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 16:07:57 2166.134314 100.2154 BFGS: 1 16:07:57 2151.122284 99.3387 BFGS: 2 16:07:57 2136.226145 98.4722 BFGS: 3 16:07:57 2121.501935 97.6198 BFGS: 4 16:07:57 2106.946422 96.7818 BFGS: 5 16:07:57 2092.550922 95.9513 BFGS: 6 16:07:57 2078.310107 95.1287 BFGS: 7 16:07:57 2064.217830 94.3209 BFGS: 8 16:07:57 2050.263151 93.5225 BFGS: 9 16:07:57 2036.444559 92.7341 BFGS: 10 16:07:57 2022.748902 91.9556 BFGS: 11 16:07:57 2009.165098 91.1840 BFGS: 12 16:07:57 1995.698139 90.4183 BFGS: 13 16:07:57 1982.357946 89.6642 BFGS: 14 16:07:57 1969.129970 88.9166 BFGS: 15 16:07:57 1956.010115 88.1790 BFGS: 16 16:07:57 1942.985175 87.4468 BFGS: 17 16:07:57 1930.052429 86.7178 BFGS: 18 16:07:57 1917.214198 85.9928 BFGS: 19 16:07:57 1904.478555 85.2731 BFGS: 20 16:07:57 1891.856033 84.5592 BFGS: 21 16:07:57 1879.355543 83.8503 BFGS: 22 16:07:57 1866.975895 83.1471 BFGS: 23 16:07:57 1854.717492 82.4504 BFGS: 24 16:07:57 1842.584677 81.7594 BFGS: 25 16:07:57 1830.598255 81.0754 BFGS: 26 16:07:57 1818.754275 80.3980 BFGS: 27 16:07:57 1807.048937 79.7271 BFGS: 28 16:07:57 1795.478671 79.0624 BFGS: 29 16:07:57 1784.040041 78.4063 BFGS: 30 16:07:57 1772.725059 77.7744 BFGS: 31 16:07:57 1761.491450 77.1475 BFGS: 32 16:07:57 1750.334730 76.5232 BFGS: 33 16:07:57 1739.255347 75.9014 BFGS: 34 16:07:58 1728.253671 75.2829 BFGS: 35 16:07:58 1717.330765 74.6707 BFGS: 36 16:07:58 1706.483502 74.0618 BFGS: 37 16:07:58 1695.710430 73.4619 BFGS: 38 16:07:58 1685.045436 72.8718 BFGS: 39 16:07:58 1674.485088 72.2904 BFGS: 40 16:07:58 1664.033567 71.7213 BFGS: 41 16:07:58 1653.682860 71.1641 BFGS: 42 16:07:58 1643.417214 70.6117 BFGS: 43 16:07:58 1633.232208 70.0658 BFGS: 44 16:07:58 1623.121115 69.5238 BFGS: 45 16:07:58 1613.081300 68.9848 BFGS: 46 16:07:58 1603.110868 68.4550 BFGS: 47 16:07:58 1593.197223 67.9333 BFGS: 48 16:07:58 1583.329320 67.4139 BFGS: 49 16:07:58 1573.505163 66.8970 BFGS: 50 16:07:58 1563.740319 66.3823 BFGS: 51 16:07:58 1554.038246 65.8697 BFGS: 52 16:07:58 1544.398747 65.3598 BFGS: 53 16:07:58 1534.820482 64.8577 BFGS: 54 16:07:58 1525.300258 64.3585 BFGS: 55 16:07:58 1515.839491 63.8652 BFGS: 56 16:07:58 1506.436437 63.3775 BFGS: 57 16:07:58 1497.089419 62.8929 BFGS: 58 16:07:58 1487.803234 62.4115 BFGS: 59 16:07:58 1478.582156 61.9325 BFGS: 60 16:07:58 1469.427271 61.4558 BFGS: 61 16:07:58 1460.342287 60.9819 BFGS: 62 16:07:58 1451.328525 60.5114 BFGS: 63 16:07:58 1442.388976 60.0447 BFGS: 64 16:07:58 1433.536659 59.5841 BFGS: 65 16:07:58 1424.770550 59.1348 BFGS: 66 16:07:58 1416.083914 58.6909 BFGS: 67 16:07:58 1407.481187 58.2607 BFGS: 68 16:07:58 1398.961326 57.8448 BFGS: 69 16:07:58 1390.521911 57.4355 BFGS: 70 16:07:58 1382.157536 57.0327 BFGS: 71 16:07:58 1373.863483 56.6341 BFGS: 72 16:07:58 1365.637265 56.2397 BFGS: 73 16:07:58 1357.476500 55.8490 BFGS: 74 16:07:58 1349.382273 55.4611 BFGS: 75 16:07:58 1341.353442 55.0764 BFGS: 76 16:07:58 1333.388799 54.7040 BFGS: 77 16:07:58 1325.488963 54.3363 BFGS: 78 16:07:58 1317.655882 53.9706 BFGS: 79 16:07:58 1309.888131 53.6069 BFGS: 80 16:07:58 1302.184287 53.2453 BFGS: 81 16:07:58 1294.542155 52.8859 BFGS: 82 16:07:58 1286.957862 52.5303 BFGS: 83 16:07:58 1279.428620 52.1763 BFGS: 84 16:07:58 1271.953519 51.8250 BFGS: 85 16:07:58 1264.531733 51.4755 BFGS: 86 16:07:58 1257.162464 51.1271 BFGS: 87 16:07:58 1249.844821 50.7798 BFGS: 88 16:07:58 1242.577867 50.4335 BFGS: 89 16:07:59 1235.360524 50.0906 BFGS: 90 16:07:59 1228.191149 49.7688 BFGS: 91 16:07:59 1221.082207 49.4498 BFGS: 92 16:07:59 1214.032820 49.1323 BFGS: 93 16:07:59 1207.041736 48.8161 BFGS: 94 16:07:59 1200.107646 48.5010 BFGS: 95 16:07:59 1193.229201 48.1869 BFGS: 96 16:07:59 1186.405030 47.8737 BFGS: 97 16:07:59 1179.633637 47.5615 BFGS: 98 16:07:59 1172.910279 47.2500 BFGS: 99 16:07:59 1166.230553 46.9389 BFGS: 100 16:07:59 1159.591810 46.6292 BFGS: 101 16:07:59 1152.984951 46.3197 BFGS: 102 16:07:59 1146.408144 46.0099 BFGS: 103 16:07:59 1139.860453 45.6997 BFGS: 104 16:07:59 1133.341037 45.3891 BFGS: 105 16:07:59 1126.849147 45.0783 BFGS: 106 16:07:59 1120.382641 44.7694 BFGS: 107 16:07:59 1113.937781 44.4599 BFGS: 108 16:07:59 1107.514438 44.1498 BFGS: 109 16:08:00 1101.112509 43.8389 BFGS: 110 16:08:00 1094.731543 43.5304 BFGS: 111 16:08:00 1088.368328 43.2235 BFGS: 112 16:08:00 1082.024611 42.9175 BFGS: 113 16:08:00 1075.702010 42.6113 BFGS: 114 16:08:00 1069.396731 42.3167 BFGS: 115 16:08:00 1063.104770 42.0392 BFGS: 116 16:08:00 1056.827027 41.7609 BFGS: 117 16:08:00 1050.564849 41.4816 BFGS: 118 16:08:00 1044.319482 41.2015 BFGS: 119 16:08:00 1038.098173 40.9209 BFGS: 120 16:08:00 1031.904322 40.6397 BFGS: 121 16:08:00 1025.741058 40.3582 BFGS: 122 16:08:01 1019.610189 40.0763 BFGS: 123 16:08:01 1013.513352 39.7940 BFGS: 124 16:08:01 1007.452195 39.5114 BFGS: 125 16:08:01 1001.428145 39.2313 BFGS: 126 16:08:02 995.441931 38.9534 BFGS: 127 16:08:02 989.493683 38.6775 BFGS: 128 16:08:02 983.583325 38.4054 BFGS: 129 16:08:02 977.707139 38.1343 BFGS: 130 16:08:02 971.863982 37.8651 BFGS: 131 16:08:02 966.062891 37.6032 BFGS: 132 16:08:02 960.304278 37.3417 BFGS: 133 16:08:03 954.596822 37.0806 BFGS: 134 16:08:03 948.940767 36.8201 BFGS: 135 16:08:03 943.335605 36.5601 BFGS: 136 16:08:03 937.780754 36.3006 BFGS: 137 16:08:03 932.275352 36.0453 BFGS: 138 16:08:03 926.816216 35.7986 BFGS: 139 16:08:03 921.400628 35.5575 BFGS: 140 16:08:03 916.028718 35.3170 BFGS: 141 16:08:03 910.699986 35.0770 BFGS: 142 16:08:03 905.413930 34.8375 BFGS: 143 16:08:03 900.170055 34.5984 BFGS: 144 16:08:04 894.967875 34.3599 BFGS: 145 16:08:04 889.806919 34.1219 BFGS: 146 16:08:04 884.686732 33.8845 BFGS: 147 16:08:04 879.606880 33.6475 BFGS: 148 16:08:04 874.566947 33.4111 BFGS: 149 16:08:04 869.566538 33.1752 BFGS: 150 16:08:04 864.605278 32.9399 BFGS: 151 16:08:04 859.682813 32.7051 BFGS: 152 16:08:04 854.798805 32.4709 BFGS: 153 16:08:04 849.952934 32.2373 BFGS: 154 16:08:04 845.144897 32.0042 BFGS: 155 16:08:04 840.374400 31.7717 BFGS: 156 16:08:04 835.641164 31.5399 BFGS: 157 16:08:05 830.944918 31.3086 BFGS: 158 16:08:05 826.285396 31.0779 BFGS: 159 16:08:05 821.662339 30.8479 BFGS: 160 16:08:05 817.075340 30.6215 BFGS: 161 16:08:05 812.523816 30.4043 BFGS: 162 16:08:05 808.008448 30.1928 BFGS: 163 16:08:05 803.529383 29.9844 BFGS: 164 16:08:05 799.086974 29.7768 BFGS: 165 16:08:05 794.680713 29.5716 BFGS: 166 16:08:05 790.310064 29.3710 BFGS: 167 16:08:05 785.975774 29.1714 BFGS: 168 16:08:05 781.676940 28.9743 BFGS: 169 16:08:05 777.412885 28.7779 BFGS: 170 16:08:05 773.182931 28.5848 BFGS: 171 16:08:05 768.983935 28.3943 BFGS: 172 16:08:05 764.814732 28.2043 BFGS: 173 16:08:05 760.674775 28.0206 BFGS: 174 16:08:05 756.561413 27.8462 BFGS: 175 16:08:05 752.476800 27.6809 BFGS: 176 16:08:05 748.423103 27.5163 BFGS: 177 16:08:05 744.399903 27.3544 BFGS: 178 16:08:05 740.405000 27.1933 BFGS: 179 16:08:06 736.437905 27.0328 BFGS: 180 16:08:06 732.498440 26.8728 BFGS: 181 16:08:06 728.586422 26.7133 BFGS: 182 16:08:06 724.701658 26.5542 BFGS: 183 16:08:06 720.843952 26.3956 BFGS: 184 16:08:06 717.013057 26.2380 BFGS: 185 16:08:06 713.208484 26.0814 BFGS: 186 16:08:06 709.429934 25.9252 BFGS: 187 16:08:06 705.677147 25.7699 BFGS: 188 16:08:06 701.949866 25.6150 BFGS: 189 16:08:06 698.247831 25.4605 BFGS: 190 16:08:06 694.570714 25.3065 BFGS: 191 16:08:06 690.917159 25.1531 BFGS: 192 16:08:06 687.285905 25.0011 BFGS: 193 16:08:06 683.675808 24.8503 BFGS: 194 16:08:06 680.086818 24.7004 BFGS: 195 16:08:06 676.518416 24.5514 BFGS: 196 16:08:06 672.970002 24.4030 BFGS: 197 16:08:06 669.440648 24.2551 BFGS: 198 16:08:06 665.928708 24.1076 BFGS: 199 16:08:06 662.433053 23.9605 BFGS: 200 16:08:06 658.952649 23.8135 BFGS: 201 16:08:06 655.487452 23.6666 BFGS: 202 16:08:06 652.037407 23.5199 BFGS: 203 16:08:06 648.602458 23.3733 BFGS: 204 16:08:06 645.182544 23.2269 BFGS: 205 16:08:06 641.777601 23.0807 BFGS: 206 16:08:06 638.387506 22.9353 BFGS: 207 16:08:06 635.011918 22.7910 BFGS: 208 16:08:06 631.658314 22.6478 BFGS: 209 16:08:06 628.338569 22.5060 BFGS: 210 16:08:06 625.052559 22.3653 BFGS: 211 16:08:06 621.799745 22.2258 BFGS: 212 16:08:06 618.579577 22.0873 BFGS: 213 16:08:06 615.391503 21.9585 BFGS: 214 16:08:06 612.234966 21.8438 BFGS: 215 16:08:06 609.109413 21.7299 BFGS: 216 16:08:06 606.014291 21.6167 BFGS: 217 16:08:06 602.949010 21.5043 BFGS: 218 16:08:06 599.911896 21.3927 BFGS: 219 16:08:06 596.900790 21.2817 BFGS: 220 16:08:06 593.915174 21.1713 BFGS: 221 16:08:07 590.954544 21.0614 BFGS: 222 16:08:07 588.018411 20.9521 BFGS: 223 16:08:07 585.106300 20.8433 BFGS: 224 16:08:07 582.217751 20.7350 BFGS: 225 16:08:07 579.352321 20.6272 BFGS: 226 16:08:07 576.509580 20.5199 BFGS: 227 16:08:07 573.689111 20.4131 BFGS: 228 16:08:07 570.890515 20.3068 BFGS: 229 16:08:07 568.113403 20.2009 BFGS: 230 16:08:07 565.357402 20.0955 BFGS: 231 16:08:07 562.622154 19.9906 BFGS: 232 16:08:07 559.907311 19.8860 BFGS: 233 16:08:07 557.212539 19.7820 BFGS: 234 16:08:07 554.537518 19.6783 BFGS: 235 16:08:07 551.881820 19.5753 BFGS: 236 16:08:07 549.243806 19.4729 BFGS: 237 16:08:07 546.622598 19.3708 BFGS: 238 16:08:07 544.017929 19.2691 BFGS: 239 16:08:07 541.429545 19.1677 BFGS: 240 16:08:07 538.857204 19.0666 BFGS: 241 16:08:07 536.300679 18.9659 BFGS: 242 16:08:07 533.759715 18.8655 BFGS: 243 16:08:07 531.233311 18.7655 BFGS: 244 16:08:07 528.721115 18.6658 BFGS: 245 16:08:07 526.222140 18.5664 BFGS: 246 16:08:07 523.736238 18.4672 BFGS: 247 16:08:07 521.263262 18.3684 BFGS: 248 16:08:07 518.803076 18.2697 BFGS: 249 16:08:07 516.355549 18.1714 BFGS: 250 16:08:07 513.920555 18.0733 BFGS: 251 16:08:07 511.497976 17.9755 BFGS: 252 16:08:07 509.087699 17.8779 BFGS: 253 16:08:07 506.689595 17.7819 BFGS: 254 16:08:07 504.302984 17.6909 BFGS: 255 16:08:07 501.927459 17.6001 BFGS: 256 16:08:07 499.562935 17.5095 BFGS: 257 16:08:07 497.209330 17.4192 BFGS: 258 16:08:07 494.866568 17.3291 BFGS: 259 16:08:07 492.534572 17.2393 BFGS: 260 16:08:08 490.213131 17.1497 BFGS: 261 16:08:08 487.902087 17.0604 BFGS: 262 16:08:08 485.601406 16.9714 BFGS: 263 16:08:08 483.311050 16.8826 BFGS: 264 16:08:08 481.030986 16.7940 BFGS: 265 16:08:08 478.761180 16.7057 BFGS: 266 16:08:08 476.501600 16.6177 BFGS: 267 16:08:08 474.252215 16.5299 BFGS: 268 16:08:08 472.012994 16.4424 BFGS: 269 16:08:08 469.783908 16.3551 BFGS: 270 16:08:08 467.564929 16.2681 BFGS: 271 16:08:08 465.356027 16.1813 BFGS: 272 16:08:08 463.157173 16.0951 BFGS: 273 16:08:08 460.968314 16.0101 BFGS: 274 16:08:08 458.789538 15.9253 BFGS: 275 16:08:08 456.620791 15.8407 BFGS: 276 16:08:08 454.462025 15.7564 BFGS: 277 16:08:08 452.313191 15.6724 BFGS: 278 16:08:08 450.174245 15.5886 BFGS: 279 16:08:08 448.045146 15.5050 BFGS: 280 16:08:08 445.925853 15.4218 BFGS: 281 16:08:08 443.816328 15.3387 BFGS: 282 16:08:08 441.716534 15.2560 BFGS: 283 16:08:08 439.626425 15.1740 BFGS: 284 16:08:08 437.545922 15.0933 BFGS: 285 16:08:08 435.475055 15.0128 BFGS: 286 16:08:08 433.413796 14.9326 BFGS: 287 16:08:08 431.362071 14.8529 BFGS: 288 16:08:08 429.319092 14.7735 BFGS: 289 16:08:08 427.284570 14.6944 BFGS: 290 16:08:08 425.258460 14.6156 BFGS: 291 16:08:08 423.240715 14.5370 BFGS: 292 16:08:08 421.231289 14.4587 BFGS: 293 16:08:08 419.230132 14.3806 BFGS: 294 16:08:08 417.237196 14.3027 BFGS: 295 16:08:08 415.252431 14.2251 BFGS: 296 16:08:08 413.275786 14.1477 BFGS: 297 16:08:08 411.307212 14.0706 BFGS: 298 16:08:08 409.346659 13.9937 BFGS: 299 16:08:08 407.394075 13.9171 BFGS: 300 16:08:08 405.449413 13.8407 BFGS: 301 16:08:08 403.512623 13.7646 BFGS: 302 16:08:08 401.583655 13.6886 BFGS: 303 16:08:08 399.662463 13.6130 BFGS: 304 16:08:08 397.748999 13.5375 BFGS: 305 16:08:08 395.843216 13.4623 BFGS: 306 16:08:08 393.945069 13.3874 BFGS: 307 16:08:08 392.054513 13.3126 BFGS: 308 16:08:08 390.171506 13.2381 BFGS: 309 16:08:08 388.296005 13.1639 BFGS: 310 16:08:08 386.427969 13.0898 BFGS: 311 16:08:08 384.567358 13.0160 BFGS: 312 16:08:08 382.714135 12.9425 BFGS: 313 16:08:08 380.868262 12.8692 BFGS: 314 16:08:08 379.029705 12.7960 BFGS: 315 16:08:08 377.198430 12.7232 BFGS: 316 16:08:08 375.374349 12.6513 BFGS: 317 16:08:08 373.557393 12.5796 BFGS: 318 16:08:08 371.747551 12.5081 BFGS: 319 16:08:08 369.944813 12.4368 BFGS: 320 16:08:08 368.149170 12.3658 BFGS: 321 16:08:08 366.360614 12.2949 BFGS: 322 16:08:08 364.579136 12.2243 BFGS: 323 16:08:09 362.804730 12.1539 BFGS: 324 16:08:09 361.037389 12.0837 BFGS: 325 16:08:09 359.277111 12.0137 BFGS: 326 16:08:09 357.523890 11.9439 BFGS: 327 16:08:09 355.777725 11.8743 BFGS: 328 16:08:09 354.038617 11.8063 BFGS: 329 16:08:09 352.306564 11.7426 BFGS: 330 16:08:09 350.581571 11.6791 BFGS: 331 16:08:09 348.863641 11.6157 BFGS: 332 16:08:09 347.152779 11.5525 BFGS: 333 16:08:09 345.448992 11.4895 BFGS: 334 16:08:09 343.752280 11.4271 BFGS: 335 16:08:09 342.062601 11.3653 BFGS: 336 16:08:09 340.379966 11.3036 BFGS: 337 16:08:09 338.704393 11.2424 BFGS: 338 16:08:09 337.035864 11.1820 BFGS: 339 16:08:09 335.374403 11.1217 BFGS: 340 16:08:09 333.720032 11.0615 BFGS: 341 16:08:09 332.072770 11.0014 BFGS: 342 16:08:09 330.432640 10.9415 BFGS: 343 16:08:09 328.799667 10.8817 BFGS: 344 16:08:09 327.173869 10.8223 BFGS: 345 16:08:09 325.555218 10.7631 BFGS: 346 16:08:09 323.943735 10.7040 BFGS: 347 16:08:09 322.339447 10.6450 BFGS: 348 16:08:09 320.742381 10.5861 BFGS: 349 16:08:09 319.152568 10.5273 BFGS: 350 16:08:09 317.570037 10.4687 BFGS: 351 16:08:09 315.994818 10.4101 BFGS: 352 16:08:09 314.426943 10.3516 BFGS: 353 16:08:09 312.866442 10.2934 BFGS: 354 16:08:09 311.313289 10.2363 BFGS: 355 16:08:09 309.767501 10.1792 BFGS: 356 16:08:09 308.229102 10.1223 BFGS: 357 16:08:09 306.698120 10.0654 BFGS: 358 16:08:09 305.174579 10.0087 BFGS: 359 16:08:09 303.658508 9.9520 BFGS: 360 16:08:09 302.149932 9.8955 BFGS: 361 16:08:09 300.648879 9.8391 BFGS: 362 16:08:09 299.155374 9.7827 BFGS: 363 16:08:09 297.669446 9.7265 BFGS: 364 16:08:09 296.191119 9.6704 BFGS: 365 16:08:09 294.720420 9.6144 BFGS: 366 16:08:09 293.257373 9.5585 BFGS: 367 16:08:09 291.802003 9.5027 BFGS: 368 16:08:10 290.354333 9.4471 BFGS: 369 16:08:10 288.914386 9.3915 BFGS: 370 16:08:10 287.482185 9.3360 BFGS: 371 16:08:10 286.057824 9.2807 BFGS: 372 16:08:10 284.642623 9.2295 BFGS: 373 16:08:10 283.236015 9.1813 BFGS: 374 16:08:10 281.838192 9.1333 BFGS: 375 16:08:10 280.449114 9.0855 BFGS: 376 16:08:10 279.068744 9.0378 BFGS: 377 16:08:10 277.697041 8.9903 BFGS: 378 16:08:10 276.333966 8.9430 BFGS: 379 16:08:10 274.979479 8.8958 BFGS: 380 16:08:10 273.633539 8.8488 BFGS: 381 16:08:10 272.296107 8.8019 BFGS: 382 16:08:10 270.967140 8.7552 BFGS: 383 16:08:10 269.646599 8.7087 BFGS: 384 16:08:10 268.334441 8.6624 BFGS: 385 16:08:10 267.030624 8.6162 BFGS: 386 16:08:10 265.735103 8.5702 BFGS: 387 16:08:10 264.447769 8.5246 BFGS: 388 16:08:10 263.168499 8.4792 BFGS: 389 16:08:10 261.897246 8.4339 BFGS: 390 16:08:10 260.633964 8.3888 BFGS: 391 16:08:10 259.378604 8.3438 BFGS: 392 16:08:10 258.131119 8.2990 BFGS: 393 16:08:10 256.891461 8.2544 BFGS: 394 16:08:10 255.659581 8.2099 BFGS: 395 16:08:10 254.435430 8.1656 BFGS: 396 16:08:10 253.218959 8.1214 BFGS: 397 16:08:10 252.010119 8.0774 BFGS: 398 16:08:10 250.808861 8.0336 BFGS: 399 16:08:10 249.615131 7.9901 BFGS: 400 16:08:10 248.428762 7.9469 BFGS: 401 16:08:10 247.249526 7.9040 BFGS: 402 16:08:10 246.077377 7.8612 BFGS: 403 16:08:10 244.912267 7.8185 BFGS: 404 16:08:10 243.754148 7.7760 BFGS: 405 16:08:10 242.602973 7.7337 BFGS: 406 16:08:10 241.458694 7.6915 BFGS: 407 16:08:10 240.321253 7.6499 BFGS: 408 16:08:10 239.190572 7.6089 BFGS: 409 16:08:10 238.066627 7.5680 BFGS: 410 16:08:10 236.949370 7.5274 BFGS: 411 16:08:10 235.838720 7.4876 BFGS: 412 16:08:10 234.734652 7.4481 BFGS: 413 16:08:10 233.637129 7.4087 BFGS: 414 16:08:10 232.546042 7.3699 BFGS: 415 16:08:10 231.461083 7.3313 BFGS: 416 16:08:10 230.382169 7.2928 BFGS: 417 16:08:10 229.309253 7.2545 BFGS: 418 16:08:10 228.242285 7.2164 BFGS: 419 16:08:10 227.181203 7.1785 BFGS: 420 16:08:10 226.125687 7.1418 BFGS: 421 16:08:10 225.075458 7.1055 BFGS: 422 16:08:10 224.030486 7.0693 BFGS: 423 16:08:10 222.990745 7.0332 BFGS: 424 16:08:10 221.956206 6.9973 BFGS: 425 16:08:10 220.926841 6.9616 BFGS: 426 16:08:10 219.902623 6.9259 BFGS: 427 16:08:10 218.883526 6.8904 BFGS: 428 16:08:10 217.869522 6.8551 BFGS: 429 16:08:10 216.860585 6.8198 BFGS: 430 16:08:10 215.856690 6.7847 BFGS: 431 16:08:10 214.857812 6.7498 BFGS: 432 16:08:10 213.863924 6.7149 BFGS: 433 16:08:10 212.875003 6.6802 BFGS: 434 16:08:10 211.891023 6.6456 BFGS: 435 16:08:10 210.911962 6.6112 BFGS: 436 16:08:11 209.937796 6.5769 BFGS: 437 16:08:11 208.968500 6.5427 BFGS: 438 16:08:11 208.004053 6.5087 BFGS: 439 16:08:11 207.044431 6.4747 BFGS: 440 16:08:11 206.089613 6.4409 BFGS: 441 16:08:11 205.139576 6.4073 BFGS: 442 16:08:11 204.194300 6.3737 BFGS: 443 16:08:11 203.253761 6.3403 BFGS: 444 16:08:11 202.317941 6.3070 BFGS: 445 16:08:11 201.386817 6.2738 BFGS: 446 16:08:11 200.460370 6.2408 BFGS: 447 16:08:11 199.538580 6.2078 BFGS: 448 16:08:11 198.621427 6.1750 BFGS: 449 16:08:11 197.708891 6.1423 BFGS: 450 16:08:11 196.800954 6.1097 BFGS: 451 16:08:11 195.897596 6.0773 BFGS: 452 16:08:11 194.998799 6.0449 BFGS: 453 16:08:11 194.104545 6.0127 BFGS: 454 16:08:11 193.214816 5.9806 BFGS: 455 16:08:11 192.329593 5.9486 BFGS: 456 16:08:11 191.448861 5.9167 BFGS: 457 16:08:11 190.572600 5.8850 BFGS: 458 16:08:11 189.700795 5.8533 BFGS: 459 16:08:11 188.833426 5.8220 BFGS: 460 16:08:11 187.970399 5.7915 BFGS: 461 16:08:11 187.111659 5.7613 BFGS: 462 16:08:11 186.257040 5.7329 BFGS: 463 16:08:11 185.406430 5.7048 BFGS: 464 16:08:11 184.559724 5.6777 BFGS: 465 16:08:11 183.716870 5.6506 BFGS: 466 16:08:11 182.877850 5.6236 BFGS: 467 16:08:11 182.042649 5.5967 BFGS: 468 16:08:11 181.211251 5.5699 BFGS: 469 16:08:11 180.383640 5.5431 BFGS: 470 16:08:11 179.559803 5.5165 BFGS: 471 16:08:11 178.740021 5.4899 BFGS: 472 16:08:11 177.924324 5.4635 BFGS: 473 16:08:11 177.112693 5.4371 BFGS: 474 16:08:11 176.305110 5.4109 BFGS: 475 16:08:11 175.501556 5.3847 BFGS: 476 16:08:11 174.702013 5.3586 BFGS: 477 16:08:11 173.906464 5.3326 BFGS: 478 16:08:11 173.114892 5.3067 BFGS: 479 16:08:11 172.327278 5.2810 BFGS: 480 16:08:11 171.543586 5.2556 BFGS: 481 16:08:11 170.763791 5.2307 BFGS: 482 16:08:11 169.987963 5.2058 BFGS: 483 16:08:11 169.216081 5.1815 BFGS: 484 16:08:11 168.447973 5.1584 BFGS: 485 16:08:11 167.683453 5.1353 BFGS: 486 16:08:11 166.922507 5.1124 BFGS: 487 16:08:11 166.165119 5.0895 BFGS: 488 16:08:11 165.411273 5.0668 BFGS: 489 16:08:11 164.660955 5.0440 BFGS: 490 16:08:11 163.914148 5.0214 BFGS: 491 16:08:11 163.170838 4.9989 BFGS: 492 16:08:11 162.431010 4.9764 BFGS: 493 16:08:11 161.694649 4.9540 BFGS: 494 16:08:11 160.961739 4.9317 BFGS: 495 16:08:11 160.232267 4.9095 BFGS: 496 16:08:11 159.506217 4.8874 BFGS: 497 16:08:11 158.783576 4.8653 BFGS: 498 16:08:11 158.064329 4.8433 BFGS: 499 16:08:11 157.348461 4.8214 BFGS: 500 16:08:11 156.635959 4.7996 BFGS: 501 16:08:11 155.926809 4.7778 BFGS: 502 16:08:11 155.220996 4.7561 BFGS: 503 16:08:11 154.518506 4.7345 BFGS: 504 16:08:11 153.819327 4.7130 BFGS: 505 16:08:11 153.123445 4.6915 BFGS: 506 16:08:11 152.430845 4.6702 BFGS: 507 16:08:11 151.741515 4.6488 BFGS: 508 16:08:11 151.055442 4.6276 BFGS: 509 16:08:11 150.372612 4.6065 BFGS: 510 16:08:11 149.693012 4.5854 BFGS: 511 16:08:11 149.016629 4.5643 BFGS: 512 16:08:11 148.343452 4.5434 BFGS: 513 16:08:11 147.673466 4.5225 BFGS: 514 16:08:11 147.006659 4.5017 BFGS: 515 16:08:11 146.343019 4.4810 BFGS: 516 16:08:11 145.682534 4.4603 BFGS: 517 16:08:11 145.025191 4.4397 BFGS: 518 16:08:11 144.370978 4.4192 BFGS: 519 16:08:11 143.719883 4.3988 BFGS: 520 16:08:11 143.071894 4.3784 BFGS: 521 16:08:11 142.427000 4.3580 BFGS: 522 16:08:11 141.785187 4.3378 BFGS: 523 16:08:11 141.146446 4.3176 BFGS: 524 16:08:12 140.510764 4.2975 BFGS: 525 16:08:12 139.878130 4.2775 BFGS: 526 16:08:12 139.248526 4.2577 BFGS: 527 16:08:12 138.621883 4.2383 BFGS: 528 16:08:12 137.998162 4.2188 BFGS: 529 16:08:12 137.377352 4.1995 BFGS: 530 16:08:12 136.759443 4.1802 BFGS: 531 16:08:12 136.144408 4.1614 BFGS: 532 16:08:12 135.532152 4.1427 BFGS: 533 16:08:12 134.922652 4.1241 BFGS: 534 16:08:12 134.315897 4.1056 BFGS: 535 16:08:12 133.711880 4.0871 BFGS: 536 16:08:12 133.110590 4.0687 BFGS: 537 16:08:12 132.512019 4.0503 BFGS: 538 16:08:12 131.916156 4.0320 BFGS: 539 16:08:12 131.322994 4.0137 BFGS: 540 16:08:12 130.732522 3.9955 BFGS: 541 16:08:12 130.144731 3.9774 BFGS: 542 16:08:12 129.559612 3.9593 BFGS: 543 16:08:12 128.977155 3.9412 BFGS: 544 16:08:12 128.397352 3.9233 BFGS: 545 16:08:12 127.820193 3.9053 BFGS: 546 16:08:12 127.245666 3.8877 BFGS: 547 16:08:12 126.673659 3.8712 BFGS: 548 16:08:12 126.104032 3.8547 BFGS: 549 16:08:12 125.536768 3.8383 BFGS: 550 16:08:12 124.971838 3.8225 BFGS: 551 16:08:12 124.409062 3.8075 BFGS: 552 16:08:12 123.848340 3.7926 BFGS: 553 16:08:12 123.289668 3.7776 BFGS: 554 16:08:12 122.733045 3.7627 BFGS: 555 16:08:12 122.178467 3.7479 BFGS: 556 16:08:12 121.625931 3.7331 BFGS: 557 16:08:12 121.075379 3.7188 BFGS: 558 16:08:12 120.526918 3.7045 BFGS: 559 16:08:12 119.980537 3.6902 BFGS: 560 16:08:12 119.436222 3.6761 BFGS: 561 16:08:12 118.893906 3.6623 BFGS: 562 16:08:12 118.353603 3.6486 BFGS: 563 16:08:12 117.815309 3.6349 BFGS: 564 16:08:12 117.279021 3.6212 BFGS: 565 16:08:12 116.744734 3.6076 BFGS: 566 16:08:12 116.212442 3.5941 BFGS: 567 16:08:12 115.682142 3.5805 BFGS: 568 16:08:12 115.153827 3.5671 BFGS: 569 16:08:12 114.627494 3.5536 BFGS: 570 16:08:12 114.103137 3.5402 BFGS: 571 16:08:12 113.580750 3.5268 BFGS: 572 16:08:12 113.060330 3.5135 BFGS: 573 16:08:12 112.541870 3.5002 BFGS: 574 16:08:12 112.025365 3.4869 BFGS: 575 16:08:12 111.510810 3.4737 BFGS: 576 16:08:12 110.998200 3.4605 BFGS: 577 16:08:12 110.487530 3.4474 BFGS: 578 16:08:12 109.978793 3.4343 BFGS: 579 16:08:12 109.471985 3.4212 BFGS: 580 16:08:12 108.967100 3.4082 BFGS: 581 16:08:12 108.464133 3.3952 BFGS: 582 16:08:12 107.963078 3.3822 BFGS: 583 16:08:12 107.463931 3.3693 BFGS: 584 16:08:12 106.966685 3.3564 BFGS: 585 16:08:12 106.471336 3.3435 BFGS: 586 16:08:12 105.977877 3.3307 BFGS: 587 16:08:12 105.486305 3.3179 BFGS: 588 16:08:12 104.996612 3.3052 BFGS: 589 16:08:12 104.508795 3.2925 BFGS: 590 16:08:12 104.022847 3.2798 BFGS: 591 16:08:12 103.538764 3.2672 BFGS: 592 16:08:12 103.056540 3.2546 BFGS: 593 16:08:12 102.576170 3.2420 BFGS: 594 16:08:12 102.097648 3.2295 BFGS: 595 16:08:12 101.620970 3.2170 BFGS: 596 16:08:12 101.146130 3.2045 BFGS: 597 16:08:12 100.673123 3.1921 BFGS: 598 16:08:12 100.201944 3.1797 BFGS: 599 16:08:12 99.732587 3.1674 BFGS: 600 16:08:12 99.265048 3.1551 BFGS: 601 16:08:12 98.799321 3.1428 BFGS: 602 16:08:12 98.335401 3.1305 BFGS: 603 16:08:12 97.873284 3.1183 BFGS: 604 16:08:12 97.412964 3.1061 BFGS: 605 16:08:12 96.954436 3.0940 BFGS: 606 16:08:12 96.497695 3.0819 BFGS: 607 16:08:12 96.042736 3.0698 BFGS: 608 16:08:12 95.589554 3.0577 BFGS: 609 16:08:12 95.138144 3.0457 BFGS: 610 16:08:12 94.688501 3.0337 BFGS: 611 16:08:12 94.240621 3.0218 BFGS: 612 16:08:12 93.794497 3.0099 BFGS: 613 16:08:12 93.350127 2.9980 BFGS: 614 16:08:12 92.907503 2.9861 BFGS: 615 16:08:12 92.466623 2.9743 BFGS: 616 16:08:12 92.027480 2.9625 BFGS: 617 16:08:12 91.590070 2.9508 BFGS: 618 16:08:12 91.154389 2.9391 BFGS: 619 16:08:12 90.720431 2.9274 BFGS: 620 16:08:12 90.288192 2.9157 BFGS: 621 16:08:12 89.857667 2.9041 BFGS: 622 16:08:12 89.428851 2.8925 BFGS: 623 16:08:12 89.001740 2.8810 BFGS: 624 16:08:12 88.576329 2.8694 BFGS: 625 16:08:12 88.152613 2.8579 BFGS: 626 16:08:12 87.730588 2.8465 BFGS: 627 16:08:12 87.310249 2.8350 BFGS: 628 16:08:12 86.891591 2.8236 BFGS: 629 16:08:12 86.474610 2.8123 BFGS: 630 16:08:12 86.059301 2.8009 BFGS: 631 16:08:12 85.645660 2.7896 BFGS: 632 16:08:12 85.233683 2.7783 BFGS: 633 16:08:12 84.823364 2.7671 BFGS: 634 16:08:12 84.414699 2.7559 BFGS: 635 16:08:12 84.007684 2.7447 BFGS: 636 16:08:12 83.602315 2.7335 BFGS: 637 16:08:12 83.198586 2.7224 BFGS: 638 16:08:13 82.796494 2.7113 BFGS: 639 16:08:13 82.396034 2.7002 BFGS: 640 16:08:13 81.997201 2.6892 BFGS: 641 16:08:13 81.599992 2.6782 BFGS: 642 16:08:13 81.204402 2.6672 BFGS: 643 16:08:13 80.810427 2.6562 BFGS: 644 16:08:13 80.418062 2.6453 BFGS: 645 16:08:13 80.027303 2.6344 BFGS: 646 16:08:13 79.638146 2.6236 BFGS: 647 16:08:13 79.250586 2.6127 BFGS: 648 16:08:13 78.864620 2.6019 BFGS: 649 16:08:13 78.480243 2.5912 BFGS: 650 16:08:13 78.097451 2.5804 BFGS: 651 16:08:13 77.716239 2.5697 BFGS: 652 16:08:13 77.336604 2.5590 BFGS: 653 16:08:13 76.958542 2.5484 BFGS: 654 16:08:13 76.582048 2.5377 BFGS: 655 16:08:13 76.207118 2.5271 BFGS: 656 16:08:13 75.833748 2.5166 BFGS: 657 16:08:13 75.461934 2.5060 BFGS: 658 16:08:13 75.091671 2.4955 BFGS: 659 16:08:13 74.722903 2.4852 BFGS: 660 16:08:13 74.355654 2.4750 BFGS: 661 16:08:13 73.989917 2.4648 BFGS: 662 16:08:13 73.625689 2.4546 BFGS: 663 16:08:13 73.262962 2.4444 BFGS: 664 16:08:13 72.901731 2.4343 BFGS: 665 16:08:13 72.541992 2.4242 BFGS: 666 16:08:13 72.183737 2.4142 BFGS: 667 16:08:13 71.826952 2.4046 BFGS: 668 16:08:13 71.471505 2.3957 BFGS: 669 16:08:13 71.117316 2.3868 BFGS: 670 16:08:13 70.764377 2.3779 BFGS: 671 16:08:13 70.412680 2.3691 BFGS: 672 16:08:13 70.062218 2.3603 BFGS: 673 16:08:13 69.712983 2.3516 BFGS: 674 16:08:13 69.364966 2.3429 BFGS: 675 16:08:13 69.018161 2.3342 BFGS: 676 16:08:13 68.672559 2.3255 BFGS: 677 16:08:13 68.328155 2.3169 BFGS: 678 16:08:13 67.984940 2.3083 BFGS: 679 16:08:13 67.642908 2.2998 BFGS: 680 16:08:13 67.302051 2.2913 BFGS: 681 16:08:13 66.962364 2.2828 BFGS: 682 16:08:13 66.623839 2.2744 BFGS: 683 16:08:13 66.286470 2.2660 BFGS: 684 16:08:13 65.950251 2.2576 BFGS: 685 16:08:13 65.615175 2.2493 BFGS: 686 16:08:13 65.281237 2.2410 BFGS: 687 16:08:13 64.948430 2.2327 BFGS: 688 16:08:13 64.616748 2.2244 BFGS: 689 16:08:13 64.286186 2.2162 BFGS: 690 16:08:13 63.956739 2.2080 BFGS: 691 16:08:13 63.628401 2.1999 BFGS: 692 16:08:13 63.301166 2.1918 BFGS: 693 16:08:13 62.975029 2.1837 BFGS: 694 16:08:13 62.649985 2.1756 BFGS: 695 16:08:13 62.326030 2.1676 BFGS: 696 16:08:13 62.003158 2.1596 BFGS: 697 16:08:13 61.681364 2.1517 BFGS: 698 16:08:13 61.360645 2.1437 BFGS: 699 16:08:13 61.040995 2.1358 BFGS: 700 16:08:13 60.722410 2.1279 BFGS: 701 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1.7246 BFGS: 757 16:08:13 44.225383 1.7180 BFGS: 758 16:08:13 43.964017 1.7114 BFGS: 759 16:08:13 43.703595 1.7047 BFGS: 760 16:08:13 43.444118 1.6981 BFGS: 761 16:08:13 43.185584 1.6915 BFGS: 762 16:08:13 42.927993 1.6850 BFGS: 763 16:08:13 42.671345 1.6784 BFGS: 764 16:08:13 42.415639 1.6719 BFGS: 765 16:08:13 42.160874 1.6653 BFGS: 766 16:08:13 41.907050 1.6588 BFGS: 767 16:08:13 41.654167 1.6523 BFGS: 768 16:08:13 41.402223 1.6458 BFGS: 769 16:08:13 41.151219 1.6393 BFGS: 770 16:08:13 40.901154 1.6329 BFGS: 771 16:08:13 40.652028 1.6264 BFGS: 772 16:08:13 40.403840 1.6200 BFGS: 773 16:08:13 40.156590 1.6136 BFGS: 774 16:08:13 39.910278 1.6072 BFGS: 775 16:08:13 39.664902 1.6008 BFGS: 776 16:08:13 39.420464 1.5944 BFGS: 777 16:08:13 39.176961 1.5880 BFGS: 778 16:08:13 38.934395 1.5817 BFGS: 779 16:08:13 38.692764 1.5753 BFGS: 780 16:08:13 38.452069 1.5690 BFGS: 781 16:08:14 38.212309 1.5627 BFGS: 782 16:08:14 37.973483 1.5564 BFGS: 783 16:08:14 37.735591 1.5501 BFGS: 784 16:08:14 37.498634 1.5438 BFGS: 785 16:08:14 37.262610 1.5375 BFGS: 786 16:08:14 37.027519 1.5313 BFGS: 787 16:08:14 36.793362 1.5251 BFGS: 788 16:08:14 36.560137 1.5188 BFGS: 789 16:08:14 36.327844 1.5126 BFGS: 790 16:08:14 36.096484 1.5064 BFGS: 791 16:08:14 35.866055 1.5002 BFGS: 792 16:08:14 35.636558 1.4940 BFGS: 793 16:08:14 35.407992 1.4879 BFGS: 794 16:08:14 35.180356 1.4817 BFGS: 795 16:08:14 34.953652 1.4755 BFGS: 796 16:08:14 34.727877 1.4694 BFGS: 797 16:08:14 34.503032 1.4633 BFGS: 798 16:08:14 34.279117 1.4572 BFGS: 799 16:08:14 34.056130 1.4511 BFGS: 800 16:08:14 33.834073 1.4450 BFGS: 801 16:08:14 33.612944 1.4389 BFGS: 802 16:08:14 33.392743 1.4328 BFGS: 803 16:08:14 33.173470 1.4268 BFGS: 804 16:08:14 32.955124 1.4207 BFGS: 805 16:08:14 32.737706 1.4147 BFGS: 806 16:08:14 32.521214 1.4087 BFGS: 807 16:08:14 32.305648 1.4026 BFGS: 808 16:08:14 32.091008 1.3966 BFGS: 809 16:08:14 31.877294 1.3907 BFGS: 810 16:08:14 31.664505 1.3847 BFGS: 811 16:08:14 31.452640 1.3787 BFGS: 812 16:08:14 31.241700 1.3727 BFGS: 813 16:08:14 31.031684 1.3668 BFGS: 814 16:08:14 30.822591 1.3608 BFGS: 815 16:08:14 30.614420 1.3549 BFGS: 816 16:08:14 30.407173 1.3490 BFGS: 817 16:08:14 30.200847 1.3431 BFGS: 818 16:08:14 29.995442 1.3372 BFGS: 819 16:08:14 29.790959 1.3313 BFGS: 820 16:08:14 29.587396 1.3254 BFGS: 821 16:08:14 29.384753 1.3195 BFGS: 822 16:08:14 29.183029 1.3137 BFGS: 823 16:08:14 28.982224 1.3078 BFGS: 824 16:08:14 28.782337 1.3020 BFGS: 825 16:08:14 28.583368 1.2962 BFGS: 826 16:08:14 28.385316 1.2903 BFGS: 827 16:08:14 28.188180 1.2845 BFGS: 828 16:08:14 27.991960 1.2787 BFGS: 829 16:08:14 27.796655 1.2729 BFGS: 830 16:08:14 27.602264 1.2672 BFGS: 831 16:08:14 27.408788 1.2614 BFGS: 832 16:08:14 27.216224 1.2556 BFGS: 833 16:08:14 27.024573 1.2499 BFGS: 834 16:08:14 26.833833 1.2441 BFGS: 835 16:08:14 26.644004 1.2384 BFGS: 836 16:08:14 26.455086 1.2327 BFGS: 837 16:08:14 26.267076 1.2270 BFGS: 838 16:08:14 26.079975 1.2213 BFGS: 839 16:08:14 25.893782 1.2156 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1.0600 BFGS: 868 16:08:14 20.884515 1.0546 BFGS: 869 16:08:14 20.725060 1.0491 BFGS: 870 16:08:14 20.566475 1.0437 BFGS: 871 16:08:14 20.408760 1.0383 BFGS: 872 16:08:14 20.251914 1.0330 BFGS: 873 16:08:14 20.095933 1.0276 BFGS: 874 16:08:14 19.940817 1.0222 BFGS: 875 16:08:14 19.786565 1.0169 BFGS: 876 16:08:14 19.633174 1.0115 BFGS: 877 16:08:14 19.480643 1.0062 BFGS: 878 16:08:14 19.328970 1.0009 BFGS: 879 16:08:14 19.178153 0.9955 BFGS: 880 16:08:14 19.028190 0.9902 BFGS: 881 16:08:14 18.879081 0.9849 BFGS: 882 16:08:14 18.730823 0.9796 BFGS: 883 16:08:14 18.583414 0.9744 BFGS: 884 16:08:14 18.436852 0.9691 BFGS: 885 16:08:14 18.291135 0.9638 BFGS: 886 16:08:14 18.146263 0.9586 BFGS: 887 16:08:14 18.002232 0.9533 BFGS: 888 16:08:14 17.859041 0.9481 BFGS: 889 16:08:14 17.716687 0.9429 BFGS: 890 16:08:14 17.575170 0.9377 BFGS: 891 16:08:14 17.434486 0.9325 BFGS: 892 16:08:14 17.294635 0.9273 BFGS: 893 16:08:14 17.155613 0.9221 BFGS: 894 16:08:14 17.017419 0.9169 BFGS: 895 16:08:14 16.880051 0.9117 BFGS: 896 16:08:14 16.743507 0.9066 BFGS: 897 16:08:14 16.607785 0.9014 BFGS: 898 16:08:14 16.472882 0.8963 BFGS: 899 16:08:14 16.338796 0.8912 BFGS: 900 16:08:14 16.205526 0.8860 BFGS: 901 16:08:14 16.073069 0.8809 BFGS: 902 16:08:14 15.941422 0.8758 BFGS: 903 16:08:14 15.810585 0.8707 BFGS: 904 16:08:14 15.680555 0.8656 BFGS: 905 16:08:14 15.551328 0.8606 BFGS: 906 16:08:14 15.422904 0.8555 BFGS: 907 16:08:14 15.295280 0.8505 BFGS: 908 16:08:14 15.168454 0.8454 BFGS: 909 16:08:14 15.042424 0.8404 BFGS: 910 16:08:14 14.917186 0.8354 BFGS: 911 16:08:14 14.792740 0.8303 BFGS: 912 16:08:14 14.669082 0.8253 BFGS: 913 16:08:14 14.546211 0.8203 BFGS: 914 16:08:14 14.424124 0.8153 BFGS: 915 16:08:14 14.302819 0.8104 BFGS: 916 16:08:14 14.182293 0.8054 BFGS: 917 16:08:14 14.062545 0.8004 BFGS: 918 16:08:14 13.943572 0.7955 BFGS: 919 16:08:14 13.825371 0.7906 BFGS: 920 16:08:14 13.707940 0.7856 BFGS: 921 16:08:14 13.591278 0.7807 BFGS: 922 16:08:14 13.475381 0.7758 BFGS: 923 16:08:14 13.360248 0.7709 BFGS: 924 16:08:14 13.245875 0.7660 BFGS: 925 16:08:14 13.132261 0.7611 BFGS: 926 16:08:14 13.019404 0.7563 BFGS: 927 16:08:14 12.907300 0.7514 BFGS: 928 16:08:14 12.795948 0.7465 BFGS: 929 16:08:14 12.685345 0.7417 BFGS: 930 16:08:14 12.575489 0.7369 BFGS: 931 16:08:14 12.466378 0.7320 BFGS: 932 16:08:14 12.358009 0.7272 BFGS: 933 16:08:14 12.250380 0.7224 BFGS: 934 16:08:14 12.143488 0.7176 BFGS: 935 16:08:14 12.037332 0.7128 BFGS: 936 16:08:14 11.931909 0.7081 BFGS: 937 16:08:15 11.827216 0.7033 BFGS: 938 16:08:15 11.723252 0.6985 BFGS: 939 16:08:15 11.620014 0.6938 BFGS: 940 16:08:15 11.517499 0.6891 BFGS: 941 16:08:15 11.415706 0.6843 BFGS: 942 16:08:15 11.314633 0.6796 BFGS: 943 16:08:15 11.214276 0.6749 BFGS: 944 16:08:15 11.114633 0.6702 BFGS: 945 16:08:15 11.015703 0.6655 BFGS: 946 16:08:15 10.917483 0.6608 BFGS: 947 16:08:15 10.819971 0.6562 BFGS: 948 16:08:15 10.723164 0.6515 BFGS: 949 16:08:15 10.627061 0.6469 BFGS: 950 16:08:15 10.531659 0.6422 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16:08:15 8.059156 0.5150 BFGS: 980 16:08:15 7.983287 0.5113 BFGS: 981 16:08:15 7.907965 0.5076 BFGS: 982 16:08:15 7.833187 0.5039 BFGS: 983 16:08:15 7.758951 0.5002 BFGS: 984 16:08:15 7.685253 0.4965 BFGS: 985 16:08:15 7.612090 0.4928 BFGS: 986 16:08:15 7.539461 0.4892 BFGS: 987 16:08:15 7.467363 0.4855 BFGS: 988 16:08:15 7.395791 0.4819 BFGS: 989 16:08:15 7.324710 0.4787 BFGS: 990 16:08:15 7.254086 0.4757 BFGS: 991 16:08:15 7.183866 0.4729 BFGS: 992 16:08:15 7.114039 0.4701 BFGS: 993 16:08:15 7.044602 0.4674 BFGS: 994 16:08:15 6.975553 0.4646 BFGS: 995 16:08:15 6.906890 0.4618 BFGS: 996 16:08:15 6.838610 0.4591 BFGS: 997 16:08:15 6.770711 0.4564 BFGS: 998 16:08:15 6.703191 0.4536 BFGS: 999 16:08:15 6.636048 0.4509 BFGS: 1000 16:08:15 6.569280 0.4482 BFGS: 1001 16:08:15 6.502885 0.4455 BFGS: 1002 16:08:15 6.436860 0.4428 BFGS: 1003 16:08:15 6.371205 0.4401 BFGS: 1004 16:08:15 6.305916 0.4375 BFGS: 1005 16:08:15 6.240993 0.4348 BFGS: 1006 16:08:15 6.176433 0.4321 BFGS: 1007 16:08:15 6.112234 0.4295 BFGS: 1008 16:08:15 6.048395 0.4268 BFGS: 1009 16:08:15 5.984914 0.4242 BFGS: 1010 16:08:15 5.921789 0.4216 BFGS: 1011 16:08:15 5.859019 0.4189 BFGS: 1012 16:08:15 5.796602 0.4163 BFGS: 1013 16:08:15 5.734537 0.4137 BFGS: 1014 16:08:15 5.672822 0.4111 BFGS: 1015 16:08:15 5.611456 0.4085 BFGS: 1016 16:08:15 5.550437 0.4059 BFGS: 1017 16:08:15 5.489763 0.4034 BFGS: 1018 16:08:15 5.429435 0.4008 BFGS: 1019 16:08:15 5.369449 0.3982 BFGS: 1020 16:08:15 5.309806 0.3956 BFGS: 1021 16:08:15 5.250503 0.3931 BFGS: 1022 16:08:15 5.191540 0.3905 BFGS: 1023 16:08:15 5.132915 0.3880 BFGS: 1024 16:08:15 5.074628 0.3855 BFGS: 1025 16:08:15 5.016678 0.3829 BFGS: 1026 16:08:15 4.959063 0.3804 BFGS: 1027 16:08:15 4.901782 0.3779 BFGS: 1028 16:08:15 4.844835 0.3754 BFGS: 1029 16:08:15 4.788221 0.3729 BFGS: 1030 16:08:15 4.731938 0.3704 BFGS: 1031 16:08:15 4.675987 0.3679 BFGS: 1032 16:08:15 4.620367 0.3654 BFGS: 1033 16:08:15 4.565076 0.3629 BFGS: 1034 16:08:15 4.510114 0.3604 BFGS: 1035 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1.069154 0.1737 BFGS: 1119 16:08:16 1.042641 0.1716 BFGS: 1120 16:08:16 1.016479 0.1695 BFGS: 1121 16:08:16 0.990669 0.1675 BFGS: 1122 16:08:16 0.965210 0.1654 BFGS: 1123 16:08:16 0.940104 0.1633 BFGS: 1124 16:08:16 0.915349 0.1612 BFGS: 1125 16:08:16 0.890945 0.1591 BFGS: 1126 16:08:16 0.866893 0.1570 BFGS: 1127 16:08:16 0.843193 0.1550 BFGS: 1128 16:08:16 0.819845 0.1529 BFGS: 1129 16:08:16 0.796848 0.1508 BFGS: 1130 16:08:16 0.774202 0.1488 BFGS: 1131 16:08:16 0.751907 0.1467 BFGS: 1132 16:08:16 0.729963 0.1446 BFGS: 1133 16:08:16 0.708370 0.1425 BFGS: 1134 16:08:16 0.687127 0.1405 BFGS: 1135 16:08:16 0.666234 0.1384 BFGS: 1136 16:08:16 0.645692 0.1363 BFGS: 1137 16:08:16 0.625498 0.1343 BFGS: 1138 16:08:16 0.605654 0.1322 BFGS: 1139 16:08:16 0.586158 0.1302 BFGS: 1140 16:08:16 0.567011 0.1281 BFGS: 1141 16:08:16 0.548211 0.1260 BFGS: 1142 16:08:16 0.529759 0.1240 BFGS: 1143 16:08:16 0.511653 0.1219 BFGS: 1144 16:08:16 0.493894 0.1199 BFGS: 1145 16:08:16 0.476480 0.1178 BFGS: 1146 16:08:16 0.459411 0.1158 BFGS: 1147 16:08:16 0.442687 0.1137 BFGS: 1148 16:08:16 0.426306 0.1117 BFGS: 1149 16:08:16 0.410268 0.1096 BFGS: 1150 16:08:16 0.394572 0.1076 BFGS: 1151 16:08:16 0.379217 0.1055 BFGS: 1152 16:08:16 0.364203 0.1035 BFGS: 1153 16:08:16 0.349529 0.1014 BFGS: 1154 16:08:16 0.335193 0.0994 BFGS: 1155 16:08:16 0.321195 0.0974 BFGS: 1156 16:08:16 0.307535 0.0953 BFGS: 1157 16:08:16 0.294210 0.0933 BFGS: 1158 16:08:16 0.281220 0.0912 BFGS: 1159 16:08:16 0.268564 0.0892 BFGS: 1160 16:08:16 0.256241 0.0872 BFGS: 1161 16:08:16 0.244250 0.0851 BFGS: 1162 16:08:16 0.232589 0.0831 BFGS: 1163 16:08:16 0.221257 0.0811 BFGS: 1164 16:08:16 0.210254 0.0790 BFGS: 1165 16:08:16 0.199578 0.0770 BFGS: 1166 16:08:16 0.189228 0.0750 BFGS: 1167 16:08:16 0.179201 0.0730 BFGS: 1168 16:08:16 0.169498 0.0709 BFGS: 1169 16:08:16 0.160117 0.0689 BFGS: 1170 16:08:16 0.151055 0.0669 BFGS: 1171 16:08:16 0.142312 0.0649 BFGS: 1172 16:08:16 0.133887 0.0628 BFGS: 1173 16:08:16 0.125777 0.0608 BFGS: 1174 16:08:16 0.117981 0.0588 BFGS: 1175 16:08:16 0.110497 0.0568 BFGS: 1176 16:08:16 0.103324 0.0547 BFGS: 1177 16:08:16 0.096460 0.0527 BFGS: 1178 16:08:16 0.089903 0.0507 BFGS: 1179 16:08:16 0.083651 0.0487 BFGS: 1180 16:08:16 0.077702 0.0467 BFGS: 1181 16:08:16 0.072054 0.0447 BFGS: 1182 16:08:16 0.066684 0.0427 BFGS: 1183 16:08:16 0.061551 0.0407 BFGS: 1184 16:08:16 0.056652 0.0387 BFGS: 1185 16:08:16 0.051986 0.0367 BFGS: 1186 16:08:16 0.047553 0.0347 BFGS: 1187 16:08:16 0.043352 0.0337 BFGS: 1188 16:08:16 0.039381 0.0335 BFGS: 1189 16:08:16 0.035641 0.0334 BFGS: 1190 16:08:16 0.032130 0.0332 BFGS: 1191 16:08:16 0.028847 0.0330 BFGS: 1192 16:08:16 0.025791 0.0328 BFGS: 1193 16:08:16 0.022961 0.0325 BFGS: 1194 16:08:16 0.020356 0.0322 BFGS: 1195 16:08:16 0.017975 0.0319 BFGS: 1196 16:08:16 0.015815 0.0315 BFGS: 1197 16:08:16 0.013876 0.0310 BFGS: 1198 16:08:16 0.012156 0.0306 BFGS: 1199 16:08:16 0.010652 0.0300 BFGS: 1200 16:08:16 0.009360 0.0294 BFGS: 1201 16:08:16 0.008279 0.0287 BFGS: 1202 16:08:16 0.007381 0.0275 BFGS: 1203 16:08:16 0.006567 0.0260 BFGS: 1204 16:08:16 0.005800 0.0244 BFGS: 1205 16:08:16 0.005082 0.0227 BFGS: 1206 16:08:16 0.004411 0.0211 BFGS: 1207 16:08:16 0.003789 0.0195 BFGS: 1208 16:08:16 0.003215 0.0179 BFGS: 1209 16:08:16 0.002689 0.0163 BFGS: 1210 16:08:16 0.002211 0.0146 BFGS: 1211 16:08:16 0.001780 0.0130 BFGS: 1212 16:08:16 0.001397 0.0114 BFGS: 1213 16:08:16 0.001061 0.0098 BFGS: 1214 16:08:16 0.000772 0.0082 BFGS: 1215 16:08:16 0.000531 0.0066 BFGS: 1216 16:08:16 0.000335 0.0050 BFGS: 1217 16:08:16 0.000187 0.0034 BFGS: 1218 16:08:16 0.000084 0.0019 BFGS: 1219 16:08:16 0.000027 0.0006 BFGS: 1220 16:08:16 0.000009 0.0005 BFGS: 1221 16:08:16 0.000001 0.0003 BFGS: 1222 16:08:16 0.000000 0.0001 BFGS: 1223 16:08:16 0.000000 0.0000 BFGS: 1224 16:08:16 -0.000000 0.0000 Minimization converged after 1224 steps. Maximum force component: 5.435879750337331e-10 eV/Angstrom Maximum stress component: 8.729784439895168e-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 = [[0.00000000e+00 0.00000000e+00 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] [2.23640672e-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 2.23640672e-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([[32.84010164539122, -9.312514407756617e-10, 2.3137223102943197e-15], [-16.420050821889117, 28.440362288237562, -6.121828941768538e-15], [1.3928075093750659e-15, 1.2933584956061869e-14, 20.000825718235966]]) forces = [[-3.78541078e-26 -3.51512550e-25 -5.43587975e-10] [-3.78541078e-26 -3.51512550e-25 -5.43587975e-10] [-3.78541078e-26 -3.51512550e-25 -5.43587975e-10] [ 3.78541078e-26 3.51512550e-25 5.43587975e-10] [ 3.78541078e-26 3.51512550e-25 5.43587975e-10] [ 3.78541078e-26 3.51512550e-25 5.43587975e-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 = [-1.86926566e-43 -4.78026104e-43 -8.72978444e-13 -5.07860101e-28 -6.16300305e-29 -3.58536156e-44] energy per atom = -1.8503717077085943e-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.