0.072172 BFGS: 912 10:56:12 0.663509 0.072126 BFGS: 913 10:56:13 0.656025 0.072078 BFGS: 914 10:56:13 0.648587 0.072028 BFGS: 915 10:56:13 0.641196 0.071976 BFGS: 916 10:56:13 0.633850 0.071922 BFGS: 917 10:56:14 0.626550 0.071865 BFGS: 918 10:56:14 0.619296 0.071806 BFGS: 919 10:56:14 0.612087 0.071745 BFGS: 920 10:56:14 0.604924 0.071682 BFGS: 921 10:56:14 0.597807 0.071616 BFGS: 922 10:56:15 0.590734 0.071548 BFGS: 923 10:56:15 0.583707 0.071477 BFGS: 924 10:56:15 0.576725 0.071404 BFGS: 925 10:56:15 0.569787 0.071328 BFGS: 926 10:56:15 0.562895 0.071249 BFGS: 927 10:56:16 0.556047 0.071168 BFGS: 928 10:56:16 0.549244 0.071084 BFGS: 929 10:56:16 0.542485 0.070998 BFGS: 930 10:56:16 0.535771 0.070908 BFGS: 931 10:56:16 0.529101 0.070816 BFGS: 932 10:56:17 0.522475 0.070721 BFGS: 933 10:56:17 0.515893 0.070623 BFGS: 934 10:56:17 0.509355 0.070523 BFGS: 935 10:56:17 0.502862 0.070419 BFGS: 936 10:56:17 0.496412 0.070313 BFGS: 937 10:56:18 0.490006 0.070203 BFGS: 938 10:56:18 0.483643 0.070091 BFGS: 939 10:56:18 0.477325 0.069975 BFGS: 940 10:56:18 0.471050 0.069857 BFGS: 941 10:56:18 0.464818 0.069735 BFGS: 942 10:56:19 0.458630 0.069611 BFGS: 943 10:56:19 0.452485 0.069483 BFGS: 944 10:56:19 0.446383 0.069352 BFGS: 945 10:56:19 0.440325 0.069218 BFGS: 946 10:56:19 0.434309 0.069081 BFGS: 947 10:56:20 0.428337 0.068941 BFGS: 948 10:56:20 0.422408 0.068797 BFGS: 949 10:56:20 0.416522 0.068650 BFGS: 950 10:56:20 0.410678 0.068500 BFGS: 951 10:56:20 0.404878 0.068347 BFGS: 952 10:56:20 0.399120 0.068190 BFGS: 953 10:56:21 0.393405 0.068030 BFGS: 954 10:56:21 0.387733 0.067867 BFGS: 955 10:56:21 0.382103 0.067701 BFGS: 956 10:56:21 0.376516 0.067531 BFGS: 957 10:56:21 0.370972 0.067358 BFGS: 958 10:56:22 0.365470 0.067181 BFGS: 959 10:56:22 0.360010 0.067002 BFGS: 960 10:56:22 0.354593 0.066818 BFGS: 961 10:56:22 0.349218 0.066632 BFGS: 962 10:56:22 0.343886 0.066442 BFGS: 963 10:56:23 0.338596 0.066248 BFGS: 964 10:56:23 0.333348 0.066051 BFGS: 965 10:56:23 0.328143 0.065851 BFGS: 966 10:56:23 0.322979 0.065647 BFGS: 967 10:56:23 0.317858 0.065440 BFGS: 968 10:56:24 0.312779 0.065229 BFGS: 969 10:56:24 0.307743 0.065015 BFGS: 970 10:56:24 0.302748 0.064797 BFGS: 971 10:56:24 0.297795 0.064576 BFGS: 972 10:56:24 0.292885 0.064351 BFGS: 973 10:56:25 0.288016 0.064123 BFGS: 974 10:56:25 0.283189 0.063891 BFGS: 975 10:56:25 0.278405 0.063655 BFGS: 976 10:56:25 0.273662 0.063417 BFGS: 977 10:56:25 0.268962 0.063174 BFGS: 978 10:56:26 0.264303 0.062928 BFGS: 979 10:56:26 0.259686 0.062678 BFGS: 980 10:56:26 0.255111 0.062425 BFGS: 981 10:56:26 0.250578 0.062168 BFGS: 982 10:56:26 0.246087 0.061908 BFGS: 983 10:56:26 0.241638 0.061644 BFGS: 984 10:56:27 0.237231 0.061376 BFGS: 985 10:56:27 0.232865 0.061105 BFGS: 986 10:56:27 0.228542 0.060830 BFGS: 987 10:56:27 0.224260 0.060551 BFGS: 988 10:56:27 0.220019 0.060099 BFGS: 989 10:56:28 0.215821 0.059599 BFGS: 990 10:56:28 0.211666 0.059099 BFGS: 991 10:56:28 0.207554 0.058597 BFGS: 992 10:56:28 0.203485 0.058095 BFGS: 993 10:56:28 0.199458 0.057592 BFGS: 994 10:56:29 0.195475 0.057088 BFGS: 995 10:56:29 0.191534 0.056583 BFGS: 996 10:56:29 0.187636 0.056078 BFGS: 997 10:56:29 0.183781 0.055571 BFGS: 998 10:56:29 0.179968 0.055064 BFGS: 999 10:56:30 0.176197 0.054556 BFGS: 1000 10:56:30 0.172468 0.054048 BFGS: 1001 10:56:30 0.168782 0.053538 BFGS: 1002 10:56:30 0.165138 0.053028 BFGS: 1003 10:56:30 0.161535 0.052517 BFGS: 1004 10:56:31 0.157975 0.052005 BFGS: 1005 10:56:31 0.154456 0.051492 BFGS: 1006 10:56:31 0.150979 0.050979 BFGS: 1007 10:56:31 0.147544 0.050464 BFGS: 1008 10:56:31 0.144150 0.049949 BFGS: 1009 10:56:32 0.140797 0.049433 BFGS: 1010 10:56:32 0.137487 0.048916 BFGS: 1011 10:56:32 0.134217 0.048399 BFGS: 1012 10:56:32 0.130989 0.047881 BFGS: 1013 10:56:32 0.127802 0.047362 BFGS: 1014 10:56:33 0.124656 0.046842 BFGS: 1015 10:56:33 0.121551 0.046321 BFGS: 1016 10:56:33 0.118487 0.045799 BFGS: 1017 10:56:33 0.115465 0.045277 BFGS: 1018 10:56:33 0.112483 0.044754 BFGS: 1019 10:56:33 0.109542 0.044230 BFGS: 1020 10:56:34 0.106642 0.043705 BFGS: 1021 10:56:34 0.103782 0.043180 BFGS: 1022 10:56:34 0.100963 0.042653 BFGS: 1023 10:56:34 0.098185 0.042126 BFGS: 1024 10:56:34 0.095447 0.041598 BFGS: 1025 10:56:35 0.092750 0.041069 BFGS: 1026 10:56:35 0.090093 0.040539 BFGS: 1027 10:56:35 0.087477 0.040009 BFGS: 1028 10:56:35 0.084901 0.039477 BFGS: 1029 10:56:35 0.082365 0.038945 BFGS: 1030 10:56:36 0.079870 0.038412 BFGS: 1031 10:56:36 0.077415 0.037878 BFGS: 1032 10:56:36 0.075000 0.037343 BFGS: 1033 10:56:36 0.072625 0.036807 BFGS: 1034 10:56:36 0.070290 0.036270 BFGS: 1035 10:56:37 0.067995 0.035733 BFGS: 1036 10:56:37 0.065740 0.035194 BFGS: 1037 10:56:37 0.063525 0.034655 BFGS: 1038 10:56:37 0.061350 0.034115 BFGS: 1039 10:56:37 0.059214 0.033574 BFGS: 1040 10:56:38 0.057119 0.033031 BFGS: 1041 10:56:38 0.055063 0.032488 BFGS: 1042 10:56:38 0.053047 0.031944 BFGS: 1043 10:56:38 0.051071 0.031399 BFGS: 1044 10:56:38 0.049134 0.030853 BFGS: 1045 10:56:38 0.047237 0.030306 BFGS: 1046 10:56:39 0.045379 0.029758 BFGS: 1047 10:56:39 0.043561 0.029209 BFGS: 1048 10:56:39 0.041782 0.028659 BFGS: 1049 10:56:39 0.040042 0.028108 BFGS: 1050 10:56:39 0.038342 0.027556 BFGS: 1051 10:56:40 0.036682 0.027003 BFGS: 1052 10:56:40 0.035060 0.026448 BFGS: 1053 10:56:40 0.033478 0.025893 BFGS: 1054 10:56:40 0.031935 0.025336 BFGS: 1055 10:56:40 0.030431 0.024778 BFGS: 1056 10:56:41 0.028967 0.024219 BFGS: 1057 10:56:41 0.027540 0.023902 BFGS: 1058 10:56:41 0.026150 0.023739 BFGS: 1059 10:56:41 0.024797 0.023566 BFGS: 1060 10:56:42 0.023482 0.023384 BFGS: 1061 10:56:42 0.022203 0.023193 BFGS: 1062 10:56:42 0.020962 0.022993 BFGS: 1063 10:56:42 0.019758 0.022783 BFGS: 1064 10:56:42 0.018590 0.022565 BFGS: 1065 10:56:43 0.017460 0.022337 BFGS: 1066 10:56:43 0.016366 0.022099 BFGS: 1067 10:56:43 0.015309 0.021852 BFGS: 1068 10:56:43 0.014288 0.021595 BFGS: 1069 10:56:43 0.013304 0.021328 BFGS: 1070 10:56:44 0.012357 0.021052 BFGS: 1071 10:56:44 0.011446 0.020765 BFGS: 1072 10:56:44 0.010571 0.020468 BFGS: 1073 10:56:44 0.009733 0.020160 BFGS: 1074 10:56:45 0.008931 0.019842 BFGS: 1075 10:56:45 0.008165 0.019512 BFGS: 1076 10:56:45 0.007436 0.019171 BFGS: 1077 10:56:45 0.006742 0.018819 BFGS: 1078 10:56:45 0.006084 0.018454 BFGS: 1079 10:56:46 0.005463 0.018077 BFGS: 1080 10:56:46 0.004877 0.017687 BFGS: 1081 10:56:46 0.004326 0.017283 BFGS: 1082 10:56:46 0.003812 0.016865 BFGS: 1083 10:56:46 0.003333 0.016431 BFGS: 1084 10:56:47 0.002889 0.015982 BFGS: 1085 10:56:47 0.002481 0.015516 BFGS: 1086 10:56:47 0.002108 0.015032 BFGS: 1087 10:56:47 0.001770 0.014528 BFGS: 1088 10:56:47 0.001467 0.013642 BFGS: 1089 10:56:48 0.001192 0.012276 BFGS: 1090 10:56:48 0.000946 0.010913 BFGS: 1091 10:56:48 0.000729 0.009553 BFGS: 1092 10:56:48 0.000540 0.008196 BFGS: 1093 10:56:49 0.000379 0.006842 BFGS: 1094 10:56:49 0.000247 0.005491 BFGS: 1095 10:56:49 0.000143 0.004143 BFGS: 1096 10:56:49 0.000068 0.002798 BFGS: 1097 10:56:49 0.000020 0.001456 BFGS: 1098 10:56:50 0.000001 0.000264 BFGS: 1099 10:56:50 0.000000 0.000154 BFGS: 1100 10:56:50 0.000000 0.000084 BFGS: 1101 10:56:50 0.000000 0.000000 BFGS: 1102 10:56:51 0.000000 0.000000 Minimization converged after 1102 steps. Maximum force component: 1.154006183544331e-12 eV/Angstrom Maximum stress component: 3.075897176457973e-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'] basis = [[3.33333330e-01 6.66666670e-01 6.79051169e-01] [6.66666663e-01 3.33333337e-01 6.79051169e-01] [6.66666663e-01 3.33333337e-01 3.20948831e-01] [3.33333330e-01 6.66666670e-01 3.20948831e-01] [7.73018600e-01 3.33333361e-09 0.00000000e+00] [9.99999997e-01 7.73018607e-01 1.12545112e-37] [2.26981393e-01 2.26981400e-01 5.29366570e-37] [2.26981393e-01 3.33333361e-09 1.88992190e-37] [9.99999997e-01 2.26981400e-01 5.73734628e-37] [7.73018600e-01 7.73018607e-01 0.00000000e+00] [8.00031503e-01 6.00063017e-01 5.00000000e-01] [3.99936983e-01 1.99968497e-01 5.00000000e-01] [8.00031503e-01 1.99968497e-01 5.00000000e-01] [1.99968490e-01 3.99936990e-01 5.00000000e-01] [6.00063010e-01 8.00031510e-01 5.00000000e-01] [1.99968490e-01 8.00031510e-01 5.00000000e-01] [3.83896241e-01 3.33333361e-09 8.35029266e-01] [9.99999997e-01 3.83896248e-01 8.35029266e-01] [6.16103752e-01 6.16103759e-01 8.35029266e-01] [6.16103752e-01 3.33333361e-09 8.35029266e-01] [9.99999997e-01 6.16103759e-01 8.35029266e-01] [3.83896241e-01 3.83896248e-01 8.35029266e-01] [9.99999997e-01 3.83896248e-01 1.64970734e-01] [3.83896241e-01 3.33333361e-09 1.64970734e-01] [6.16103752e-01 6.16103759e-01 1.64970734e-01] [9.99999997e-01 6.16103759e-01 1.64970734e-01] [6.16103752e-01 3.33333361e-09 1.64970734e-01] [3.83896241e-01 3.83896248e-01 1.64970734e-01] [8.69003654e-01 7.38007317e-01 7.52511003e-01] [2.61992683e-01 1.30996346e-01 7.52511003e-01] [8.69003654e-01 1.30996346e-01 7.52511003e-01] [1.30996340e-01 2.61992689e-01 7.52511003e-01] [7.38007311e-01 8.69003660e-01 7.52511003e-01] [1.30996340e-01 8.69003660e-01 7.52511003e-01] [7.38007311e-01 8.69003660e-01 2.47488997e-01] [1.30996340e-01 2.61992689e-01 2.47488997e-01] [1.30996340e-01 8.69003660e-01 2.47488997e-01] [2.61992683e-01 1.30996346e-01 2.47488997e-01] [8.69003654e-01 7.38007317e-01 2.47488997e-01] [8.69003654e-01 1.30996346e-01 2.47488997e-01]] cellpar = Cell([[24.240573494563474, 7.522731408535262e-17, 9.317662253352696e-37], [-12.120286747281737, 20.992952448595698, 4.051533401374016e-37], [5.034391479325139e-37, 3.83938400616574e-36, 24.32953548700557]]) 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] [-1.21036733e-28 -1.15400618e-12 -4.78818525e-50] [ 9.99398671e-13 5.77003092e-13 6.23561035e-50] [-9.99398671e-13 5.77003092e-13 -1.44742510e-50] [ 1.21036733e-28 1.15400618e-12 4.78818525e-50] [-9.99398671e-13 -5.77003092e-13 -6.23561035e-50] [ 9.99398671e-13 -5.77003092e-13 1.44742510e-50] [-9.99398671e-13 -5.77003092e-13 -6.23561035e-50] [ 1.21036733e-28 1.15400618e-12 4.78818525e-50] [ 9.99398671e-13 -5.77003092e-13 1.44742510e-50] [ 9.99398671e-13 5.77003092e-13 6.23561035e-50] [-1.21036733e-28 -1.15400618e-12 -4.78818525e-50] [-9.99398671e-13 5.77003092e-13 -1.44742510e-50]] stress = [-3.07589718e-15 -3.07589718e-15 -1.55919540e-88 4.85399749e-52 6.36480320e-53 -8.02887611e-31] energy per atom = 0.0 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0