element(s): ['Si'] AFLOW prototype label: A_hR8_148_cf Parameter names: ['a', 'c/a', 'x1', 'x2', 'y2', 'z2'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['9.4412577', '0.59921929', '0.28578699', '0.47802387', '0.97998916', '0.28193827'] model name: Sim_LAMMPS_Vashishta_VashishtaKaliaRino_1990_SiO__SM_887826436433_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si'] representative atom coordinates = [[0. 0. 0.28578699] [0.73333873 0.76862656 0.24665043]] spacegroup = 148 cell = [[9.4413, 0, 0], [-4.72065, 8.17640564475, 0], [0, 0, 5.6574]] ========================================= Step Time Energy fmax BFGS: 0 15:15:04 2166.134314 100.215373 BFGS: 1 15:15:04 2151.122284 99.338670 BFGS: 2 15:15:04 2136.226145 98.472174 BFGS: 3 15:15:04 2121.501935 97.619840 BFGS: 4 15:15:04 2106.946422 96.781835 BFGS: 5 15:15:04 2092.550922 95.951330 BFGS: 6 15:15:05 2078.310107 95.128668 BFGS: 7 15:15:05 2064.217830 94.320907 BFGS: 8 15:15:05 2050.263151 93.522523 BFGS: 9 15:15:05 2036.444559 92.734139 BFGS: 10 15:15:05 2022.748902 91.955580 BFGS: 11 15:15:05 2009.165098 91.184043 BFGS: 12 15:15:05 1995.698139 90.418299 BFGS: 13 15:15:05 1982.357946 89.664195 BFGS: 14 15:15:05 1969.129970 88.916573 BFGS: 15 15:15:05 1956.010115 88.178955 BFGS: 16 15:15:05 1942.985175 87.446761 BFGS: 17 15:15:05 1930.052429 86.717844 BFGS: 18 15:15:05 1917.214198 85.992818 BFGS: 19 15:15:05 1904.478555 85.273150 BFGS: 20 15:15:05 1891.856033 84.559159 BFGS: 21 15:15:05 1879.355543 83.850328 BFGS: 22 15:15:05 1866.975895 83.147051 BFGS: 23 15:15:05 1854.717492 82.450423 BFGS: 24 15:15:05 1842.584677 81.759431 BFGS: 25 15:15:05 1830.598255 81.075355 BFGS: 26 15:15:05 1818.754275 80.397970 BFGS: 27 15:15:05 1807.048937 79.727058 BFGS: 28 15:15:05 1795.478671 79.062416 BFGS: 29 15:15:05 1784.040041 78.406344 BFGS: 30 15:15:05 1772.725059 77.774364 BFGS: 31 15:15:05 1761.491450 77.147466 BFGS: 32 15:15:05 1750.334730 76.523151 BFGS: 33 15:15:05 1739.255347 75.901445 BFGS: 34 15:15:05 1728.253671 75.282912 BFGS: 35 15:15:05 1717.330765 74.670654 BFGS: 36 15:15:05 1706.483502 74.061776 BFGS: 37 15:15:05 1695.710430 73.461888 BFGS: 38 15:15:05 1685.045436 72.871802 BFGS: 39 15:15:05 1674.485088 72.290385 BFGS: 40 15:15:06 1664.033567 71.721262 BFGS: 41 15:15:06 1653.682860 71.164103 BFGS: 42 15:15:06 1643.417214 70.611699 BFGS: 43 15:15:06 1633.232208 70.065770 BFGS: 44 15:15:06 1623.121115 69.523757 BFGS: 45 15:15:06 1613.081300 68.984828 BFGS: 46 15:15:06 1603.110868 68.454998 BFGS: 47 15:15:06 1593.197223 67.933285 BFGS: 48 15:15:06 1583.329320 67.413852 BFGS: 49 15:15:06 1573.505163 66.897022 BFGS: 50 15:15:06 1563.740319 66.382284 BFGS: 51 15:15:06 1554.038246 65.869733 BFGS: 52 15:15:06 1544.398747 65.359825 BFGS: 53 15:15:07 1534.820482 64.857738 BFGS: 54 15:15:07 1525.300258 64.358467 BFGS: 55 15:15:07 1515.839491 63.865212 BFGS: 56 15:15:07 1506.436437 63.377470 BFGS: 57 15:15:07 1497.089419 62.892919 BFGS: 58 15:15:07 1487.803234 62.411520 BFGS: 59 15:15:07 1478.582156 61.932458 BFGS: 60 15:15:07 1469.427271 61.455785 BFGS: 61 15:15:07 1460.342287 60.981908 BFGS: 62 15:15:07 1451.328525 60.511351 BFGS: 63 15:15:07 1442.388976 60.044655 BFGS: 64 15:15:07 1433.536659 59.584053 BFGS: 65 15:15:07 1424.770550 59.134805 BFGS: 66 15:15:07 1416.083914 58.690932 BFGS: 67 15:15:07 1407.481187 58.260735 BFGS: 68 15:15:07 1398.961326 57.844776 BFGS: 69 15:15:07 1390.521911 57.435514 BFGS: 70 15:15:07 1382.157536 57.032676 BFGS: 71 15:15:07 1373.863483 56.634109 BFGS: 72 15:15:07 1365.637265 56.239650 BFGS: 73 15:15:08 1357.476500 55.849004 BFGS: 74 15:15:08 1349.382273 55.461077 BFGS: 75 15:15:08 1341.353442 55.076373 BFGS: 76 15:15:08 1333.388799 54.703959 BFGS: 77 15:15:08 1325.488963 54.336252 BFGS: 78 15:15:08 1317.655882 53.970616 BFGS: 79 15:15:08 1309.888131 53.606940 BFGS: 80 15:15:08 1302.184287 53.245258 BFGS: 81 15:15:08 1294.542155 52.885860 BFGS: 82 15:15:08 1286.957862 52.530319 BFGS: 83 15:15:08 1279.428620 52.176257 BFGS: 84 15:15:08 1271.953519 51.825024 BFGS: 85 15:15:08 1264.531733 51.475500 BFGS: 86 15:15:08 1257.162464 51.127133 BFGS: 87 15:15:08 1249.844821 50.779820 BFGS: 88 15:15:08 1242.577867 50.433458 BFGS: 89 15:15:08 1235.360524 50.090604 BFGS: 90 15:15:08 1228.191149 49.768785 BFGS: 91 15:15:08 1221.082207 49.449809 BFGS: 92 15:15:08 1214.032820 49.132285 BFGS: 93 15:15:08 1207.041736 48.816063 BFGS: 94 15:15:08 1200.107646 48.500990 BFGS: 95 15:15:08 1193.229201 48.186923 BFGS: 96 15:15:08 1186.405030 47.873720 BFGS: 97 15:15:08 1179.633637 47.561480 BFGS: 98 15:15:08 1172.910279 47.250022 BFGS: 99 15:15:08 1166.230553 46.938910 BFGS: 100 15:15:08 1159.591810 46.629205 BFGS: 101 15:15:08 1152.984951 46.319652 BFGS: 102 15:15:08 1146.408144 46.009851 BFGS: 103 15:15:08 1139.860453 45.699709 BFGS: 104 15:15:09 1133.341037 45.389146 BFGS: 105 15:15:09 1126.849147 45.078347 BFGS: 106 15:15:09 1120.382641 44.769392 BFGS: 107 15:15:09 1113.937781 44.459943 BFGS: 108 15:15:09 1107.514438 44.149808 BFGS: 109 15:15:09 1101.112509 43.838946 BFGS: 110 15:15:09 1094.731543 43.530365 BFGS: 111 15:15:09 1088.368328 43.223455 BFGS: 112 15:15:09 1082.024611 42.917479 BFGS: 113 15:15:09 1075.702010 42.611308 BFGS: 114 15:15:09 1069.396731 42.316683 BFGS: 115 15:15:09 1063.104770 42.039197 BFGS: 116 15:15:09 1056.827027 41.760853 BFGS: 117 15:15:09 1050.564849 41.481620 BFGS: 118 15:15:10 1044.319482 41.201517 BFGS: 119 15:15:10 1038.098173 40.920856 BFGS: 120 15:15:10 1031.904322 40.639716 BFGS: 121 15:15:10 1025.741058 40.358190 BFGS: 122 15:15:10 1019.610189 40.076284 BFGS: 123 15:15:10 1013.513352 39.794003 BFGS: 124 15:15:10 1007.452195 39.511366 BFGS: 125 15:15:10 1001.428145 39.231252 BFGS: 126 15:15:10 995.441931 38.953351 BFGS: 127 15:15:10 989.493683 38.677478 BFGS: 128 15:15:10 983.583325 38.405411 BFGS: 129 15:15:10 977.707139 38.134270 BFGS: 130 15:15:10 971.863982 37.865097 BFGS: 131 15:15:10 966.062891 37.603203 BFGS: 132 15:15:10 960.304278 37.341687 BFGS: 133 15:15:10 954.596822 37.080642 BFGS: 134 15:15:11 948.940767 36.820101 BFGS: 135 15:15:11 943.335605 36.560068 BFGS: 136 15:15:11 937.780754 36.300554 BFGS: 137 15:15:11 932.275352 36.045347 BFGS: 138 15:15:11 926.816216 35.798571 BFGS: 139 15:15:11 921.400628 35.557532 BFGS: 140 15:15:11 916.028718 35.317001 BFGS: 141 15:15:11 910.699986 35.076976 BFGS: 142 15:15:11 905.413930 34.837455 BFGS: 143 15:15:11 900.170055 34.598440 BFGS: 144 15:15:11 894.967875 34.359934 BFGS: 145 15:15:11 889.806919 34.121942 BFGS: 146 15:15:11 884.686732 33.884468 BFGS: 147 15:15:11 879.606880 33.647520 BFGS: 148 15:15:11 874.566947 33.411103 BFGS: 149 15:15:11 869.566538 33.175226 BFGS: 150 15:15:11 864.605278 32.939895 BFGS: 151 15:15:11 859.682813 32.705119 BFGS: 152 15:15:11 854.798805 32.470906 BFGS: 153 15:15:11 849.952934 32.237264 BFGS: 154 15:15:11 845.144897 32.004203 BFGS: 155 15:15:11 840.374400 31.771731 BFGS: 156 15:15:11 835.641164 31.539858 BFGS: 157 15:15:11 830.944918 31.308593 BFGS: 158 15:15:11 826.285396 31.077946 BFGS: 159 15:15:12 821.662339 30.847927 BFGS: 160 15:15:12 817.075340 30.621493 BFGS: 161 15:15:12 812.523816 30.404305 BFGS: 162 15:15:12 808.008448 30.192758 BFGS: 163 15:15:12 803.529383 29.984391 BFGS: 164 15:15:12 799.086974 29.776779 BFGS: 165 15:15:12 794.680713 29.571615 BFGS: 166 15:15:12 790.310064 29.370982 BFGS: 167 15:15:12 785.975774 29.171415 BFGS: 168 15:15:12 781.676940 28.974319 BFGS: 169 15:15:12 777.412885 28.777932 BFGS: 170 15:15:12 773.182931 28.584846 BFGS: 171 15:15:12 768.983935 28.394278 BFGS: 172 15:15:12 764.814732 28.204303 BFGS: 173 15:15:12 760.674775 28.020620 BFGS: 174 15:15:12 756.561413 27.846152 BFGS: 175 15:15:12 752.476800 27.680852 BFGS: 176 15:15:13 748.423103 27.516326 BFGS: 177 15:15:13 744.399903 27.354359 BFGS: 178 15:15:13 740.405000 27.193317 BFGS: 179 15:15:13 736.437905 27.032809 BFGS: 180 15:15:13 732.498440 26.872807 BFGS: 181 15:15:13 728.586422 26.713285 BFGS: 182 15:15:13 724.701658 26.554216 BFGS: 183 15:15:13 720.843952 26.395577 BFGS: 184 15:15:13 717.013057 26.237995 BFGS: 185 15:15:13 713.208484 26.081410 BFGS: 186 15:15:13 709.429934 25.925189 BFGS: 187 15:15:13 705.677147 25.769910 BFGS: 188 15:15:13 701.949866 25.615037 BFGS: 189 15:15:13 698.247831 25.460486 BFGS: 190 15:15:13 694.570714 25.306547 BFGS: 191 15:15:13 690.917159 25.153145 BFGS: 192 15:15:13 687.285905 25.001104 BFGS: 193 15:15:13 683.675808 24.850278 BFGS: 194 15:15:14 680.086818 24.700382 BFGS: 195 15:15:14 676.518416 24.551351 BFGS: 196 15:15:14 672.970002 24.402968 BFGS: 197 15:15:14 669.440648 24.255122 BFGS: 198 15:15:14 665.928708 24.107629 BFGS: 199 15:15:14 662.433053 23.960499 BFGS: 200 15:15:14 658.952649 23.813494 BFGS: 201 15:15:14 655.487452 23.666623 BFGS: 202 15:15:14 652.037407 23.519897 BFGS: 203 15:15:14 648.602458 23.373325 BFGS: 204 15:15:14 645.182544 23.226918 BFGS: 205 15:15:14 641.777601 23.080736 BFGS: 206 15:15:14 638.387506 22.935275 BFGS: 207 15:15:14 635.011918 22.791046 BFGS: 208 15:15:14 631.658314 22.647812 BFGS: 209 15:15:14 628.338569 22.506001 BFGS: 210 15:15:14 625.052559 22.365315 BFGS: 211 15:15:14 621.799745 22.225752 BFGS: 212 15:15:14 618.579577 22.087312 BFGS: 213 15:15:15 615.391503 21.958544 BFGS: 214 15:15:15 612.234966 21.843829 BFGS: 215 15:15:15 609.109413 21.729891 BFGS: 216 15:15:15 606.014291 21.616708 BFGS: 217 15:15:15 602.949010 21.504323 BFGS: 218 15:15:15 599.911896 21.392715 BFGS: 219 15:15:15 596.900790 21.281700 BFGS: 220 15:15:15 593.915174 21.171262 BFGS: 221 15:15:15 590.954544 21.061385 BFGS: 222 15:15:15 588.018411 20.952054 BFGS: 223 15:15:15 585.106300 20.843255 BFGS: 224 15:15:15 582.217751 20.734974 BFGS: 225 15:15:15 579.352321 20.627199 BFGS: 226 15:15:15 576.509580 20.519917 BFGS: 227 15:15:15 573.689111 20.413119 BFGS: 228 15:15:15 570.890515 20.306795 BFGS: 229 15:15:15 568.113403 20.200933 BFGS: 230 15:15:15 565.357402 20.095526 BFGS: 231 15:15:16 562.622154 19.990566 BFGS: 232 15:15:16 559.907311 19.886044 BFGS: 233 15:15:16 557.212539 19.781954 BFGS: 234 15:15:16 554.537518 19.678290 BFGS: 235 15:15:16 551.881820 19.575308 BFGS: 236 15:15:16 549.243806 19.472883 BFGS: 237 15:15:16 546.622598 19.370804 BFGS: 238 15:15:16 544.017929 19.269067 BFGS: 239 15:15:16 541.429545 19.167668 BFGS: 240 15:15:16 538.857204 19.066605 BFGS: 241 15:15:16 536.300679 18.965873 BFGS: 242 15:15:16 533.759715 18.865526 BFGS: 243 15:15:16 531.233311 18.765492 BFGS: 244 15:15:16 528.721115 18.665804 BFGS: 245 15:15:16 526.222140 18.566387 BFGS: 246 15:15:16 523.736238 18.467238 BFGS: 247 15:15:16 521.263262 18.368357 BFGS: 248 15:15:16 518.803076 18.269741 BFGS: 249 15:15:16 516.355549 18.171390 BFGS: 250 15:15:16 513.920555 18.073302 BFGS: 251 15:15:16 511.497976 17.975476 BFGS: 252 15:15:16 509.087699 17.877913 BFGS: 253 15:15:16 506.689595 17.781947 BFGS: 254 15:15:16 504.302984 17.690903 BFGS: 255 15:15:16 501.927459 17.600099 BFGS: 256 15:15:16 499.562935 17.509534 BFGS: 257 15:15:17 497.209330 17.419210 BFGS: 258 15:15:17 494.866568 17.329127 BFGS: 259 15:15:17 492.534572 17.239301 BFGS: 260 15:15:17 490.213131 17.149736 BFGS: 261 15:15:17 487.902087 17.060425 BFGS: 262 15:15:17 485.601406 16.971367 BFGS: 263 15:15:17 483.311050 16.882564 BFGS: 264 15:15:17 481.030986 16.794015 BFGS: 265 15:15:17 478.761180 16.705721 BFGS: 266 15:15:17 476.501600 16.617682 BFGS: 267 15:15:17 474.252215 16.529899 BFGS: 268 15:15:17 472.012994 16.442373 BFGS: 269 15:15:17 469.783908 16.355103 BFGS: 270 15:15:17 467.564929 16.268091 BFGS: 271 15:15:17 465.356027 16.181337 BFGS: 272 15:15:17 463.157173 16.095148 BFGS: 273 15:15:17 460.968314 16.010089 BFGS: 274 15:15:17 458.789538 15.925280 BFGS: 275 15:15:17 456.620791 15.840724 BFGS: 276 15:15:17 454.462025 15.756420 BFGS: 277 15:15:17 452.313191 15.672372 BFGS: 278 15:15:17 450.174245 15.588578 BFGS: 279 15:15:17 448.045146 15.505041 BFGS: 280 15:15:17 445.925853 15.421762 BFGS: 281 15:15:17 443.816328 15.338741 BFGS: 282 15:15:17 441.716534 15.255978 BFGS: 283 15:15:18 439.626425 15.174024 BFGS: 284 15:15:18 437.545922 15.093274 BFGS: 285 15:15:18 435.475055 15.012791 BFGS: 286 15:15:18 433.413796 14.932573 BFGS: 287 15:15:18 431.362071 14.852875 BFGS: 288 15:15:18 429.319092 14.773530 BFGS: 289 15:15:18 427.284570 14.694438 BFGS: 290 15:15:18 425.258460 14.615596 BFGS: 291 15:15:18 423.240715 14.537003 BFGS: 292 15:15:18 421.231289 14.458658 BFGS: 293 15:15:18 419.230132 14.380560 BFGS: 294 15:15:18 417.237196 14.302707 BFGS: 295 15:15:18 415.252431 14.225100 BFGS: 296 15:15:18 413.275786 14.147736 BFGS: 297 15:15:18 411.307212 14.070616 BFGS: 298 15:15:18 409.346659 13.993738 BFGS: 299 15:15:18 407.394075 13.917102 BFGS: 300 15:15:18 405.449413 13.840706 BFGS: 301 15:15:18 403.512623 13.764551 BFGS: 302 15:15:18 401.583655 13.688635 BFGS: 303 15:15:18 399.662463 13.612958 BFGS: 304 15:15:18 397.748999 13.537519 BFGS: 305 15:15:18 395.843216 13.462317 BFGS: 306 15:15:18 393.945069 13.387351 BFGS: 307 15:15:18 392.054513 13.312622 BFGS: 308 15:15:19 390.171506 13.238127 BFGS: 309 15:15:19 388.296005 13.163867 BFGS: 310 15:15:19 386.427969 13.089839 BFGS: 311 15:15:19 384.567358 13.016045 BFGS: 312 15:15:19 382.714135 12.942482 BFGS: 313 15:15:19 380.868262 12.869150 BFGS: 314 15:15:19 379.029705 12.796048 BFGS: 315 15:15:19 377.198430 12.723234 BFGS: 316 15:15:19 375.374349 12.651301 BFGS: 317 15:15:19 373.557393 12.579589 BFGS: 318 15:15:19 371.747551 12.508096 BFGS: 319 15:15:19 369.944813 12.436821 BFGS: 320 15:15:19 368.149170 12.365763 BFGS: 321 15:15:19 366.360614 12.294919 BFGS: 322 15:15:19 364.579136 12.224290 BFGS: 323 15:15:19 362.804730 12.153873 BFGS: 324 15:15:19 361.037389 12.083668 BFGS: 325 15:15:19 359.277111 12.013673 BFGS: 326 15:15:19 357.523890 11.943889 BFGS: 327 15:15:19 355.777725 11.874313 BFGS: 328 15:15:19 354.038617 11.806330 BFGS: 329 15:15:19 352.306564 11.742619 BFGS: 330 15:15:19 350.581571 11.679080 BFGS: 331 15:15:19 348.863641 11.615711 BFGS: 332 15:15:19 347.152779 11.552508 BFGS: 333 15:15:19 345.448992 11.489471 BFGS: 334 15:15:19 343.752280 11.427064 BFGS: 335 15:15:20 342.062601 11.365286 BFGS: 336 15:15:20 340.379966 11.303647 BFGS: 337 15:15:20 338.704393 11.242395 BFGS: 338 15:15:20 337.035864 11.181973 BFGS: 339 15:15:20 335.374404 11.121675 BFGS: 340 15:15:20 333.720032 11.061499 BFGS: 341 15:15:20 332.072770 11.001445 BFGS: 342 15:15:20 330.432640 10.941512 BFGS: 343 15:15:20 328.799667 10.881699 BFGS: 344 15:15:20 327.173869 10.822343 BFGS: 345 15:15:20 325.555218 10.763130 BFGS: 346 15:15:20 323.943735 10.704023 BFGS: 347 15:15:20 322.339447 10.645023 BFGS: 348 15:15:20 320.742381 10.586128 BFGS: 349 15:15:20 319.152568 10.527339 BFGS: 350 15:15:20 317.570037 10.468655 BFGS: 351 15:15:20 315.994818 10.410076 BFGS: 352 15:15:20 314.426943 10.351603 BFGS: 353 15:15:20 312.866442 10.293422 BFGS: 354 15:15:20 311.313289 10.236262 BFGS: 355 15:15:20 309.767501 10.179206 BFGS: 356 15:15:20 308.229102 10.122255 BFGS: 357 15:15:20 306.698120 10.065407 BFGS: 358 15:15:20 305.174579 10.008664 BFGS: 359 15:15:20 303.658508 9.952026 BFGS: 360 15:15:20 302.149932 9.895492 BFGS: 361 15:15:20 300.648879 9.839064 BFGS: 362 15:15:20 299.155374 9.782742 BFGS: 363 15:15:20 297.669446 9.726525 BFGS: 364 15:15:20 296.191119 9.670416 BFGS: 365 15:15:20 294.720420 9.614413 BFGS: 366 15:15:20 293.257373 9.558519 BFGS: 367 15:15:20 291.802003 9.502733 BFGS: 368 15:15:20 290.354333 9.447057 BFGS: 369 15:15:20 288.914386 9.391490 BFGS: 370 15:15:20 287.482185 9.336035 BFGS: 371 15:15:20 286.057824 9.280695 BFGS: 372 15:15:20 284.642623 9.229504 BFGS: 373 15:15:20 283.236015 9.181331 BFGS: 374 15:15:20 281.838192 9.133325 BFGS: 375 15:15:20 280.449114 9.085486 BFGS: 376 15:15:20 279.068744 9.037812 BFGS: 377 15:15:21 277.697041 8.990303 BFGS: 378 15:15:21 276.333966 8.942960 BFGS: 379 15:15:21 274.979479 8.895781 BFGS: 380 15:15:21 273.633539 8.848768 BFGS: 381 15:15:21 272.296107 8.801919 BFGS: 382 15:15:21 270.967140 8.755234 BFGS: 383 15:15:21 269.646599 8.708714 BFGS: 384 15:15:21 268.334441 8.662358 BFGS: 385 15:15:21 267.030624 8.616167 BFGS: 386 15:15:21 265.735103 8.570216 BFGS: 387 15:15:21 264.447769 8.524607 BFGS: 388 15:15:21 263.168499 8.479160 BFGS: 389 15:15:21 261.897246 8.433875 BFGS: 390 15:15:21 260.633964 8.388751 BFGS: 391 15:15:21 259.378604 8.343790 BFGS: 392 15:15:21 258.131119 8.298991 BFGS: 393 15:15:21 256.891461 8.254356 BFGS: 394 15:15:21 255.659581 8.209883 BFGS: 395 15:15:21 254.435430 8.165573 BFGS: 396 15:15:21 253.218959 8.121427 BFGS: 397 15:15:21 252.010119 8.077444 BFGS: 398 15:15:21 250.808861 8.033624 BFGS: 399 15:15:21 249.615131 7.990053 BFGS: 400 15:15:21 248.428762 7.946926 BFGS: 401 15:15:21 247.249526 7.903959 BFGS: 402 15:15:21 246.077377 7.861152 BFGS: 403 15:15:21 244.912267 7.818506 BFGS: 404 15:15:21 243.754148 7.776021 BFGS: 405 15:15:21 242.602973 7.733697 BFGS: 406 15:15:21 241.458694 7.691535 BFGS: 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6.714921 BFGS: 433 15:15:22 212.875003 6.680219 BFGS: 434 15:15:22 211.891023 6.645649 BFGS: 435 15:15:22 210.911962 6.611208 BFGS: 436 15:15:22 209.937796 6.576898 BFGS: 437 15:15:22 208.968500 6.542716 BFGS: 438 15:15:22 208.004053 6.508663 BFGS: 439 15:15:22 207.044431 6.474737 BFGS: 440 15:15:22 206.089613 6.440938 BFGS: 441 15:15:22 205.139576 6.407264 BFGS: 442 15:15:22 204.194300 6.373716 BFGS: 443 15:15:22 203.253761 6.340292 BFGS: 444 15:15:22 202.317941 6.306992 BFGS: 445 15:15:22 201.386817 6.273815 BFGS: 446 15:15:22 200.460370 6.240759 BFGS: 447 15:15:22 199.538580 6.207825 BFGS: 448 15:15:22 198.621427 6.175012 BFGS: 449 15:15:22 197.708891 6.142318 BFGS: 450 15:15:22 196.800954 6.109742 BFGS: 451 15:15:22 195.897596 6.077285 BFGS: 452 15:15:22 194.998799 6.044945 BFGS: 453 15:15:22 194.104545 6.012721 BFGS: 454 15:15:22 193.214816 5.980613 BFGS: 455 15:15:22 192.329593 5.948620 BFGS: 456 15:15:22 191.448861 5.916740 BFGS: 457 15:15:22 190.572600 5.884974 BFGS: 458 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5.181494 BFGS: 484 15:15:23 168.447973 5.158380 BFGS: 485 15:15:23 167.683453 5.135349 BFGS: 486 15:15:23 166.922507 5.112401 BFGS: 487 15:15:23 166.165119 5.089535 BFGS: 488 15:15:23 165.411273 5.066751 BFGS: 489 15:15:23 164.660955 5.044049 BFGS: 490 15:15:23 163.914148 5.021427 BFGS: 491 15:15:23 163.170838 4.998886 BFGS: 492 15:15:23 162.431010 4.976426 BFGS: 493 15:15:23 161.694649 4.954045 BFGS: 494 15:15:23 160.961739 4.931743 BFGS: 495 15:15:23 160.232267 4.909521 BFGS: 496 15:15:23 159.506217 4.887376 BFGS: 497 15:15:23 158.783576 4.865310 BFGS: 498 15:15:23 158.064329 4.843322 BFGS: 499 15:15:23 157.348461 4.821411 BFGS: 500 15:15:23 156.635959 4.799576 BFGS: 501 15:15:23 155.926809 4.777818 BFGS: 502 15:15:23 155.220996 4.756136 BFGS: 503 15:15:23 154.518506 4.734530 BFGS: 504 15:15:23 153.819327 4.712998 BFGS: 505 15:15:23 153.123445 4.691541 BFGS: 506 15:15:23 152.430845 4.670159 BFGS: 507 15:15:23 151.741515 4.648850 BFGS: 508 15:15:23 151.055442 4.627614 BFGS: 509 15:15:23 150.372612 4.606452 BFGS: 510 15:15:23 149.693012 4.585362 BFGS: 511 15:15:23 149.016629 4.564345 BFGS: 512 15:15:23 148.343452 4.543399 BFGS: 513 15:15:23 147.673466 4.522524 BFGS: 514 15:15:23 147.006659 4.501721 BFGS: 515 15:15:23 146.343019 4.480988 BFGS: 516 15:15:23 145.682534 4.460325 BFGS: 517 15:15:24 145.025191 4.439732 BFGS: 518 15:15:24 144.370978 4.419208 BFGS: 519 15:15:24 143.719883 4.398754 BFGS: 520 15:15:24 143.071894 4.378367 BFGS: 521 15:15:24 142.427000 4.358049 BFGS: 522 15:15:24 141.785187 4.337799 BFGS: 523 15:15:24 141.146446 4.317616 BFGS: 524 15:15:24 140.510764 4.297500 BFGS: 525 15:15:24 139.878130 4.277451 BFGS: 526 15:15:24 139.248526 4.257734 BFGS: 527 15:15:24 138.621883 4.238256 BFGS: 528 15:15:24 137.998162 4.218841 BFGS: 529 15:15:24 137.377352 4.199487 BFGS: 530 15:15:24 136.759443 4.180195 BFGS: 531 15:15:24 136.144408 4.161382 BFGS: 532 15:15:24 135.532152 4.142721 BFGS: 533 15:15:24 134.922652 4.124119 BFGS: 534 15:15:24 134.315897 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15:15:24 119.436222 3.676063 BFGS: 561 15:15:24 118.893906 3.662300 BFGS: 562 15:15:24 118.353603 3.648576 BFGS: 563 15:15:25 117.815309 3.634891 BFGS: 564 15:15:25 117.279021 3.621245 BFGS: 565 15:15:25 116.744734 3.607639 BFGS: 566 15:15:25 116.212442 3.594072 BFGS: 567 15:15:25 115.682142 3.580544 BFGS: 568 15:15:25 115.153827 3.567054 BFGS: 569 15:15:25 114.627494 3.553603 BFGS: 570 15:15:25 114.103137 3.540191 BFGS: 571 15:15:25 113.580750 3.526817 BFGS: 572 15:15:25 113.060330 3.513481 BFGS: 573 15:15:25 112.541870 3.500184 BFGS: 574 15:15:25 112.025365 3.486924 BFGS: 575 15:15:25 111.510810 3.473702 BFGS: 576 15:15:25 110.998200 3.460518 BFGS: 577 15:15:25 110.487530 3.447372 BFGS: 578 15:15:25 109.978793 3.434263 BFGS: 579 15:15:25 109.471985 3.421191 BFGS: 580 15:15:25 108.967100 3.408156 BFGS: 581 15:15:25 108.464133 3.395159 BFGS: 582 15:15:25 107.963078 3.382198 BFGS: 583 15:15:25 107.463931 3.369274 BFGS: 584 15:15:25 106.966685 3.356387 BFGS: 585 15:15:25 106.471336 3.343536 BFGS: 586 15:15:25 105.977877 3.330721 BFGS: 587 15:15:25 105.486305 3.317943 BFGS: 588 15:15:25 104.996612 3.305201 BFGS: 589 15:15:25 104.508795 3.292494 BFGS: 590 15:15:25 104.022847 3.279824 BFGS: 591 15:15:25 103.538764 3.267189 BFGS: 592 15:15:25 103.056540 3.254590 BFGS: 593 15:15:25 102.576170 3.242026 BFGS: 594 15:15:25 102.097648 3.229497 BFGS: 595 15:15:25 101.620970 3.217004 BFGS: 596 15:15:25 101.146130 3.204546 BFGS: 597 15:15:25 100.673123 3.192122 BFGS: 598 15:15:25 100.201944 3.179733 BFGS: 599 15:15:25 99.732587 3.167379 BFGS: 600 15:15:25 99.265048 3.155060 BFGS: 601 15:15:25 98.799321 3.142775 BFGS: 602 15:15:25 98.335401 3.130524 BFGS: 603 15:15:25 97.873284 3.118307 BFGS: 604 15:15:25 97.412964 3.106125 BFGS: 605 15:15:25 96.954436 3.093976 BFGS: 606 15:15:25 96.497695 3.081861 BFGS: 607 15:15:25 96.042736 3.069779 BFGS: 608 15:15:25 95.589554 3.057732 BFGS: 609 15:15:25 95.138144 3.045717 BFGS: 610 15:15:25 94.688501 3.033736 BFGS: 611 15:15:25 94.240621 3.021788 BFGS: 612 15:15:25 93.794497 3.009873 BFGS: 613 15:15:25 93.350127 2.997991 BFGS: 614 15:15:25 92.907503 2.986141 BFGS: 615 15:15:25 92.466623 2.974325 BFGS: 616 15:15:25 92.027480 2.962541 BFGS: 617 15:15:25 91.590070 2.950789 BFGS: 618 15:15:25 91.154389 2.939070 BFGS: 619 15:15:25 90.720431 2.927383 BFGS: 620 15:15:25 90.288192 2.915728 BFGS: 621 15:15:25 89.857667 2.904105 BFGS: 622 15:15:25 89.428851 2.892513 BFGS: 623 15:15:25 89.001740 2.880954 BFGS: 624 15:15:25 88.576329 2.869426 BFGS: 625 15:15:25 88.152613 2.857929 BFGS: 626 15:15:25 87.730588 2.846464 BFGS: 627 15:15:25 87.310249 2.835030 BFGS: 628 15:15:25 86.891591 2.823628 BFGS: 629 15:15:25 86.474610 2.812256 BFGS: 630 15:15:25 86.059301 2.800916 BFGS: 631 15:15:25 85.645660 2.789606 BFGS: 632 15:15:25 85.233683 2.778326 BFGS: 633 15:15:25 84.823364 2.767078 BFGS: 634 15:15:25 84.414699 2.755860 BFGS: 635 15:15:25 84.007684 2.744672 BFGS: 636 15:15:25 83.602315 2.733514 BFGS: 637 15:15:25 83.198586 2.722387 BFGS: 638 15:15:25 82.796494 2.711290 BFGS: 639 15:15:25 82.396034 2.700222 BFGS: 640 15:15:25 81.997201 2.689185 BFGS: 641 15:15:26 81.599992 2.678177 BFGS: 642 15:15:26 81.204402 2.667199 BFGS: 643 15:15:26 80.810427 2.656250 BFGS: 644 15:15:26 80.418062 2.645330 BFGS: 645 15:15:26 80.027303 2.634440 BFGS: 646 15:15:26 79.638146 2.623579 BFGS: 647 15:15:26 79.250586 2.612747 BFGS: 648 15:15:26 78.864620 2.601944 BFGS: 649 15:15:26 78.480243 2.591170 BFGS: 650 15:15:26 78.097451 2.580425 BFGS: 651 15:15:26 77.716239 2.569708 BFGS: 652 15:15:26 77.336604 2.559020 BFGS: 653 15:15:26 76.958542 2.548360 BFGS: 654 15:15:26 76.582048 2.537728 BFGS: 655 15:15:26 76.207118 2.527125 BFGS: 656 15:15:26 75.833748 2.516550 BFGS: 657 15:15:26 75.461934 2.506003 BFGS: 658 15:15:26 75.091671 2.495515 BFGS: 659 15:15:26 74.722903 2.485238 BFGS: 660 15:15:26 74.355654 2.474992 BFGS: 661 15:15:26 73.989917 2.464779 BFGS: 662 15:15:26 73.625689 2.454597 BFGS: 663 15:15:26 73.262962 2.444447 BFGS: 664 15:15:26 72.901731 2.434329 BFGS: 665 15:15:26 72.541992 2.424242 BFGS: 666 15:15:26 72.183737 2.414186 BFGS: 667 15:15:26 71.826952 2.404644 BFGS: 668 15:15:26 71.471505 2.395707 BFGS: 669 15:15:26 71.117316 2.386807 BFGS: 670 15:15:26 70.764377 2.377944 BFGS: 671 15:15:26 70.412680 2.369118 BFGS: 672 15:15:26 70.062218 2.360329 BFGS: 673 15:15:26 69.712983 2.351575 BFGS: 674 15:15:26 69.364966 2.342857 BFGS: 675 15:15:26 69.018161 2.334175 BFGS: 676 15:15:26 68.672559 2.325528 BFGS: 677 15:15:26 68.328155 2.316917 BFGS: 678 15:15:26 67.984940 2.308340 BFGS: 679 15:15:26 67.642908 2.299798 BFGS: 680 15:15:26 67.302051 2.291290 BFGS: 681 15:15:26 66.962364 2.282817 BFGS: 682 15:15:26 66.623839 2.274377 BFGS: 683 15:15:26 66.286470 2.265971 BFGS: 684 15:15:26 65.950251 2.257598 BFGS: 685 15:15:26 65.615175 2.249258 BFGS: 686 15:15:26 65.281237 2.240951 BFGS: 687 15:15:26 64.948430 2.232676 BFGS: 688 15:15:26 64.616748 2.224434 BFGS: 689 15:15:26 64.286186 2.216224 BFGS: 690 15:15:26 63.956739 2.208045 BFGS: 691 15:15:26 63.628401 2.199897 BFGS: 692 15:15:26 63.301166 2.191781 BFGS: 693 15:15:26 62.975029 2.183695 BFGS: 694 15:15:26 62.649985 2.175640 BFGS: 695 15:15:26 62.326030 2.167615 BFGS: 696 15:15:26 62.003158 2.159620 BFGS: 697 15:15:26 61.681364 2.151655 BFGS: 698 15:15:26 61.360645 2.143719 BFGS: 699 15:15:26 61.040995 2.135813 BFGS: 700 15:15:26 60.722410 2.127935 BFGS: 701 15:15:26 60.404886 2.120085 BFGS: 702 15:15:26 60.088419 2.112264 BFGS: 703 15:15:26 59.773004 2.104471 BFGS: 704 15:15:26 59.458637 2.096705 BFGS: 705 15:15:26 59.145315 2.088967 BFGS: 706 15:15:26 58.833034 2.081256 BFGS: 707 15:15:26 58.521791 2.073571 BFGS: 708 15:15:26 58.211581 2.065914 BFGS: 709 15:15:26 57.902401 2.058282 BFGS: 710 15:15:26 57.594248 2.050677 BFGS: 711 15:15:26 57.287119 2.043097 BFGS: 712 15:15:26 56.981010 2.035543 BFGS: 713 15:15:26 56.675919 2.028014 BFGS: 714 15:15:26 56.371841 2.020510 BFGS: 715 15:15:26 56.068775 2.013031 BFGS: 716 15:15:26 55.766718 2.005576 BFGS: 717 15:15:26 55.465667 1.998145 BFGS: 718 15:15:26 55.165618 1.990738 BFGS: 719 15:15:26 54.866570 1.983354 BFGS: 720 15:15:26 54.568521 1.975994 BFGS: 721 15:15:26 54.271466 1.968657 BFGS: 722 15:15:26 53.975406 1.961343 BFGS: 723 15:15:26 53.680336 1.954052 BFGS: 724 15:15:26 53.386255 1.946783 BFGS: 725 15:15:26 53.093160 1.939536 BFGS: 726 15:15:26 52.801050 1.932311 BFGS: 727 15:15:26 52.509923 1.925107 BFGS: 728 15:15:26 52.219776 1.917925 BFGS: 729 15:15:26 51.930609 1.910765 BFGS: 730 15:15:26 51.642418 1.903625 BFGS: 731 15:15:26 51.355202 1.896505 BFGS: 732 15:15:26 51.068960 1.889407 BFGS: 733 15:15:26 50.783690 1.882328 BFGS: 734 15:15:26 50.499390 1.875270 BFGS: 735 15:15:26 50.216059 1.868231 BFGS: 736 15:15:26 49.933695 1.861212 BFGS: 737 15:15:26 49.652297 1.854213 BFGS: 738 15:15:26 49.371864 1.847232 BFGS: 739 15:15:26 49.092393 1.840271 BFGS: 740 15:15:26 48.813885 1.833328 BFGS: 741 15:15:26 48.536338 1.826404 BFGS: 742 15:15:26 48.259750 1.819498 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15:15:26 41.151219 1.639335 BFGS: 770 15:15:26 40.901154 1.632874 BFGS: 771 15:15:26 40.652028 1.626427 BFGS: 772 15:15:26 40.403840 1.619994 BFGS: 773 15:15:26 40.156590 1.613574 BFGS: 774 15:15:26 39.910278 1.607167 BFGS: 775 15:15:26 39.664902 1.600774 BFGS: 776 15:15:26 39.420464 1.594394 BFGS: 777 15:15:26 39.176961 1.588027 BFGS: 778 15:15:26 38.934395 1.581673 BFGS: 779 15:15:27 38.692764 1.575332 BFGS: 780 15:15:27 38.452069 1.569003 BFGS: 781 15:15:27 38.212309 1.562688 BFGS: 782 15:15:27 37.973483 1.556385 BFGS: 783 15:15:27 37.735591 1.550094 BFGS: 784 15:15:27 37.498634 1.543816 BFGS: 785 15:15:27 37.262610 1.537550 BFGS: 786 15:15:27 37.027519 1.531296 BFGS: 787 15:15:27 36.793362 1.525055 BFGS: 788 15:15:27 36.560137 1.518825 BFGS: 789 15:15:27 36.327844 1.512607 BFGS: 790 15:15:27 36.096484 1.506402 BFGS: 791 15:15:27 35.866055 1.500208 BFGS: 792 15:15:27 35.636558 1.494026 BFGS: 793 15:15:27 35.407992 1.487855 BFGS: 794 15:15:27 35.180356 1.481696 BFGS: 795 15:15:27 34.953652 1.475548 BFGS: 796 15:15:27 34.727877 1.469412 BFGS: 797 15:15:27 34.503032 1.463287 BFGS: 798 15:15:27 34.279117 1.457174 BFGS: 799 15:15:27 34.056130 1.451072 BFGS: 800 15:15:27 33.834073 1.444980 BFGS: 801 15:15:27 33.612944 1.438900 BFGS: 802 15:15:27 33.392743 1.432831 BFGS: 803 15:15:27 33.173470 1.426773 BFGS: 804 15:15:27 32.955124 1.420726 BFGS: 805 15:15:27 32.737706 1.414689 BFGS: 806 15:15:27 32.521214 1.408663 BFGS: 807 15:15:27 32.305648 1.402648 BFGS: 808 15:15:27 32.091008 1.396644 BFGS: 809 15:15:27 31.877294 1.390650 BFGS: 810 15:15:27 31.664505 1.384667 BFGS: 811 15:15:27 31.452640 1.378694 BFGS: 812 15:15:27 31.241700 1.372732 BFGS: 813 15:15:27 31.031684 1.366780 BFGS: 814 15:15:27 30.822591 1.360839 BFGS: 815 15:15:27 30.614420 1.354908 BFGS: 816 15:15:27 30.407173 1.348987 BFGS: 817 15:15:27 30.200847 1.343077 BFGS: 818 15:15:27 29.995442 1.337176 BFGS: 819 15:15:27 29.790959 1.331286 BFGS: 820 15:15:27 29.587396 1.325406 BFGS: 821 15:15:27 29.384753 1.319536 BFGS: 822 15:15:27 29.183029 1.313676 BFGS: 823 15:15:27 28.982224 1.307826 BFGS: 824 15:15:27 28.782337 1.301986 BFGS: 825 15:15:27 28.583368 1.296156 BFGS: 826 15:15:27 28.385316 1.290336 BFGS: 827 15:15:27 28.188180 1.284525 BFGS: 828 15:15:27 27.991960 1.278725 BFGS: 829 15:15:27 27.796655 1.272934 BFGS: 830 15:15:27 27.602264 1.267154 BFGS: 831 15:15:27 27.408788 1.261383 BFGS: 832 15:15:27 27.216224 1.255621 BFGS: 833 15:15:27 27.024573 1.249870 BFGS: 834 15:15:27 26.833833 1.244128 BFGS: 835 15:15:27 26.644004 1.238396 BFGS: 836 15:15:27 26.455086 1.232673 BFGS: 837 15:15:27 26.267076 1.226960 BFGS: 838 15:15:27 26.079975 1.221257 BFGS: 839 15:15:27 25.893782 1.215563 BFGS: 840 15:15:27 25.708495 1.209879 BFGS: 841 15:15:27 25.524115 1.204204 BFGS: 842 15:15:27 25.340639 1.198539 BFGS: 843 15:15:27 25.158068 1.192884 BFGS: 844 15:15:27 24.976399 1.187237 BFGS: 845 15:15:27 24.795633 1.181601 BFGS: 846 15:15:27 24.615769 1.175974 BFGS: 847 15:15:27 24.436804 1.170356 BFGS: 848 15:15:27 24.258739 1.164748 BFGS: 849 15:15:27 24.081572 1.159149 BFGS: 850 15:15:27 23.905302 1.153560 BFGS: 851 15:15:27 23.729928 1.147980 BFGS: 852 15:15:27 23.555450 1.142409 BFGS: 853 15:15:27 23.381865 1.136848 BFGS: 854 15:15:27 23.209172 1.131296 BFGS: 855 15:15:27 23.037372 1.125754 BFGS: 856 15:15:27 22.866461 1.120221 BFGS: 857 15:15:27 22.696440 1.114697 BFGS: 858 15:15:27 22.527307 1.109183 BFGS: 859 15:15:27 22.359060 1.103678 BFGS: 860 15:15:27 22.191698 1.098182 BFGS: 861 15:15:27 22.025221 1.092696 BFGS: 862 15:15:27 21.859626 1.087219 BFGS: 863 15:15:27 21.694913 1.081752 BFGS: 864 15:15:27 21.531079 1.076293 BFGS: 865 15:15:27 21.368124 1.070844 BFGS: 866 15:15:27 21.206046 1.065405 BFGS: 867 15:15:27 21.044844 1.059975 BFGS: 868 15:15:27 20.884515 1.054554 BFGS: 869 15:15:27 20.725060 1.049142 BFGS: 870 15:15:27 20.566475 1.043740 BFGS: 871 15:15:27 20.408760 1.038347 BFGS: 872 15:15:27 20.251914 1.032964 BFGS: 873 15:15:27 20.095933 1.027589 BFGS: 874 15:15:27 19.940817 1.022225 BFGS: 875 15:15:27 19.786565 1.016869 BFGS: 876 15:15:27 19.633174 1.011523 BFGS: 877 15:15:27 19.480643 1.006186 BFGS: 878 15:15:27 19.328970 1.000859 BFGS: 879 15:15:27 19.178153 0.995541 BFGS: 880 15:15:27 19.028190 0.990232 BFGS: 881 15:15:27 18.879081 0.984932 BFGS: 882 15:15:27 18.730823 0.979642 BFGS: 883 15:15:27 18.583414 0.974362 BFGS: 884 15:15:27 18.436852 0.969091 BFGS: 885 15:15:27 18.291135 0.963829 BFGS: 886 15:15:27 18.146263 0.958576 BFGS: 887 15:15:27 18.002232 0.953333 BFGS: 888 15:15:27 17.859041 0.948099 BFGS: 889 15:15:27 17.716687 0.942875 BFGS: 890 15:15:27 17.575170 0.937660 BFGS: 891 15:15:27 17.434486 0.932455 BFGS: 892 15:15:27 17.294635 0.927259 BFGS: 893 15:15:27 17.155613 0.922072 BFGS: 894 15:15:27 17.017419 0.916895 BFGS: 895 15:15:27 16.880051 0.911728 BFGS: 896 15:15:27 16.743507 0.906569 BFGS: 897 15:15:27 16.607785 0.901421 BFGS: 898 15:15:27 16.472882 0.896281 BFGS: 899 15:15:27 16.338796 0.891152 BFGS: 900 15:15:27 16.205526 0.886031 BFGS: 901 15:15:27 16.073069 0.880921 BFGS: 902 15:15:27 15.941422 0.875819 BFGS: 903 15:15:27 15.810585 0.870727 BFGS: 904 15:15:27 15.680555 0.865645 BFGS: 905 15:15:27 15.551328 0.860572 BFGS: 906 15:15:27 15.422904 0.855509 BFGS: 907 15:15:27 15.295280 0.850455 BFGS: 908 15:15:27 15.168454 0.845411 BFGS: 909 15:15:27 15.042424 0.840377 BFGS: 910 15:15:27 14.917186 0.835352 BFGS: 911 15:15:27 14.792740 0.830336 BFGS: 912 15:15:27 14.669082 0.825330 BFGS: 913 15:15:27 14.546211 0.820334 BFGS: 914 15:15:27 14.424124 0.815347 BFGS: 915 15:15:27 14.302819 0.810370 BFGS: 916 15:15:27 14.182293 0.805402 BFGS: 917 15:15:28 14.062545 0.800444 BFGS: 918 15:15:28 13.943572 0.795496 BFGS: 919 15:15:28 13.825371 0.790557 BFGS: 920 15:15:28 13.707940 0.785628 BFGS: 921 15:15:28 13.591278 0.780708 BFGS: 922 15:15:28 13.475381 0.775798 BFGS: 923 15:15:28 13.360248 0.770898 BFGS: 924 15:15:28 13.245875 0.766007 BFGS: 925 15:15:28 13.132261 0.761126 BFGS: 926 15:15:28 13.019404 0.756254 BFGS: 927 15:15:28 12.907300 0.751393 BFGS: 928 15:15:28 12.795948 0.746540 BFGS: 929 15:15:28 12.685345 0.741698 BFGS: 930 15:15:28 12.575489 0.736865 BFGS: 931 15:15:28 12.466378 0.732042 BFGS: 932 15:15:28 12.358009 0.727228 BFGS: 933 15:15:28 12.250380 0.722424 BFGS: 934 15:15:28 12.143488 0.717630 BFGS: 935 15:15:28 12.037332 0.712845 BFGS: 936 15:15:28 11.931909 0.708070 BFGS: 937 15:15:28 11.827216 0.703305 BFGS: 938 15:15:28 11.723252 0.698549 BFGS: 939 15:15:28 11.620014 0.693803 BFGS: 940 15:15:28 11.517499 0.689066 BFGS: 941 15:15:28 11.415706 0.684339 BFGS: 942 15:15:28 11.314633 0.679622 BFGS: 943 15:15:28 11.214276 0.674914 BFGS: 944 15:15:28 11.114633 0.670216 BFGS: 945 15:15:28 11.015703 0.665528 BFGS: 946 15:15:28 10.917483 0.660849 BFGS: 947 15:15:28 10.819971 0.656180 BFGS: 948 15:15:28 10.723164 0.651521 BFGS: 949 15:15:28 10.627061 0.646871 BFGS: 950 15:15:28 10.531659 0.642231 BFGS: 951 15:15:28 10.436956 0.637600 BFGS: 952 15:15:28 10.342950 0.632979 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0.515009 BFGS: 980 15:15:28 7.983287 0.511283 BFGS: 981 15:15:28 7.907965 0.507569 BFGS: 982 15:15:28 7.833187 0.503866 BFGS: 983 15:15:28 7.758951 0.500174 BFGS: 984 15:15:28 7.685253 0.496493 BFGS: 985 15:15:28 7.612090 0.492823 BFGS: 986 15:15:28 7.539461 0.489163 BFGS: 987 15:15:28 7.467363 0.485515 BFGS: 988 15:15:28 7.395791 0.481907 BFGS: 989 15:15:28 7.324710 0.478690 BFGS: 990 15:15:28 7.254086 0.475689 BFGS: 991 15:15:28 7.183866 0.472903 BFGS: 992 15:15:28 7.114039 0.470126 BFGS: 993 15:15:28 7.044602 0.467358 BFGS: 994 15:15:28 6.975553 0.464599 BFGS: 995 15:15:28 6.906890 0.461848 BFGS: 996 15:15:28 6.838610 0.459106 BFGS: 997 15:15:28 6.770711 0.456372 BFGS: 998 15:15:28 6.703191 0.453647 BFGS: 999 15:15:28 6.636048 0.450930 BFGS: 1000 15:15:28 6.569280 0.448222 BFGS: 1001 15:15:28 6.502885 0.445521 BFGS: 1002 15:15:28 6.436860 0.442829 BFGS: 1003 15:15:28 6.371205 0.440145 BFGS: 1004 15:15:28 6.305916 0.437468 BFGS: 1005 15:15:28 6.240993 0.434799 BFGS: 1006 15:15:28 6.176433 0.432138 BFGS: 1007 15:15:28 6.112234 0.429485 BFGS: 1008 15:15:28 6.048395 0.426839 BFGS: 1009 15:15:28 5.984914 0.424201 BFGS: 1010 15:15:28 5.921789 0.421570 BFGS: 1011 15:15:28 5.859019 0.418946 BFGS: 1012 15:15:28 5.796602 0.416330 BFGS: 1013 15:15:28 5.734537 0.413720 BFGS: 1014 15:15:28 5.672822 0.411118 BFGS: 1015 15:15:28 5.611456 0.408522 BFGS: 1016 15:15:28 5.550437 0.405934 BFGS: 1017 15:15:28 5.489763 0.403352 BFGS: 1018 15:15:28 5.429435 0.400776 BFGS: 1019 15:15:28 5.369449 0.398208 BFGS: 1020 15:15:28 5.309806 0.395645 BFGS: 1021 15:15:28 5.250503 0.393090 BFGS: 1022 15:15:28 5.191540 0.390540 BFGS: 1023 15:15:28 5.132915 0.387997 BFGS: 1024 15:15:28 5.074628 0.385460 BFGS: 1025 15:15:28 5.016678 0.382929 BFGS: 1026 15:15:28 4.959063 0.380404 BFGS: 1027 15:15:28 4.901782 0.377885 BFGS: 1028 15:15:28 4.844835 0.375371 BFGS: 1029 15:15:28 4.788221 0.372864 BFGS: 1030 15:15:28 4.731938 0.370362 BFGS: 1031 15:15:28 4.675987 0.367866 BFGS: 1032 15:15:28 4.620367 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15:15:29 2.139301 0.243815 BFGS: 1086 15:15:29 2.101382 0.241649 BFGS: 1087 15:15:29 2.063800 0.239486 BFGS: 1088 15:15:29 2.026557 0.237326 BFGS: 1089 15:15:29 1.989653 0.235169 BFGS: 1090 15:15:29 1.953088 0.233016 BFGS: 1091 15:15:29 1.916863 0.230865 BFGS: 1092 15:15:29 1.880979 0.228717 BFGS: 1093 15:15:29 1.845435 0.226572 BFGS: 1094 15:15:29 1.810234 0.224429 BFGS: 1095 15:15:29 1.775374 0.222290 BFGS: 1096 15:15:29 1.740857 0.220153 BFGS: 1097 15:15:29 1.706684 0.218018 BFGS: 1098 15:15:29 1.672854 0.215886 BFGS: 1099 15:15:29 1.639369 0.213757 BFGS: 1100 15:15:29 1.606228 0.211630 BFGS: 1101 15:15:29 1.573433 0.209506 BFGS: 1102 15:15:29 1.540983 0.207383 BFGS: 1103 15:15:29 1.508880 0.205264 BFGS: 1104 15:15:29 1.477124 0.203146 BFGS: 1105 15:15:29 1.445715 0.201030 BFGS: 1106 15:15:29 1.414653 0.198917 BFGS: 1107 15:15:29 1.383939 0.196806 BFGS: 1108 15:15:29 1.353574 0.194697 BFGS: 1109 15:15:29 1.323557 0.192590 BFGS: 1110 15:15:29 1.293890 0.190485 BFGS: 1111 15:15:29 1.264572 0.188382 BFGS: 1112 15:15:29 1.235604 0.186281 BFGS: 1113 15:15:29 1.206986 0.184181 BFGS: 1114 15:15:29 1.178718 0.182084 BFGS: 1115 15:15:29 1.150800 0.179988 BFGS: 1116 15:15:29 1.123234 0.177895 BFGS: 1117 15:15:29 1.096018 0.175802 BFGS: 1118 15:15:29 1.069154 0.173712 BFGS: 1119 15:15:29 1.042641 0.171623 BFGS: 1120 15:15:29 1.016479 0.169536 BFGS: 1121 15:15:29 0.990669 0.167451 BFGS: 1122 15:15:29 0.965210 0.165367 BFGS: 1123 15:15:29 0.940104 0.163285 BFGS: 1124 15:15:29 0.915349 0.161204 BFGS: 1125 15:15:29 0.890945 0.159125 BFGS: 1126 15:15:29 0.866893 0.157047 BFGS: 1127 15:15:29 0.843193 0.154971 BFGS: 1128 15:15:29 0.819845 0.152896 BFGS: 1129 15:15:29 0.796848 0.150823 BFGS: 1130 15:15:29 0.774202 0.148751 BFGS: 1131 15:15:29 0.751907 0.146680 BFGS: 1132 15:15:29 0.729963 0.144611 BFGS: 1133 15:15:29 0.708370 0.142543 BFGS: 1134 15:15:29 0.687127 0.140477 BFGS: 1135 15:15:29 0.666234 0.138411 BFGS: 1136 15:15:29 0.645692 0.136347 BFGS: 1137 15:15:29 0.625498 0.134285 BFGS: 1138 15:15:29 0.605654 0.132223 BFGS: 1139 15:15:29 0.586158 0.130163 BFGS: 1140 15:15:29 0.567011 0.128104 BFGS: 1141 15:15:29 0.548211 0.126047 BFGS: 1142 15:15:29 0.529759 0.123990 BFGS: 1143 15:15:29 0.511653 0.121935 BFGS: 1144 15:15:29 0.493894 0.119881 BFGS: 1145 15:15:29 0.476480 0.117828 BFGS: 1146 15:15:29 0.459411 0.115777 BFGS: 1147 15:15:29 0.442687 0.113726 BFGS: 1148 15:15:29 0.426306 0.111677 BFGS: 1149 15:15:29 0.410268 0.109629 BFGS: 1150 15:15:29 0.394572 0.107582 BFGS: 1151 15:15:29 0.379217 0.105536 BFGS: 1152 15:15:29 0.364203 0.103492 BFGS: 1153 15:15:29 0.349529 0.101448 BFGS: 1154 15:15:29 0.335193 0.099406 BFGS: 1155 15:15:29 0.321195 0.097364 BFGS: 1156 15:15:29 0.307535 0.095324 BFGS: 1157 15:15:29 0.294210 0.093285 BFGS: 1158 15:15:29 0.281220 0.091247 BFGS: 1159 15:15:29 0.268564 0.089211 BFGS: 1160 15:15:29 0.256241 0.087175 BFGS: 1161 15:15:29 0.244250 0.085140 BFGS: 1162 15:15:29 0.232589 0.083107 BFGS: 1163 15:15:29 0.221257 0.081074 BFGS: 1164 15:15:29 0.210254 0.079043 BFGS: 1165 15:15:29 0.199578 0.077012 BFGS: 1166 15:15:29 0.189228 0.074983 BFGS: 1167 15:15:29 0.179201 0.072955 BFGS: 1168 15:15:29 0.169498 0.070928 BFGS: 1169 15:15:29 0.160117 0.068901 BFGS: 1170 15:15:29 0.151055 0.066876 BFGS: 1171 15:15:29 0.142312 0.064852 BFGS: 1172 15:15:29 0.133887 0.062828 BFGS: 1173 15:15:29 0.125777 0.060806 BFGS: 1174 15:15:29 0.117981 0.058785 BFGS: 1175 15:15:29 0.110497 0.056764 BFGS: 1176 15:15:29 0.103324 0.054744 BFGS: 1177 15:15:29 0.096460 0.052726 BFGS: 1178 15:15:29 0.089903 0.050708 BFGS: 1179 15:15:29 0.083651 0.048690 BFGS: 1180 15:15:29 0.077702 0.046674 BFGS: 1181 15:15:29 0.072054 0.044658 BFGS: 1182 15:15:29 0.066684 0.042662 BFGS: 1183 15:15:29 0.061551 0.040677 BFGS: 1184 15:15:29 0.056652 0.038693 BFGS: 1185 15:15:29 0.051986 0.036712 BFGS: 1186 15:15:29 0.047553 0.034733 BFGS: 1187 15:15:29 0.043352 0.033663 BFGS: 1188 15:15:29 0.039381 0.033540 BFGS: 1189 15:15:29 0.035641 0.033393 BFGS: 1190 15:15:30 0.032130 0.033219 BFGS: 1191 15:15:30 0.028847 0.033016 BFGS: 1192 15:15:30 0.025791 0.032782 BFGS: 1193 15:15:30 0.022961 0.032515 BFGS: 1194 15:15:30 0.020356 0.032211 BFGS: 1195 15:15:30 0.017975 0.031868 BFGS: 1196 15:15:30 0.015815 0.031481 BFGS: 1197 15:15:30 0.013876 0.031046 BFGS: 1198 15:15:30 0.012156 0.030555 BFGS: 1199 15:15:30 0.010652 0.030002 BFGS: 1200 15:15:30 0.009360 0.029375 BFGS: 1201 15:15:30 0.008279 0.028660 BFGS: 1202 15:15:30 0.007381 0.027545 BFGS: 1203 15:15:30 0.006567 0.025978 BFGS: 1204 15:15:30 0.005800 0.024352 BFGS: 1205 15:15:30 0.005082 0.022728 BFGS: 1206 15:15:30 0.004411 0.021107 BFGS: 1207 15:15:30 0.003789 0.019487 BFGS: 1208 15:15:30 0.003215 0.017870 BFGS: 1209 15:15:30 0.002689 0.016255 BFGS: 1210 15:15:30 0.002211 0.014642 BFGS: 1211 15:15:30 0.001780 0.013032 BFGS: 1212 15:15:30 0.001397 0.011425 BFGS: 1213 15:15:30 0.001061 0.009821 BFGS: 1214 15:15:30 0.000772 0.008221 BFGS: 1215 15:15:30 0.000531 0.006624 BFGS: 1216 15:15:30 0.000335 0.005032 BFGS: 1217 15:15:30 0.000187 0.003446 BFGS: 1218 15:15:30 0.000084 0.001866 BFGS: 1219 15:15:30 0.000027 0.000640 BFGS: 1220 15:15:30 0.000009 0.000491 BFGS: 1221 15:15:30 0.000001 0.000328 BFGS: 1222 15:15:30 0.000000 0.000111 BFGS: 1223 15:15:30 0.000000 0.000037 BFGS: 1224 15:15:30 -0.000000 0.000000 Minimization converged after 1224 steps. Maximum force component: 5.435873533088383e-10 eV/Angstrom Maximum stress component: 8.729774455325444e-13 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'] basis = [[6.94876664e-31 9.15333272e-31 2.50010321e-01] [6.66666667e-01 3.33333333e-01 5.83343655e-01] [3.33333333e-01 6.66666667e-01 9.16676988e-01] [1.00000000e+00 1.00000000e+00 7.49989679e-01] [6.66666667e-01 3.33333333e-01 8.33230121e-02] [3.33333333e-01 6.66666667e-01 4.16656345e-01] [6.66890307e-01 7.98002041e-01 8.36731453e-02] [2.01997959e-01 8.68888266e-01 8.36731453e-02] [1.31111734e-01 3.33109693e-01 8.36731453e-02] [3.33556974e-01 1.31335375e-01 4.17006479e-01] [8.68664625e-01 2.02221599e-01 4.17006479e-01] [7.97778401e-01 6.66443026e-01 4.17006479e-01] [2.23640674e-04 4.64668708e-01 7.50339812e-01] [5.35331292e-01 5.35554933e-01 7.50339812e-01] [4.64445067e-01 9.99776359e-01 7.50339812e-01] [3.33109693e-01 2.01997959e-01 9.16326855e-01] [7.98002041e-01 1.31111734e-01 9.16326855e-01] [8.68888266e-01 6.66890307e-01 9.16326855e-01] [9.99776359e-01 5.35331292e-01 2.49660188e-01] [4.64668708e-01 4.64445067e-01 2.49660188e-01] [5.35554933e-01 2.23640674e-04 2.49660188e-01] [6.66443026e-01 8.68664625e-01 5.82993521e-01] [1.31335375e-01 7.97778401e-01 5.82993521e-01] [2.02221599e-01 3.33556974e-01 5.82993521e-01]] cellpar = Cell([[32.840101645530304, -3.314329556586389e-11, 2.3137223096691746e-15], [-16.420050822736453, 28.440362287908968, -6.121828941608489e-15], [1.3928075094008064e-15, 1.2933584955985187e-14, 20.000825718246325]]) forces = [[-3.78540645e-26 -3.51512148e-25 -5.43587353e-10] [-3.78540645e-26 -3.51512148e-25 -5.43587353e-10] [-3.78540645e-26 -3.51512148e-25 -5.43587353e-10] [ 3.78540645e-26 3.51512148e-25 5.43587353e-10] [ 3.78540645e-26 3.51512148e-25 5.43587353e-10] [ 3.78540645e-26 3.51512148e-25 5.43587353e-10] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00]] stress = [-2.75314833e-43 -5.66414038e-43 -8.72977446e-13 -5.07859521e-28 -6.16299600e-29 -3.58535746e-44] energy per atom = -1.1102230246251565e-16 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Prototype label changed during relaxation: test template prototype is A_hR8_148_cf, while relaxed is A_hR8_167_ae. Skipping parameter set 0. No parameter sets in this group successfully added a property instance. Skipping this group.