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 14:23:39 135.045869 4.240975 BFGS: 1 14:23:40 134.313707 4.215834 BFGS: 2 14:23:40 133.590106 4.190872 BFGS: 3 14:23:40 132.874667 4.166082 BFGS: 4 14:23:40 132.167039 4.141494 BFGS: 5 14:23:40 131.466694 4.117903 BFGS: 6 14:23:40 130.772825 4.094637 BFGS: 7 14:23:40 130.085154 4.072196 BFGS: 8 14:23:40 129.403401 4.050423 BFGS: 9 14:23:40 128.727410 4.028743 BFGS: 10 14:23:40 128.056984 4.008065 BFGS: 11 14:23:40 127.391794 3.987984 BFGS: 12 14:23:40 126.731722 3.967970 BFGS: 13 14:23:41 126.076683 3.948024 BFGS: 14 14:23:41 125.426600 3.928148 BFGS: 15 14:23:41 124.781362 3.908686 BFGS: 16 14:23:41 124.140786 3.889528 BFGS: 17 14:23:42 123.504770 3.870440 BFGS: 18 14:23:42 122.873259 3.851421 BFGS: 19 14:23:42 122.246203 3.832470 BFGS: 20 14:23:42 121.623554 3.813585 BFGS: 21 14:23:42 121.005266 3.794767 BFGS: 22 14:23:42 120.391296 3.776013 BFGS: 23 14:23:42 119.781602 3.757324 BFGS: 24 14:23:42 119.176144 3.738699 BFGS: 25 14:23:42 118.574882 3.720136 BFGS: 26 14:23:42 117.977768 3.701960 BFGS: 27 14:23:42 117.384670 3.684140 BFGS: 28 14:23:42 116.795450 3.666373 BFGS: 29 14:23:43 116.210072 3.648660 BFGS: 30 14:23:43 115.628498 3.631001 BFGS: 31 14:23:43 115.050695 3.613395 BFGS: 32 14:23:43 114.476628 3.595842 BFGS: 33 14:23:43 113.906261 3.578341 BFGS: 34 14:23:43 113.339514 3.561814 BFGS: 35 14:23:43 112.776350 3.545356 BFGS: 36 14:23:43 112.216736 3.528988 BFGS: 37 14:23:43 111.660641 3.512696 BFGS: 38 14:23:43 111.108034 3.496459 BFGS: 39 14:23:43 110.558880 3.480278 BFGS: 40 14:23:43 110.013147 3.464153 BFGS: 41 14:23:43 109.470801 3.448083 BFGS: 42 14:23:43 108.931808 3.432068 BFGS: 43 14:23:43 108.396127 3.416532 BFGS: 44 14:23:43 107.863676 3.401547 BFGS: 45 14:23:43 107.334435 3.386612 BFGS: 46 14:23:44 106.808369 3.371729 BFGS: 47 14:23:44 106.285447 3.356897 BFGS: 48 14:23:44 105.765635 3.342116 BFGS: 49 14:23:44 105.248900 3.327386 BFGS: 50 14:23:44 104.735211 3.312707 BFGS: 51 14:23:44 104.224536 3.298079 BFGS: 52 14:23:44 103.716843 3.283502 BFGS: 53 14:23:44 103.212100 3.268977 BFGS: 54 14:23:44 102.710278 3.254502 BFGS: 55 14:23:44 102.211346 3.240079 BFGS: 56 14:23:44 101.715273 3.225706 BFGS: 57 14:23:44 101.222031 3.211385 BFGS: 58 14:23:44 100.731591 3.197114 BFGS: 59 14:23:44 100.243922 3.182895 BFGS: 60 14:23:44 99.758998 3.168727 BFGS: 61 14:23:44 99.276790 3.154610 BFGS: 62 14:23:45 98.797271 3.140543 BFGS: 63 14:23:45 98.320414 3.126528 BFGS: 64 14:23:45 97.846193 3.112564 BFGS: 65 14:23:45 97.374581 3.098650 BFGS: 66 14:23:45 96.905552 3.084787 BFGS: 67 14:23:45 96.439082 3.070975 BFGS: 68 14:23:45 95.975145 3.057214 BFGS: 69 14:23:45 95.513718 3.043503 BFGS: 70 14:23:45 95.054777 3.029842 BFGS: 71 14:23:45 94.598297 3.016232 BFGS: 72 14:23:45 94.144257 3.002673 BFGS: 73 14:23:45 93.692633 2.989163 BFGS: 74 14:23:45 93.243403 2.975704 BFGS: 75 14:23:45 92.796545 2.962295 BFGS: 76 14:23:45 92.352039 2.948935 BFGS: 77 14:23:45 91.909863 2.935626 BFGS: 78 14:23:45 91.469997 2.922366 BFGS: 79 14:23:45 91.032420 2.909156 BFGS: 80 14:23:45 90.597113 2.895995 BFGS: 81 14:23:46 90.164057 2.882883 BFGS: 82 14:23:46 89.733232 2.869820 BFGS: 83 14:23:46 89.304621 2.856807 BFGS: 84 14:23:46 88.878204 2.843842 BFGS: 85 14:23:46 88.453964 2.830926 BFGS: 86 14:23:46 88.031883 2.818059 BFGS: 87 14:23:46 87.611945 2.805240 BFGS: 88 14:23:46 87.194132 2.792469 BFGS: 89 14:23:46 86.778428 2.779746 BFGS: 90 14:23:46 86.364817 2.767071 BFGS: 91 14:23:46 85.953283 2.754444 BFGS: 92 14:23:46 85.543810 2.741864 BFGS: 93 14:23:46 85.136384 2.729332 BFGS: 94 14:23:46 84.730988 2.716846 BFGS: 95 14:23:46 84.327610 2.704408 BFGS: 96 14:23:46 83.926234 2.692017 BFGS: 97 14:23:46 83.526846 2.679672 BFGS: 98 14:23:46 83.129433 2.667373 BFGS: 99 14:23:46 82.733980 2.655121 BFGS: 100 14:23:46 82.340476 2.642915 BFGS: 101 14:23:46 81.948906 2.630755 BFGS: 102 14:23:46 81.559258 2.618640 BFGS: 103 14:23:46 81.171520 2.606571 BFGS: 104 14:23:46 80.785679 2.594547 BFGS: 105 14:23:47 80.401723 2.582568 BFGS: 106 14:23:47 80.019640 2.570634 BFGS: 107 14:23:47 79.639419 2.558745 BFGS: 108 14:23:47 79.261048 2.546900 BFGS: 109 14:23:47 78.884517 2.535099 BFGS: 110 14:23:47 78.509814 2.523343 BFGS: 111 14:23:47 78.136928 2.511630 BFGS: 112 14:23:47 77.765848 2.499961 BFGS: 113 14:23:47 77.396565 2.488336 BFGS: 114 14:23:47 77.029069 2.476753 BFGS: 115 14:23:47 76.663348 2.465214 BFGS: 116 14:23:47 76.299393 2.453718 BFGS: 117 14:23:47 75.937195 2.442264 BFGS: 118 14:23:47 75.576744 2.430853 BFGS: 119 14:23:47 75.218031 2.419484 BFGS: 120 14:23:47 74.861045 2.408158 BFGS: 121 14:23:47 74.505779 2.396873 BFGS: 122 14:23:47 74.152223 2.385630 BFGS: 123 14:23:47 73.800369 2.374428 BFGS: 124 14:23:47 73.450207 2.363267 BFGS: 125 14:23:47 73.101730 2.352148 BFGS: 126 14:23:47 72.754928 2.341069 BFGS: 127 14:23:47 72.409795 2.330032 BFGS: 128 14:23:48 72.066320 2.319034 BFGS: 129 14:23:48 71.724497 2.308077 BFGS: 130 14:23:48 71.384318 2.297160 BFGS: 131 14:23:48 71.045774 2.286283 BFGS: 132 14:23:48 70.708858 2.275446 BFGS: 133 14:23:48 70.373563 2.264648 BFGS: 134 14:23:48 70.039881 2.253890 BFGS: 135 14:23:48 69.707804 2.243170 BFGS: 136 14:23:48 69.377326 2.232490 BFGS: 137 14:23:48 69.048439 2.221848 BFGS: 138 14:23:48 68.721136 2.211245 BFGS: 139 14:23:48 68.395410 2.200681 BFGS: 140 14:23:48 68.071254 2.190154 BFGS: 141 14:23:48 67.748662 2.179666 BFGS: 142 14:23:48 67.427626 2.169215 BFGS: 143 14:23:48 67.108140 2.158841 BFGS: 144 14:23:48 66.790187 2.148575 BFGS: 145 14:23:48 66.473760 2.138345 BFGS: 146 14:23:48 66.158851 2.128149 BFGS: 147 14:23:48 65.845454 2.117988 BFGS: 148 14:23:48 65.533564 2.107862 BFGS: 149 14:23:48 65.223174 2.097771 BFGS: 150 14:23:48 64.914277 2.087713 BFGS: 151 14:23:48 64.606868 2.077690 BFGS: 152 14:23:48 64.300941 2.067702 BFGS: 153 14:23:48 63.996490 2.057747 BFGS: 154 14:23:48 63.693510 2.047826 BFGS: 155 14:23:48 63.391993 2.037939 BFGS: 156 14:23:48 63.091935 2.028086 BFGS: 157 14:23:48 62.793331 2.018266 BFGS: 158 14:23:48 62.496174 2.008480 BFGS: 159 14:23:48 62.200459 1.998726 BFGS: 160 14:23:48 61.906180 1.989007 BFGS: 161 14:23:48 61.613333 1.979320 BFGS: 162 14:23:48 61.321912 1.969666 BFGS: 163 14:23:49 61.031911 1.960045 BFGS: 164 14:23:49 60.743326 1.950456 BFGS: 165 14:23:49 60.456150 1.940900 BFGS: 166 14:23:49 60.170380 1.931376 BFGS: 167 14:23:49 59.886010 1.921885 BFGS: 168 14:23:49 59.603035 1.912426 BFGS: 169 14:23:49 59.321450 1.902999 BFGS: 170 14:23:49 59.041250 1.893603 BFGS: 171 14:23:49 58.762431 1.884240 BFGS: 172 14:23:49 58.484986 1.874908 BFGS: 173 14:23:49 58.208912 1.865607 BFGS: 174 14:23:49 57.934203 1.856338 BFGS: 175 14:23:49 57.660856 1.847101 BFGS: 176 14:23:49 57.388864 1.837894 BFGS: 177 14:23:49 57.118224 1.828718 BFGS: 178 14:23:49 56.848931 1.819573 BFGS: 179 14:23:49 56.580981 1.810459 BFGS: 180 14:23:49 56.314368 1.801375 BFGS: 181 14:23:49 56.049088 1.792322 BFGS: 182 14:23:49 55.785136 1.783299 BFGS: 183 14:23:49 55.522509 1.774307 BFGS: 184 14:23:49 55.261202 1.765344 BFGS: 185 14:23:49 55.001210 1.756412 BFGS: 186 14:23:49 54.742528 1.747509 BFGS: 187 14:23:49 54.485154 1.738636 BFGS: 188 14:23:50 54.229081 1.729793 BFGS: 189 14:23:50 53.974306 1.720979 BFGS: 190 14:23:50 53.720825 1.712194 BFGS: 191 14:23:50 53.468633 1.703439 BFGS: 192 14:23:50 53.217727 1.694712 BFGS: 193 14:23:50 52.968101 1.686015 BFGS: 194 14:23:50 52.719752 1.677347 BFGS: 195 14:23:50 52.472676 1.668707 BFGS: 196 14:23:50 52.226868 1.660096 BFGS: 197 14:23:50 51.982324 1.651513 BFGS: 198 14:23:50 51.739040 1.642959 BFGS: 199 14:23:50 51.497013 1.634433 BFGS: 200 14:23:50 51.256238 1.625935 BFGS: 201 14:23:50 51.016711 1.617465 BFGS: 202 14:23:50 50.778428 1.609023 BFGS: 203 14:23:50 50.541385 1.600609 BFGS: 204 14:23:50 50.305578 1.592222 BFGS: 205 14:23:50 50.071003 1.583863 BFGS: 206 14:23:50 49.837657 1.575531 BFGS: 207 14:23:50 49.605535 1.567227 BFGS: 208 14:23:50 49.374634 1.558950 BFGS: 209 14:23:50 49.144949 1.550700 BFGS: 210 14:23:50 48.916477 1.542477 BFGS: 211 14:23:51 48.689214 1.534280 BFGS: 212 14:23:51 48.463135 1.526262 BFGS: 213 14:23:51 48.238207 1.518284 BFGS: 214 14:23:51 48.014425 1.510333 BFGS: 215 14:23:51 47.791786 1.502408 BFGS: 216 14:23:51 47.570286 1.494508 BFGS: 217 14:23:51 47.349912 1.486847 BFGS: 218 14:23:51 47.130641 1.479283 BFGS: 219 14:23:51 46.912472 1.471745 BFGS: 220 14:23:51 46.695400 1.464234 BFGS: 221 14:23:51 46.479421 1.456749 BFGS: 222 14:23:51 46.264531 1.449291 BFGS: 223 14:23:51 46.050727 1.441859 BFGS: 224 14:23:51 45.838005 1.434453 BFGS: 225 14:23:51 45.626361 1.427072 BFGS: 226 14:23:51 45.415792 1.419717 BFGS: 227 14:23:51 45.206295 1.412387 BFGS: 228 14:23:51 44.997864 1.405082 BFGS: 229 14:23:51 44.790499 1.397802 BFGS: 230 14:23:51 44.584193 1.390547 BFGS: 231 14:23:51 44.378945 1.383317 BFGS: 232 14:23:51 44.174750 1.376111 BFGS: 233 14:23:51 43.971601 1.368930 BFGS: 234 14:23:51 43.769485 1.361773 BFGS: 235 14:23:51 43.568396 1.354641 BFGS: 236 14:23:51 43.368333 1.347533 BFGS: 237 14:23:52 43.169291 1.340449 BFGS: 238 14:23:52 42.971268 1.333389 BFGS: 239 14:23:52 42.774260 1.326353 BFGS: 240 14:23:52 42.578265 1.319341 BFGS: 241 14:23:52 42.383279 1.312352 BFGS: 242 14:23:52 42.189298 1.305423 BFGS: 243 14:23:52 41.996313 1.298559 BFGS: 244 14:23:52 41.804319 1.291716 BFGS: 245 14:23:52 41.613314 1.284894 BFGS: 246 14:23:52 41.423295 1.278093 BFGS: 247 14:23:52 41.234257 1.271313 BFGS: 248 14:23:52 41.046199 1.264554 BFGS: 249 14:23:52 40.859118 1.257816 BFGS: 250 14:23:52 40.673010 1.251098 BFGS: 251 14:23:52 40.487872 1.244401 BFGS: 252 14:23:52 40.303701 1.237725 BFGS: 253 14:23:52 40.120496 1.231069 BFGS: 254 14:23:52 39.938251 1.224434 BFGS: 255 14:23:52 39.756966 1.217819 BFGS: 256 14:23:52 39.576636 1.211225 BFGS: 257 14:23:52 39.397260 1.204650 BFGS: 258 14:23:52 39.218833 1.198096 BFGS: 259 14:23:52 39.041354 1.191562 BFGS: 260 14:23:53 38.864820 1.185047 BFGS: 261 14:23:53 38.689227 1.178553 BFGS: 262 14:23:53 38.514573 1.172078 BFGS: 263 14:23:53 38.340855 1.165623 BFGS: 264 14:23:53 38.168070 1.159188 BFGS: 265 14:23:53 37.996216 1.152772 BFGS: 266 14:23:53 37.825289 1.146376 BFGS: 267 14:23:53 37.655288 1.139999 BFGS: 268 14:23:53 37.486209 1.133642 BFGS: 269 14:23:53 37.318050 1.127303 BFGS: 270 14:23:53 37.150808 1.120984 BFGS: 271 14:23:53 36.984480 1.114684 BFGS: 272 14:23:53 36.819064 1.108403 BFGS: 273 14:23:53 36.654553 1.102189 BFGS: 274 14:23:53 36.490924 1.096039 BFGS: 275 14:23:53 36.328173 1.089909 BFGS: 276 14:23:54 36.166293 1.083905 BFGS: 277 14:23:54 36.005273 1.077952 BFGS: 278 14:23:54 35.845112 1.072019 BFGS: 279 14:23:54 35.685800 1.066293 BFGS: 280 14:23:54 35.527324 1.060654 BFGS: 281 14:23:54 35.369682 1.055032 BFGS: 282 14:23:54 35.212870 1.049428 BFGS: 283 14:23:54 35.056884 1.043841 BFGS: 284 14:23:54 34.901720 1.038272 BFGS: 285 14:23:54 34.747375 1.032720 BFGS: 286 14:23:54 34.593845 1.027186 BFGS: 287 14:23:54 34.441125 1.021669 BFGS: 288 14:23:54 34.289212 1.016168 BFGS: 289 14:23:54 34.138102 1.010685 BFGS: 290 14:23:54 33.987792 1.005219 BFGS: 291 14:23:54 33.838278 0.999770 BFGS: 292 14:23:54 33.689551 0.994492 BFGS: 293 14:23:54 33.541592 0.989351 BFGS: 294 14:23:54 33.394397 0.984227 BFGS: 295 14:23:54 33.247962 0.979121 BFGS: 296 14:23:55 33.102282 0.974032 BFGS: 297 14:23:55 32.957355 0.968960 BFGS: 298 14:23:55 32.813176 0.963906 BFGS: 299 14:23:55 32.669742 0.958868 BFGS: 300 14:23:55 32.527049 0.953847 BFGS: 301 14:23:55 32.385092 0.948842 BFGS: 302 14:23:55 32.243869 0.943855 BFGS: 303 14:23:55 32.103376 0.938883 BFGS: 304 14:23:55 31.963609 0.933928 BFGS: 305 14:23:55 31.824564 0.928990 BFGS: 306 14:23:55 31.686237 0.924067 BFGS: 307 14:23:55 31.548627 0.919161 BFGS: 308 14:23:55 31.411727 0.914271 BFGS: 309 14:23:55 31.275536 0.909397 BFGS: 310 14:23:55 31.140050 0.904538 BFGS: 311 14:23:55 31.005265 0.899695 BFGS: 312 14:23:55 30.871177 0.894868 BFGS: 313 14:23:55 30.737781 0.890170 BFGS: 314 14:23:55 30.605047 0.885667 BFGS: 315 14:23:55 30.472966 0.881175 BFGS: 316 14:23:55 30.341535 0.876694 BFGS: 317 14:23:55 30.210751 0.872224 BFGS: 318 14:23:55 30.080609 0.868058 BFGS: 319 14:23:55 29.951107 0.863937 BFGS: 320 14:23:55 29.822241 0.859839 BFGS: 321 14:23:56 29.694007 0.855764 BFGS: 322 14:23:56 29.566402 0.851713 BFGS: 323 14:23:56 29.439422 0.847685 BFGS: 324 14:23:56 29.313066 0.843679 BFGS: 325 14:23:56 29.187328 0.839695 BFGS: 326 14:23:56 29.062206 0.835733 BFGS: 327 14:23:56 28.937698 0.831792 BFGS: 328 14:23:56 28.813799 0.827873 BFGS: 329 14:23:56 28.690507 0.823975 BFGS: 330 14:23:56 28.567810 0.820190 BFGS: 331 14:23:56 28.445665 0.816503 BFGS: 332 14:23:56 28.324064 0.812845 BFGS: 333 14:23:56 28.203001 0.809216 BFGS: 334 14:23:56 28.082475 0.805614 BFGS: 335 14:23:56 27.962479 0.802040 BFGS: 336 14:23:56 27.843012 0.798493 BFGS: 337 14:23:56 27.724068 0.794971 BFGS: 338 14:23:56 27.605646 0.791476 BFGS: 339 14:23:56 27.487740 0.788005 BFGS: 340 14:23:56 27.370348 0.784558 BFGS: 341 14:23:57 27.253467 0.781135 BFGS: 342 14:23:57 27.137093 0.777736 BFGS: 343 14:23:57 27.021223 0.774360 BFGS: 344 14:23:57 26.905855 0.771006 BFGS: 345 14:23:57 26.790984 0.767674 BFGS: 346 14:23:57 26.676609 0.764364 BFGS: 347 14:23:57 26.562726 0.761074 BFGS: 348 14:23:57 26.449333 0.757806 BFGS: 349 14:23:57 26.336427 0.754558 BFGS: 350 14:23:57 26.224004 0.751331 BFGS: 351 14:23:57 26.112063 0.748123 BFGS: 352 14:23:57 26.000601 0.744934 BFGS: 353 14:23:57 25.889615 0.741765 BFGS: 354 14:23:57 25.779103 0.738614 BFGS: 355 14:23:57 25.669062 0.735481 BFGS: 356 14:23:57 25.559489 0.732367 BFGS: 357 14:23:57 25.450383 0.729276 BFGS: 358 14:23:57 25.341718 0.726345 BFGS: 359 14:23:57 25.233477 0.723425 BFGS: 360 14:23:57 25.125657 0.720517 BFGS: 361 14:23:57 25.018257 0.717620 BFGS: 362 14:23:57 24.911275 0.714734 BFGS: 363 14:23:58 24.804707 0.711860 BFGS: 364 14:23:58 24.698553 0.708997 BFGS: 365 14:23:58 24.592809 0.706146 BFGS: 366 14:23:58 24.487474 0.703306 BFGS: 367 14:23:58 24.382545 0.700477 BFGS: 368 14:23:58 24.278013 0.697851 BFGS: 369 14:23:58 24.173851 0.695328 BFGS: 370 14:23:58 24.070058 0.692814 BFGS: 371 14:23:58 23.966631 0.690308 BFGS: 372 14:23:58 23.863570 0.687812 BFGS: 373 14:23:58 23.760871 0.685325 BFGS: 374 14:23:58 23.658533 0.682847 BFGS: 375 14:23:58 23.556554 0.680377 BFGS: 376 14:23:58 23.454934 0.677917 BFGS: 377 14:23:58 23.353669 0.675466 BFGS: 378 14:23:58 23.252758 0.673023 BFGS: 379 14:23:58 23.152199 0.670590 BFGS: 380 14:23:58 23.051992 0.668165 BFGS: 381 14:23:58 22.952133 0.665750 BFGS: 382 14:23:58 22.852622 0.663343 BFGS: 383 14:23:58 22.753456 0.660946 BFGS: 384 14:23:59 22.654634 0.658557 BFGS: 385 14:23:59 22.556155 0.656177 BFGS: 386 14:23:59 22.458017 0.653806 BFGS: 387 14:23:59 22.360218 0.651456 BFGS: 388 14:23:59 22.262748 0.649143 BFGS: 389 14:23:59 22.165608 0.646835 BFGS: 390 14:23:59 22.068795 0.644534 BFGS: 391 14:23:59 21.972308 0.642237 BFGS: 392 14:23:59 21.876146 0.639947 BFGS: 393 14:23:59 21.780307 0.637662 BFGS: 394 14:23:59 21.684791 0.635382 BFGS: 395 14:23:59 21.589596 0.633108 BFGS: 396 14:23:59 21.494720 0.630840 BFGS: 397 14:23:59 21.400163 0.628578 BFGS: 398 14:23:59 21.305923 0.626365 BFGS: 399 14:23:59 21.211994 0.624218 BFGS: 400 14:23:59 21.118376 0.622076 BFGS: 401 14:23:59 21.025066 0.619938 BFGS: 402 14:23:59 20.932064 0.617806 BFGS: 403 14:23:59 20.839369 0.615678 BFGS: 404 14:24:00 20.746980 0.613555 BFGS: 405 14:24:00 20.654896 0.611437 BFGS: 406 14:24:00 20.563111 0.609324 BFGS: 407 14:24:00 20.471622 0.607218 BFGS: 408 14:24:00 20.380426 0.605120 BFGS: 409 14:24:00 20.289523 0.603029 BFGS: 410 14:24:00 20.198912 0.600945 BFGS: 411 14:24:00 20.108592 0.598869 BFGS: 412 14:24:00 20.018561 0.596799 BFGS: 413 14:24:00 19.928818 0.594737 BFGS: 414 14:24:00 19.839364 0.592681 BFGS: 415 14:24:00 19.750195 0.590632 BFGS: 416 14:24:00 19.661313 0.588590 BFGS: 417 14:24:00 19.572715 0.586554 BFGS: 418 14:24:00 19.484400 0.584524 BFGS: 419 14:24:00 19.396369 0.582501 BFGS: 420 14:24:00 19.308619 0.580484 BFGS: 421 14:24:00 19.221151 0.578473 BFGS: 422 14:24:00 19.133962 0.576468 BFGS: 423 14:24:00 19.047053 0.574468 BFGS: 424 14:24:00 18.960422 0.572475 BFGS: 425 14:24:00 18.874068 0.570488 BFGS: 426 14:24:00 18.787992 0.568506 BFGS: 427 14:24:00 18.702191 0.566530 BFGS: 428 14:24:01 18.616665 0.564560 BFGS: 429 14:24:01 18.531414 0.562595 BFGS: 430 14:24:01 18.446436 0.560635 BFGS: 431 14:24:01 18.361731 0.558681 BFGS: 432 14:24:01 18.277298 0.556732 BFGS: 433 14:24:01 18.193136 0.554789 BFGS: 434 14:24:01 18.109244 0.552850 BFGS: 435 14:24:01 18.025623 0.550917 BFGS: 436 14:24:01 17.942270 0.548989 BFGS: 437 14:24:01 17.859185 0.547066 BFGS: 438 14:24:01 17.776368 0.545147 BFGS: 439 14:24:01 17.693818 0.543234 BFGS: 440 14:24:01 17.611534 0.541326 BFGS: 441 14:24:01 17.529516 0.539422 BFGS: 442 14:24:01 17.447762 0.537523 BFGS: 443 14:24:01 17.366272 0.535629 BFGS: 444 14:24:01 17.285046 0.533739 BFGS: 445 14:24:01 17.204083 0.531854 BFGS: 446 14:24:01 17.123382 0.529974 BFGS: 447 14:24:01 17.042942 0.528098 BFGS: 448 14:24:01 16.962763 0.526226 BFGS: 449 14:24:01 16.882845 0.524359 BFGS: 450 14:24:01 16.803186 0.522496 BFGS: 451 14:24:01 16.723786 0.520638 BFGS: 452 14:24:01 16.644644 0.518784 BFGS: 453 14:24:01 16.565760 0.516934 BFGS: 454 14:24:01 16.487134 0.515089 BFGS: 455 14:24:02 16.408764 0.513247 BFGS: 456 14:24:02 16.330650 0.511410 BFGS: 457 14:24:02 16.252792 0.509577 BFGS: 458 14:24:02 16.175188 0.507748 BFGS: 459 14:24:02 16.097839 0.505922 BFGS: 460 14:24:02 16.020744 0.504101 BFGS: 461 14:24:02 15.943902 0.502284 BFGS: 462 14:24:02 15.867312 0.500471 BFGS: 463 14:24:02 15.790975 0.498661 BFGS: 464 14:24:02 15.714889 0.496855 BFGS: 465 14:24:02 15.639055 0.495054 BFGS: 466 14:24:02 15.563471 0.493255 BFGS: 467 14:24:02 15.488137 0.491461 BFGS: 468 14:24:02 15.413053 0.489670 BFGS: 469 14:24:02 15.338218 0.487883 BFGS: 470 14:24:02 15.263631 0.486100 BFGS: 471 14:24:02 15.189293 0.484320 BFGS: 472 14:24:02 15.115202 0.482543 BFGS: 473 14:24:02 15.041359 0.480771 BFGS: 474 14:24:02 14.967762 0.479001 BFGS: 475 14:24:02 14.894411 0.477235 BFGS: 476 14:24:02 14.821306 0.475473 BFGS: 477 14:24:02 14.748447 0.473714 BFGS: 478 14:24:02 14.675832 0.471958 BFGS: 479 14:24:02 14.603462 0.470205 BFGS: 480 14:24:02 14.531335 0.468456 BFGS: 481 14:24:02 14.459453 0.466710 BFGS: 482 14:24:03 14.387813 0.464967 BFGS: 483 14:24:03 14.316416 0.463228 BFGS: 484 14:24:03 14.245262 0.461491 BFGS: 485 14:24:03 14.174349 0.459758 BFGS: 486 14:24:03 14.103678 0.458028 BFGS: 487 14:24:03 14.033248 0.456301 BFGS: 488 14:24:03 13.963059 0.454577 BFGS: 489 14:24:03 13.893110 0.452856 BFGS: 490 14:24:03 13.823401 0.451138 BFGS: 491 14:24:03 13.753931 0.449423 BFGS: 492 14:24:03 13.684701 0.447711 BFGS: 493 14:24:03 13.615710 0.446001 BFGS: 494 14:24:03 13.546957 0.444295 BFGS: 495 14:24:03 13.478443 0.442591 BFGS: 496 14:24:03 13.410166 0.440890 BFGS: 497 14:24:03 13.342127 0.439192 BFGS: 498 14:24:03 13.274325 0.437497 BFGS: 499 14:24:03 13.206760 0.435805 BFGS: 500 14:24:03 13.139431 0.434115 BFGS: 501 14:24:03 13.072338 0.432428 BFGS: 502 14:24:03 13.005482 0.430743 BFGS: 503 14:24:03 12.938861 0.429061 BFGS: 504 14:24:03 12.872475 0.427382 BFGS: 505 14:24:03 12.806324 0.425705 BFGS: 506 14:24:03 12.740408 0.424031 BFGS: 507 14:24:03 12.674726 0.422359 BFGS: 508 14:24:03 12.609278 0.420690 BFGS: 509 14:24:03 12.544065 0.419023 BFGS: 510 14:24:03 12.479084 0.417359 BFGS: 511 14:24:03 12.414338 0.415697 BFGS: 512 14:24:03 12.349824 0.414037 BFGS: 513 14:24:04 12.285543 0.412380 BFGS: 514 14:24:04 12.221494 0.410725 BFGS: 515 14:24:04 12.157678 0.409073 BFGS: 516 14:24:04 12.094094 0.407422 BFGS: 517 14:24:04 12.030742 0.405774 BFGS: 518 14:24:04 11.967621 0.404159 BFGS: 519 14:24:04 11.904732 0.402605 BFGS: 520 14:24:04 11.842076 0.401053 BFGS: 521 14:24:04 11.779652 0.399502 BFGS: 522 14:24:04 11.717461 0.397952 BFGS: 523 14:24:04 11.655501 0.396404 BFGS: 524 14:24:04 11.593774 0.394857 BFGS: 525 14:24:04 11.532278 0.393312 BFGS: 526 14:24:04 11.471014 0.391768 BFGS: 527 14:24:04 11.409981 0.390226 BFGS: 528 14:24:04 11.349179 0.388685 BFGS: 529 14:24:04 11.288607 0.387145 BFGS: 530 14:24:04 11.228266 0.385607 BFGS: 531 14:24:04 11.168156 0.384071 BFGS: 532 14:24:04 11.108276 0.382536 BFGS: 533 14:24:04 11.048626 0.381002 BFGS: 534 14:24:04 10.989205 0.379470 BFGS: 535 14:24:04 10.930015 0.377939 BFGS: 536 14:24:04 10.871054 0.376409 BFGS: 537 14:24:04 10.812322 0.374881 BFGS: 538 14:24:04 10.753819 0.373355 BFGS: 539 14:24:04 10.695546 0.371830 BFGS: 540 14:24:04 10.637501 0.370306 BFGS: 541 14:24:04 10.579685 0.368784 BFGS: 542 14:24:04 10.522097 0.367264 BFGS: 543 14:24:04 10.464738 0.365745 BFGS: 544 14:24:04 10.407607 0.364227 BFGS: 545 14:24:04 10.350704 0.362711 BFGS: 546 14:24:05 10.294030 0.361196 BFGS: 547 14:24:05 10.237583 0.359682 BFGS: 548 14:24:05 10.181363 0.358171 BFGS: 549 14:24:05 10.125372 0.356660 BFGS: 550 14:24:05 10.069608 0.355151 BFGS: 551 14:24:05 10.014071 0.353644 BFGS: 552 14:24:05 9.958761 0.352138 BFGS: 553 14:24:05 9.903679 0.350633 BFGS: 554 14:24:05 9.848824 0.349130 BFGS: 555 14:24:05 9.794195 0.347629 BFGS: 556 14:24:05 9.739793 0.346129 BFGS: 557 14:24:05 9.685619 0.344630 BFGS: 558 14:24:05 9.631670 0.343133 BFGS: 559 14:24:05 9.577949 0.341638 BFGS: 560 14:24:05 9.524453 0.340144 BFGS: 561 14:24:05 9.471184 0.338651 BFGS: 562 14:24:05 9.418142 0.337161 BFGS: 563 14:24:05 9.365325 0.335671 BFGS: 564 14:24:05 9.312735 0.334183 BFGS: 565 14:24:05 9.260370 0.332697 BFGS: 566 14:24:05 9.208232 0.331212 BFGS: 567 14:24:05 9.156319 0.329729 BFGS: 568 14:24:05 9.104633 0.328247 BFGS: 569 14:24:05 9.053172 0.326767 BFGS: 570 14:24:05 9.001936 0.325289 BFGS: 571 14:24:05 8.950927 0.323812 BFGS: 572 14:24:05 8.900142 0.322337 BFGS: 573 14:24:05 8.849583 0.320863 BFGS: 574 14:24:05 8.799250 0.319391 BFGS: 575 14:24:06 8.749142 0.317921 BFGS: 576 14:24:06 8.699259 0.316452 BFGS: 577 14:24:06 8.649601 0.314985 BFGS: 578 14:24:06 8.600169 0.313520 BFGS: 579 14:24:06 8.550962 0.312056 BFGS: 580 14:24:06 8.501979 0.310594 BFGS: 581 14:24:06 8.453222 0.309134 BFGS: 582 14:24:06 8.404689 0.307675 BFGS: 583 14:24:06 8.356382 0.306218 BFGS: 584 14:24:06 8.308299 0.304763 BFGS: 585 14:24:06 8.260440 0.303309 BFGS: 586 14:24:06 8.212807 0.301858 BFGS: 587 14:24:06 8.165398 0.300408 BFGS: 588 14:24:06 8.118214 0.298960 BFGS: 589 14:24:06 8.071254 0.297514 BFGS: 590 14:24:06 8.024518 0.296069 BFGS: 591 14:24:06 7.978007 0.294627 BFGS: 592 14:24:06 7.931721 0.293186 BFGS: 593 14:24:06 7.885658 0.291747 BFGS: 594 14:24:06 7.839820 0.290310 BFGS: 595 14:24:06 7.794205 0.288875 BFGS: 596 14:24:06 7.748815 0.287442 BFGS: 597 14:24:06 7.703649 0.286011 BFGS: 598 14:24:06 7.658707 0.284582 BFGS: 599 14:24:06 7.613988 0.283154 BFGS: 600 14:24:06 7.569493 0.281729 BFGS: 601 14:24:06 7.525222 0.280306 BFGS: 602 14:24:06 7.481175 0.278885 BFGS: 603 14:24:06 7.437351 0.277466 BFGS: 604 14:24:06 7.393750 0.276048 BFGS: 605 14:24:06 7.350373 0.274634 BFGS: 606 14:24:06 7.307219 0.273221 BFGS: 607 14:24:06 7.264288 0.271810 BFGS: 608 14:24:06 7.221580 0.270401 BFGS: 609 14:24:06 7.179095 0.268995 BFGS: 610 14:24:06 7.136833 0.267591 BFGS: 611 14:24:06 7.094793 0.266189 BFGS: 612 14:24:07 7.052977 0.264789 BFGS: 613 14:24:07 7.011382 0.263392 BFGS: 614 14:24:07 6.970011 0.261997 BFGS: 615 14:24:07 6.928861 0.260604 BFGS: 616 14:24:07 6.887933 0.259213 BFGS: 617 14:24:07 6.847228 0.257825 BFGS: 618 14:24:07 6.806744 0.256439 BFGS: 619 14:24:07 6.766482 0.255056 BFGS: 620 14:24:07 6.726442 0.253675 BFGS: 621 14:24:07 6.686623 0.252296 BFGS: 622 14:24:07 6.647025 0.250920 BFGS: 623 14:24:07 6.607648 0.249547 BFGS: 624 14:24:07 6.568492 0.248176 BFGS: 625 14:24:07 6.529557 0.246807 BFGS: 626 14:24:07 6.490843 0.245441 BFGS: 627 14:24:07 6.452344 0.244100 BFGS: 628 14:24:07 6.414012 0.242802 BFGS: 629 14:24:07 6.375827 0.241505 BFGS: 630 14:24:07 6.337788 0.240209 BFGS: 631 14:24:07 6.299897 0.238916 BFGS: 632 14:24:07 6.262152 0.237624 BFGS: 633 14:24:07 6.224553 0.236334 BFGS: 634 14:24:07 6.187100 0.235046 BFGS: 635 14:24:07 6.149793 0.233759 BFGS: 636 14:24:07 6.112631 0.232474 BFGS: 637 14:24:07 6.075614 0.231191 BFGS: 638 14:24:07 6.038742 0.229909 BFGS: 639 14:24:07 6.002014 0.228629 BFGS: 640 14:24:07 5.965431 0.227351 BFGS: 641 14:24:07 5.928992 0.226074 BFGS: 642 14:24:08 5.892697 0.224958 BFGS: 643 14:24:08 5.856547 0.224112 BFGS: 644 14:24:08 5.820540 0.223269 BFGS: 645 14:24:08 5.784677 0.222429 BFGS: 646 14:24:08 5.748957 0.221591 BFGS: 647 14:24:08 5.713382 0.220755 BFGS: 648 14:24:08 5.677949 0.219922 BFGS: 649 14:24:08 5.642661 0.219092 BFGS: 650 14:24:08 5.607515 0.218264 BFGS: 651 14:24:08 5.572511 0.217438 BFGS: 652 14:24:08 5.537643 0.216614 BFGS: 653 14:24:08 5.502911 0.215793 BFGS: 654 14:24:08 5.468315 0.214974 BFGS: 655 14:24:08 5.433855 0.214158 BFGS: 656 14:24:08 5.399532 0.213343 BFGS: 657 14:24:08 5.365345 0.212531 BFGS: 658 14:24:08 5.331295 0.211722 BFGS: 659 14:24:08 5.297383 0.210914 BFGS: 660 14:24:08 5.263607 0.210109 BFGS: 661 14:24:08 5.229969 0.209306 BFGS: 662 14:24:08 5.196470 0.208505 BFGS: 663 14:24:08 5.163108 0.207706 BFGS: 664 14:24:08 5.129885 0.206909 BFGS: 665 14:24:08 5.096800 0.206114 BFGS: 666 14:24:08 5.063854 0.205322 BFGS: 667 14:24:08 5.031048 0.204531 BFGS: 668 14:24:08 4.998381 0.203743 BFGS: 669 14:24:08 4.965853 0.202956 BFGS: 670 14:24:08 4.933466 0.202172 BFGS: 671 14:24:09 4.901219 0.201389 BFGS: 672 14:24:09 4.869113 0.200609 BFGS: 673 14:24:09 4.837147 0.199830 BFGS: 674 14:24:09 4.805323 0.199054 BFGS: 675 14:24:09 4.773640 0.198279 BFGS: 676 14:24:09 4.742099 0.197506 BFGS: 677 14:24:09 4.710700 0.196736 BFGS: 678 14:24:09 4.679443 0.195967 BFGS: 679 14:24:09 4.648329 0.195200 BFGS: 680 14:24:09 4.617358 0.194434 BFGS: 681 14:24:09 4.586529 0.193671 BFGS: 682 14:24:09 4.555845 0.192909 BFGS: 683 14:24:09 4.525304 0.192150 BFGS: 684 14:24:09 4.494907 0.191391 BFGS: 685 14:24:09 4.464654 0.190635 BFGS: 686 14:24:09 4.434546 0.189881 BFGS: 687 14:24:09 4.404583 0.189128 BFGS: 688 14:24:09 4.374765 0.188377 BFGS: 689 14:24:09 4.345093 0.187627 BFGS: 690 14:24:09 4.315566 0.186880 BFGS: 691 14:24:09 4.286185 0.186133 BFGS: 692 14:24:09 4.256950 0.185389 BFGS: 693 14:24:09 4.227862 0.184646 BFGS: 694 14:24:09 4.198921 0.183905 BFGS: 695 14:24:09 4.170126 0.183165 BFGS: 696 14:24:09 4.141479 0.182428 BFGS: 697 14:24:09 4.112979 0.181691 BFGS: 698 14:24:09 4.084627 0.180956 BFGS: 699 14:24:09 4.056422 0.180223 BFGS: 700 14:24:09 4.028366 0.179491 BFGS: 701 14:24:09 4.000458 0.178761 BFGS: 702 14:24:09 3.972699 0.178032 BFGS: 703 14:24:10 3.945088 0.177305 BFGS: 704 14:24:10 3.917626 0.176616 BFGS: 705 14:24:10 3.890294 0.176026 BFGS: 706 14:24:10 3.863086 0.175438 BFGS: 707 14:24:10 3.836003 0.174850 BFGS: 708 14:24:10 3.809045 0.174263 BFGS: 709 14:24:10 3.782211 0.173677 BFGS: 710 14:24:10 3.755503 0.173091 BFGS: 711 14:24:10 3.728920 0.172507 BFGS: 712 14:24:10 3.702463 0.171922 BFGS: 713 14:24:10 3.676132 0.171339 BFGS: 714 14:24:10 3.649927 0.170756 BFGS: 715 14:24:10 3.623848 0.170175 BFGS: 716 14:24:10 3.597896 0.169593 BFGS: 717 14:24:10 3.572071 0.169013 BFGS: 718 14:24:10 3.546373 0.168433 BFGS: 719 14:24:10 3.520803 0.167853 BFGS: 720 14:24:10 3.495360 0.167275 BFGS: 721 14:24:10 3.470045 0.166697 BFGS: 722 14:24:10 3.444858 0.166119 BFGS: 723 14:24:10 3.419799 0.165542 BFGS: 724 14:24:10 3.394868 0.164966 BFGS: 725 14:24:10 3.370066 0.164390 BFGS: 726 14:24:10 3.345393 0.163815 BFGS: 727 14:24:10 3.320849 0.163240 BFGS: 728 14:24:11 3.296434 0.162666 BFGS: 729 14:24:11 3.272149 0.162093 BFGS: 730 14:24:11 3.247992 0.161519 BFGS: 731 14:24:11 3.223966 0.160947 BFGS: 732 14:24:11 3.200069 0.160375 BFGS: 733 14:24:11 3.176303 0.159803 BFGS: 734 14:24:11 3.152666 0.159232 BFGS: 735 14:24:11 3.129159 0.158661 BFGS: 736 14:24:11 3.105783 0.158091 BFGS: 737 14:24:11 3.082537 0.157521 BFGS: 738 14:24:11 3.059422 0.156952 BFGS: 739 14:24:11 3.036438 0.156383 BFGS: 740 14:24:11 3.013584 0.155814 BFGS: 741 14:24:11 2.990861 0.155246 BFGS: 742 14:24:11 2.968268 0.154678 BFGS: 743 14:24:11 2.945807 0.154111 BFGS: 744 14:24:11 2.923476 0.153544 BFGS: 745 14:24:11 2.901277 0.152977 BFGS: 746 14:24:11 2.879209 0.152411 BFGS: 747 14:24:11 2.857271 0.151845 BFGS: 748 14:24:11 2.835465 0.151279 BFGS: 749 14:24:11 2.813790 0.150714 BFGS: 750 14:24:11 2.792245 0.150149 BFGS: 751 14:24:12 2.770832 0.149584 BFGS: 752 14:24:12 2.749550 0.149020 BFGS: 753 14:24:12 2.728399 0.148456 BFGS: 754 14:24:12 2.707379 0.147892 BFGS: 755 14:24:12 2.686489 0.147329 BFGS: 756 14:24:12 2.665731 0.146765 BFGS: 757 14:24:12 2.645103 0.146202 BFGS: 758 14:24:12 2.624606 0.145639 BFGS: 759 14:24:12 2.604239 0.145077 BFGS: 760 14:24:12 2.584003 0.144515 BFGS: 761 14:24:12 2.563897 0.143952 BFGS: 762 14:24:12 2.543922 0.143391 BFGS: 763 14:24:12 2.524076 0.142829 BFGS: 764 14:24:12 2.504361 0.142267 BFGS: 765 14:24:12 2.484775 0.141706 BFGS: 766 14:24:12 2.465318 0.141145 BFGS: 767 14:24:12 2.445992 0.140584 BFGS: 768 14:24:12 2.426794 0.140024 BFGS: 769 14:24:12 2.407725 0.139463 BFGS: 770 14:24:12 2.388785 0.138903 BFGS: 771 14:24:13 2.369974 0.138343 BFGS: 772 14:24:13 2.351291 0.137783 BFGS: 773 14:24:13 2.332737 0.137223 BFGS: 774 14:24:13 2.314310 0.136663 BFGS: 775 14:24:13 2.296011 0.136104 BFGS: 776 14:24:13 2.277838 0.135544 BFGS: 777 14:24:13 2.259784 0.134985 BFGS: 778 14:24:13 2.241848 0.134426 BFGS: 779 14:24:13 2.224029 0.133868 BFGS: 780 14:24:13 2.206328 0.133310 BFGS: 781 14:24:13 2.188743 0.132752 BFGS: 782 14:24:13 2.171274 0.132195 BFGS: 783 14:24:13 2.153920 0.131638 BFGS: 784 14:24:13 2.136682 0.131082 BFGS: 785 14:24:13 2.119558 0.130526 BFGS: 786 14:24:13 2.102548 0.129970 BFGS: 787 14:24:13 2.085652 0.129414 BFGS: 788 14:24:13 2.068869 0.128859 BFGS: 789 14:24:13 2.052199 0.128304 BFGS: 790 14:24:13 2.035641 0.127749 BFGS: 791 14:24:13 2.019194 0.127195 BFGS: 792 14:24:14 2.002859 0.126641 BFGS: 793 14:24:14 1.986634 0.126087 BFGS: 794 14:24:14 1.970519 0.125533 BFGS: 795 14:24:14 1.954514 0.124980 BFGS: 796 14:24:14 1.938618 0.124427 BFGS: 797 14:24:14 1.922830 0.123874 BFGS: 798 14:24:14 1.907150 0.123322 BFGS: 799 14:24:14 1.891577 0.122770 BFGS: 800 14:24:14 1.876111 0.122218 BFGS: 801 14:24:14 1.860751 0.121666 BFGS: 802 14:24:14 1.845497 0.121114 BFGS: 803 14:24:14 1.830349 0.120563 BFGS: 804 14:24:14 1.815304 0.120012 BFGS: 805 14:24:14 1.800364 0.119461 BFGS: 806 14:24:14 1.785527 0.118910 BFGS: 807 14:24:14 1.770793 0.118360 BFGS: 808 14:24:14 1.756160 0.117810 BFGS: 809 14:24:14 1.741630 0.117260 BFGS: 810 14:24:14 1.727201 0.116710 BFGS: 811 14:24:14 1.712872 0.116160 BFGS: 812 14:24:14 1.698643 0.115611 BFGS: 813 14:24:15 1.684513 0.115062 BFGS: 814 14:24:15 1.670482 0.114513 BFGS: 815 14:24:15 1.656548 0.113964 BFGS: 816 14:24:15 1.642713 0.113416 BFGS: 817 14:24:15 1.628974 0.112867 BFGS: 818 14:24:15 1.615331 0.112319 BFGS: 819 14:24:15 1.601784 0.111771 BFGS: 820 14:24:15 1.588331 0.111223 BFGS: 821 14:24:15 1.574974 0.110676 BFGS: 822 14:24:15 1.561710 0.110128 BFGS: 823 14:24:15 1.548539 0.109581 BFGS: 824 14:24:15 1.535460 0.109034 BFGS: 825 14:24:15 1.522474 0.108487 BFGS: 826 14:24:15 1.509578 0.107940 BFGS: 827 14:24:15 1.496774 0.107394 BFGS: 828 14:24:15 1.484059 0.106847 BFGS: 829 14:24:15 1.471434 0.106301 BFGS: 830 14:24:15 1.458898 0.105755 BFGS: 831 14:24:15 1.446449 0.105209 BFGS: 832 14:24:15 1.434089 0.104664 BFGS: 833 14:24:16 1.421815 0.104118 BFGS: 834 14:24:16 1.409627 0.103573 BFGS: 835 14:24:16 1.397526 0.103028 BFGS: 836 14:24:16 1.385509 0.102483 BFGS: 837 14:24:16 1.373576 0.101938 BFGS: 838 14:24:16 1.361728 0.101394 BFGS: 839 14:24:16 1.349963 0.100849 BFGS: 840 14:24:16 1.338280 0.100305 BFGS: 841 14:24:16 1.326679 0.099761 BFGS: 842 14:24:16 1.315159 0.099217 BFGS: 843 14:24:16 1.303721 0.098674 BFGS: 844 14:24:16 1.292362 0.098130 BFGS: 845 14:24:16 1.281083 0.097587 BFGS: 846 14:24:16 1.269883 0.097044 BFGS: 847 14:24:16 1.258761 0.096501 BFGS: 848 14:24:16 1.247716 0.095959 BFGS: 849 14:24:16 1.236749 0.095416 BFGS: 850 14:24:16 1.225858 0.094874 BFGS: 851 14:24:16 1.215044 0.094332 BFGS: 852 14:24:16 1.204304 0.093790 BFGS: 853 14:24:16 1.193639 0.093249 BFGS: 854 14:24:17 1.183049 0.092707 BFGS: 855 14:24:17 1.172531 0.092166 BFGS: 856 14:24:17 1.162079 0.091636 BFGS: 857 14:24:17 1.151685 0.091109 BFGS: 858 14:24:17 1.141350 0.090584 BFGS: 859 14:24:17 1.131075 0.090059 BFGS: 860 14:24:17 1.120859 0.089536 BFGS: 861 14:24:17 1.110701 0.089013 BFGS: 862 14:24:17 1.100601 0.088492 BFGS: 863 14:24:17 1.090560 0.087973 BFGS: 864 14:24:17 1.080575 0.087454 BFGS: 865 14:24:17 1.070648 0.086936 BFGS: 866 14:24:17 1.060777 0.086420 BFGS: 867 14:24:17 1.050964 0.085905 BFGS: 868 14:24:17 1.041206 0.085391 BFGS: 869 14:24:17 1.031504 0.084878 BFGS: 870 14:24:17 1.021858 0.084366 BFGS: 871 14:24:17 1.012267 0.083855 BFGS: 872 14:24:17 1.002730 0.083346 BFGS: 873 14:24:17 0.993249 0.082837 BFGS: 874 14:24:18 0.983822 0.082330 BFGS: 875 14:24:18 0.974449 0.081823 BFGS: 876 14:24:18 0.965130 0.081318 BFGS: 877 14:24:18 0.955864 0.080814 BFGS: 878 14:24:18 0.946652 0.080311 BFGS: 879 14:24:18 0.937493 0.079809 BFGS: 880 14:24:18 0.928387 0.079308 BFGS: 881 14:24:18 0.919333 0.078808 BFGS: 882 14:24:18 0.910331 0.078309 BFGS: 883 14:24:18 0.901381 0.077811 BFGS: 884 14:24:18 0.892483 0.077314 BFGS: 885 14:24:18 0.883637 0.076819 BFGS: 886 14:24:18 0.874842 0.076324 BFGS: 887 14:24:18 0.866098 0.075830 BFGS: 888 14:24:18 0.857405 0.075338 BFGS: 889 14:24:18 0.848763 0.074846 BFGS: 890 14:24:18 0.840171 0.074355 BFGS: 891 14:24:18 0.831629 0.073866 BFGS: 892 14:24:18 0.823137 0.073377 BFGS: 893 14:24:18 0.814695 0.072890 BFGS: 894 14:24:18 0.806303 0.072708 BFGS: 895 14:24:18 0.797960 0.072686 BFGS: 896 14:24:18 0.789666 0.072663 BFGS: 897 14:24:18 0.781421 0.072640 BFGS: 898 14:24:18 0.773225 0.072615 BFGS: 899 14:24:18 0.765078 0.072589 BFGS: 900 14:24:18 0.756979 0.072562 BFGS: 901 14:24:18 0.748928 0.072534 BFGS: 902 14:24:18 0.740926 0.072505 BFGS: 903 14:24:19 0.732971 0.072474 BFGS: 904 14:24:19 0.725064 0.072442 BFGS: 905 14:24:19 0.717205 0.072409 BFGS: 906 14:24:19 0.709393 0.072374 BFGS: 907 14:24:19 0.701628 0.072337 BFGS: 908 14:24:19 0.693911 0.072298 BFGS: 909 14:24:19 0.686240 0.072258 BFGS: 910 14:24:19 0.678617 0.072216 BFGS: 911 14:24:19 0.671040 0.072172 BFGS: 912 14:24:19 0.663509 0.072126 BFGS: 913 14:24:19 0.656025 0.072078 BFGS: 914 14:24:19 0.648587 0.072028 BFGS: 915 14:24:19 0.641196 0.071976 BFGS: 916 14:24:19 0.633850 0.071922 BFGS: 917 14:24:19 0.626550 0.071865 BFGS: 918 14:24:19 0.619296 0.071806 BFGS: 919 14:24:19 0.612087 0.071745 BFGS: 920 14:24:19 0.604924 0.071682 BFGS: 921 14:24:19 0.597807 0.071616 BFGS: 922 14:24:19 0.590734 0.071548 BFGS: 923 14:24:19 0.583707 0.071477 BFGS: 924 14:24:19 0.576725 0.071404 BFGS: 925 14:24:19 0.569787 0.071328 BFGS: 926 14:24:19 0.562895 0.071249 BFGS: 927 14:24:19 0.556047 0.071168 BFGS: 928 14:24:19 0.549244 0.071084 BFGS: 929 14:24:19 0.542485 0.070998 BFGS: 930 14:24:19 0.535771 0.070908 BFGS: 931 14:24:19 0.529101 0.070816 BFGS: 932 14:24:19 0.522475 0.070721 BFGS: 933 14:24:19 0.515893 0.070623 BFGS: 934 14:24:19 0.509355 0.070523 BFGS: 935 14:24:19 0.502862 0.070419 BFGS: 936 14:24:19 0.496412 0.070313 BFGS: 937 14:24:19 0.490006 0.070203 BFGS: 938 14:24:19 0.483643 0.070091 BFGS: 939 14:24:20 0.477325 0.069975 BFGS: 940 14:24:20 0.471050 0.069857 BFGS: 941 14:24:20 0.464818 0.069735 BFGS: 942 14:24:20 0.458630 0.069611 BFGS: 943 14:24:20 0.452485 0.069483 BFGS: 944 14:24:20 0.446383 0.069352 BFGS: 945 14:24:20 0.440325 0.069218 BFGS: 946 14:24:20 0.434309 0.069081 BFGS: 947 14:24:20 0.428337 0.068941 BFGS: 948 14:24:20 0.422408 0.068797 BFGS: 949 14:24:20 0.416522 0.068650 BFGS: 950 14:24:20 0.410678 0.068500 BFGS: 951 14:24:20 0.404878 0.068347 BFGS: 952 14:24:20 0.399120 0.068190 BFGS: 953 14:24:20 0.393405 0.068030 BFGS: 954 14:24:20 0.387733 0.067867 BFGS: 955 14:24:20 0.382103 0.067701 BFGS: 956 14:24:20 0.376516 0.067531 BFGS: 957 14:24:20 0.370972 0.067358 BFGS: 958 14:24:20 0.365470 0.067181 BFGS: 959 14:24:20 0.360010 0.067002 BFGS: 960 14:24:20 0.354593 0.066818 BFGS: 961 14:24:20 0.349218 0.066632 BFGS: 962 14:24:20 0.343886 0.066442 BFGS: 963 14:24:20 0.338596 0.066248 BFGS: 964 14:24:20 0.333348 0.066051 BFGS: 965 14:24:20 0.328143 0.065851 BFGS: 966 14:24:20 0.322979 0.065647 BFGS: 967 14:24:20 0.317858 0.065440 BFGS: 968 14:24:20 0.312779 0.065229 BFGS: 969 14:24:20 0.307743 0.065015 BFGS: 970 14:24:20 0.302748 0.064797 BFGS: 971 14:24:20 0.297795 0.064576 BFGS: 972 14:24:20 0.292885 0.064351 BFGS: 973 14:24:21 0.288016 0.064123 BFGS: 974 14:24:21 0.283189 0.063891 BFGS: 975 14:24:21 0.278405 0.063655 BFGS: 976 14:24:21 0.273662 0.063417 BFGS: 977 14:24:21 0.268962 0.063174 BFGS: 978 14:24:21 0.264303 0.062928 BFGS: 979 14:24:21 0.259686 0.062678 BFGS: 980 14:24:21 0.255111 0.062425 BFGS: 981 14:24:21 0.250578 0.062168 BFGS: 982 14:24:21 0.246087 0.061908 BFGS: 983 14:24:21 0.241638 0.061644 BFGS: 984 14:24:21 0.237231 0.061376 BFGS: 985 14:24:21 0.232865 0.061105 BFGS: 986 14:24:21 0.228542 0.060830 BFGS: 987 14:24:21 0.224260 0.060551 BFGS: 988 14:24:21 0.220019 0.060099 BFGS: 989 14:24:21 0.215821 0.059599 BFGS: 990 14:24:21 0.211666 0.059099 BFGS: 991 14:24:21 0.207554 0.058597 BFGS: 992 14:24:21 0.203485 0.058095 BFGS: 993 14:24:21 0.199458 0.057592 BFGS: 994 14:24:21 0.195475 0.057088 BFGS: 995 14:24:21 0.191534 0.056583 BFGS: 996 14:24:21 0.187636 0.056078 BFGS: 997 14:24:21 0.183781 0.055571 BFGS: 998 14:24:21 0.179968 0.055064 BFGS: 999 14:24:21 0.176197 0.054556 BFGS: 1000 14:24:21 0.172468 0.054048 BFGS: 1001 14:24:21 0.168782 0.053538 BFGS: 1002 14:24:21 0.165138 0.053028 BFGS: 1003 14:24:21 0.161535 0.052517 BFGS: 1004 14:24:21 0.157975 0.052005 BFGS: 1005 14:24:22 0.154456 0.051492 BFGS: 1006 14:24:22 0.150979 0.050979 BFGS: 1007 14:24:22 0.147544 0.050464 BFGS: 1008 14:24:22 0.144150 0.049949 BFGS: 1009 14:24:22 0.140797 0.049433 BFGS: 1010 14:24:22 0.137487 0.048916 BFGS: 1011 14:24:22 0.134217 0.048399 BFGS: 1012 14:24:22 0.130989 0.047881 BFGS: 1013 14:24:22 0.127802 0.047362 BFGS: 1014 14:24:22 0.124656 0.046842 BFGS: 1015 14:24:22 0.121551 0.046321 BFGS: 1016 14:24:22 0.118487 0.045799 BFGS: 1017 14:24:22 0.115465 0.045277 BFGS: 1018 14:24:22 0.112483 0.044754 BFGS: 1019 14:24:22 0.109542 0.044230 BFGS: 1020 14:24:22 0.106642 0.043705 BFGS: 1021 14:24:22 0.103782 0.043180 BFGS: 1022 14:24:22 0.100963 0.042653 BFGS: 1023 14:24:22 0.098185 0.042126 BFGS: 1024 14:24:22 0.095447 0.041598 BFGS: 1025 14:24:22 0.092750 0.041069 BFGS: 1026 14:24:22 0.090093 0.040539 BFGS: 1027 14:24:22 0.087477 0.040009 BFGS: 1028 14:24:22 0.084901 0.039477 BFGS: 1029 14:24:22 0.082365 0.038945 BFGS: 1030 14:24:22 0.079870 0.038412 BFGS: 1031 14:24:22 0.077415 0.037878 BFGS: 1032 14:24:22 0.075000 0.037343 BFGS: 1033 14:24:22 0.072625 0.036807 BFGS: 1034 14:24:22 0.070290 0.036270 BFGS: 1035 14:24:22 0.067995 0.035733 BFGS: 1036 14:24:22 0.065740 0.035194 BFGS: 1037 14:24:22 0.063525 0.034655 BFGS: 1038 14:24:22 0.061350 0.034115 BFGS: 1039 14:24:22 0.059214 0.033574 BFGS: 1040 14:24:22 0.057119 0.033031 BFGS: 1041 14:24:22 0.055063 0.032488 BFGS: 1042 14:24:22 0.053047 0.031944 BFGS: 1043 14:24:22 0.051071 0.031399 BFGS: 1044 14:24:22 0.049134 0.030853 BFGS: 1045 14:24:22 0.047237 0.030306 BFGS: 1046 14:24:22 0.045379 0.029758 BFGS: 1047 14:24:22 0.043561 0.029209 BFGS: 1048 14:24:22 0.041782 0.028659 BFGS: 1049 14:24:22 0.040042 0.028108 BFGS: 1050 14:24:22 0.038342 0.027556 BFGS: 1051 14:24:22 0.036682 0.027003 BFGS: 1052 14:24:22 0.035060 0.026448 BFGS: 1053 14:24:22 0.033478 0.025893 BFGS: 1054 14:24:23 0.031935 0.025336 BFGS: 1055 14:24:23 0.030431 0.024778 BFGS: 1056 14:24:23 0.028967 0.024219 BFGS: 1057 14:24:23 0.027540 0.023902 BFGS: 1058 14:24:23 0.026150 0.023739 BFGS: 1059 14:24:23 0.024797 0.023566 BFGS: 1060 14:24:23 0.023482 0.023384 BFGS: 1061 14:24:23 0.022203 0.023193 BFGS: 1062 14:24:23 0.020962 0.022993 BFGS: 1063 14:24:23 0.019758 0.022783 BFGS: 1064 14:24:23 0.018590 0.022565 BFGS: 1065 14:24:23 0.017460 0.022337 BFGS: 1066 14:24:23 0.016366 0.022099 BFGS: 1067 14:24:23 0.015309 0.021852 BFGS: 1068 14:24:23 0.014288 0.021595 BFGS: 1069 14:24:23 0.013304 0.021328 BFGS: 1070 14:24:23 0.012357 0.021052 BFGS: 1071 14:24:23 0.011446 0.020765 BFGS: 1072 14:24:23 0.010571 0.020468 BFGS: 1073 14:24:23 0.009733 0.020160 BFGS: 1074 14:24:23 0.008931 0.019842 BFGS: 1075 14:24:23 0.008165 0.019512 BFGS: 1076 14:24:23 0.007436 0.019171 BFGS: 1077 14:24:23 0.006742 0.018819 BFGS: 1078 14:24:23 0.006084 0.018454 BFGS: 1079 14:24:23 0.005463 0.018077 BFGS: 1080 14:24:23 0.004877 0.017687 BFGS: 1081 14:24:23 0.004326 0.017283 BFGS: 1082 14:24:23 0.003812 0.016865 BFGS: 1083 14:24:24 0.003333 0.016431 BFGS: 1084 14:24:24 0.002889 0.015982 BFGS: 1085 14:24:24 0.002481 0.015516 BFGS: 1086 14:24:24 0.002108 0.015032 BFGS: 1087 14:24:24 0.001770 0.014528 BFGS: 1088 14:24:24 0.001467 0.013642 BFGS: 1089 14:24:24 0.001192 0.012276 BFGS: 1090 14:24:24 0.000946 0.010913 BFGS: 1091 14:24:24 0.000729 0.009553 BFGS: 1092 14:24:24 0.000540 0.008196 BFGS: 1093 14:24:24 0.000379 0.006842 BFGS: 1094 14:24:24 0.000247 0.005491 BFGS: 1095 14:24:24 0.000143 0.004143 BFGS: 1096 14:24:24 0.000068 0.002798 BFGS: 1097 14:24:24 0.000020 0.001456 BFGS: 1098 14:24:24 0.000001 0.000264 BFGS: 1099 14:24:24 0.000000 0.000154 BFGS: 1100 14:24:24 0.000000 0.000084 BFGS: 1101 14:24:24 0.000000 0.000000 BFGS: 1102 14:24:24 0.000000 0.000000 Minimization converged after 1102 steps. Maximum force component: 1.1541609419053407e-12 eV/Angstrom Maximum stress component: 3.0763096706302306e-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 2.48246865e-37] [9.99999997e-01 7.73018607e-01 2.11240848e-37] [2.26981393e-01 2.26981400e-01 0.00000000e+00] [2.26981393e-01 3.33333361e-09 0.00000000e+00] [9.99999997e-01 2.26981400e-01 5.18992971e-38] [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([[24.240573494599296, 3.0572877329342598e-18, -1.0828733913093074e-36], [-12.120286747299648, 20.992952448626717, -7.11640841848173e-37], [3.0212381627712487e-37, -1.212811038743981e-36, 24.32953548679797]]) 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] [ 1.16562634e-28 -1.15416094e-12 6.88923178e-50] [ 9.99532696e-13 5.77080471e-13 -7.90972213e-50] [-9.99532696e-13 5.77080471e-13 1.02049035e-50] [-1.16562634e-28 1.15416094e-12 -6.88923178e-50] [-9.99532696e-13 -5.77080471e-13 7.90972213e-50] [ 9.99532696e-13 -5.77080471e-13 -1.02049035e-50] [-9.99532696e-13 -5.77080471e-13 7.90972213e-50] [-1.16562634e-28 1.15416094e-12 -6.88923178e-50] [ 9.99532696e-13 -5.77080471e-13 -1.02049035e-50] [ 9.99532696e-13 5.77080471e-13 -7.90972213e-50] [ 1.16562634e-28 -1.15416094e-12 6.88923178e-50] [-9.99532696e-13 5.77080471e-13 1.02049035e-50]] stress = [-3.07630967e-15 -3.07630967e-15 -1.62309073e-89 -1.53351975e-52 3.82015686e-53 -2.68492218e-32] 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