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 09:36:00 2166.134314 100.215373 BFGS: 1 09:36:00 2151.122284 99.338670 BFGS: 2 09:36:00 2136.226145 98.472174 BFGS: 3 09:36:00 2121.501935 97.619840 BFGS: 4 09:36:00 2106.946422 96.781835 BFGS: 5 09:36:00 2092.550922 95.951330 BFGS: 6 09:36:01 2078.310107 95.128668 BFGS: 7 09:36:02 2064.217830 94.320907 BFGS: 8 09:36:02 2050.263151 93.522523 BFGS: 9 09:36:02 2036.444559 92.734139 BFGS: 10 09:36:03 2022.748902 91.955580 BFGS: 11 09:36:03 2009.165098 91.184043 BFGS: 12 09:36:03 1995.698139 90.418299 BFGS: 13 09:36:03 1982.357946 89.664195 BFGS: 14 09:36:03 1969.129970 88.916573 BFGS: 15 09:36:03 1956.010115 88.178955 BFGS: 16 09:36:03 1942.985175 87.446761 BFGS: 17 09:36:03 1930.052429 86.717844 BFGS: 18 09:36:03 1917.214198 85.992818 BFGS: 19 09:36:03 1904.478555 85.273150 BFGS: 20 09:36:04 1891.856033 84.559159 BFGS: 21 09:36:04 1879.355543 83.850328 BFGS: 22 09:36:04 1866.975895 83.147051 BFGS: 23 09:36:04 1854.717492 82.450423 BFGS: 24 09:36:04 1842.584677 81.759431 BFGS: 25 09:36:04 1830.598255 81.075355 BFGS: 26 09:36:04 1818.754275 80.397970 BFGS: 27 09:36:04 1807.048937 79.727058 BFGS: 28 09:36:04 1795.478671 79.062416 BFGS: 29 09:36:04 1784.040041 78.406344 BFGS: 30 09:36:04 1772.725059 77.774364 BFGS: 31 09:36:04 1761.491450 77.147466 BFGS: 32 09:36:04 1750.334730 76.523151 BFGS: 33 09:36:04 1739.255347 75.901445 BFGS: 34 09:36:04 1728.253671 75.282912 BFGS: 35 09:36:05 1717.330765 74.670654 BFGS: 36 09:36:05 1706.483502 74.061776 BFGS: 37 09:36:05 1695.710430 73.461888 BFGS: 38 09:36:05 1685.045436 72.871802 BFGS: 39 09:36:05 1674.485088 72.290385 BFGS: 40 09:36:05 1664.033567 71.721262 BFGS: 41 09:36:05 1653.682860 71.164103 BFGS: 42 09:36:05 1643.417214 70.611699 BFGS: 43 09:36:05 1633.232208 70.065770 BFGS: 44 09:36:05 1623.121115 69.523757 BFGS: 45 09:36:05 1613.081300 68.984828 BFGS: 46 09:36:05 1603.110868 68.454998 BFGS: 47 09:36:05 1593.197223 67.933285 BFGS: 48 09:36:05 1583.329320 67.413852 BFGS: 49 09:36:05 1573.505163 66.897022 BFGS: 50 09:36:05 1563.740319 66.382284 BFGS: 51 09:36:05 1554.038246 65.869733 BFGS: 52 09:36:05 1544.398747 65.359825 BFGS: 53 09:36:05 1534.820482 64.857738 BFGS: 54 09:36:05 1525.300258 64.358467 BFGS: 55 09:36:05 1515.839491 63.865212 BFGS: 56 09:36:05 1506.436437 63.377470 BFGS: 57 09:36:05 1497.089419 62.892919 BFGS: 58 09:36:06 1487.803234 62.411520 BFGS: 59 09:36:06 1478.582156 61.932458 BFGS: 60 09:36:06 1469.427271 61.455785 BFGS: 61 09:36:06 1460.342287 60.981908 BFGS: 62 09:36:06 1451.328525 60.511351 BFGS: 63 09:36:06 1442.388976 60.044655 BFGS: 64 09:36:06 1433.536659 59.584053 BFGS: 65 09:36:06 1424.770550 59.134805 BFGS: 66 09:36:06 1416.083914 58.690932 BFGS: 67 09:36:06 1407.481187 58.260735 BFGS: 68 09:36:06 1398.961326 57.844776 BFGS: 69 09:36:06 1390.521911 57.435514 BFGS: 70 09:36:06 1382.157536 57.032676 BFGS: 71 09:36:06 1373.863483 56.634109 BFGS: 72 09:36:07 1365.637265 56.239650 BFGS: 73 09:36:07 1357.476500 55.849004 BFGS: 74 09:36:07 1349.382273 55.461077 BFGS: 75 09:36:07 1341.353442 55.076373 BFGS: 76 09:36:07 1333.388799 54.703959 BFGS: 77 09:36:07 1325.488963 54.336252 BFGS: 78 09:36:07 1317.655882 53.970616 BFGS: 79 09:36:07 1309.888131 53.606940 BFGS: 80 09:36:07 1302.184287 53.245258 BFGS: 81 09:36:07 1294.542155 52.885860 BFGS: 82 09:36:07 1286.957862 52.530319 BFGS: 83 09:36:07 1279.428620 52.176257 BFGS: 84 09:36:07 1271.953519 51.825024 BFGS: 85 09:36:07 1264.531733 51.475500 BFGS: 86 09:36:07 1257.162464 51.127133 BFGS: 87 09:36:08 1249.844821 50.779820 BFGS: 88 09:36:08 1242.577867 50.433458 BFGS: 89 09:36:08 1235.360524 50.090604 BFGS: 90 09:36:08 1228.191149 49.768785 BFGS: 91 09:36:08 1221.082207 49.449809 BFGS: 92 09:36:08 1214.032820 49.132285 BFGS: 93 09:36:08 1207.041736 48.816063 BFGS: 94 09:36:08 1200.107646 48.500990 BFGS: 95 09:36:08 1193.229201 48.186923 BFGS: 96 09:36:08 1186.405030 47.873720 BFGS: 97 09:36:08 1179.633637 47.561480 BFGS: 98 09:36:08 1172.910279 47.250022 BFGS: 99 09:36:08 1166.230553 46.938910 BFGS: 100 09:36:09 1159.591810 46.629205 BFGS: 101 09:36:09 1152.984951 46.319652 BFGS: 102 09:36:09 1146.408144 46.009851 BFGS: 103 09:36:09 1139.860453 45.699709 BFGS: 104 09:36:09 1133.341037 45.389146 BFGS: 105 09:36:09 1126.849147 45.078347 BFGS: 106 09:36:09 1120.382641 44.769392 BFGS: 107 09:36:09 1113.937781 44.459943 BFGS: 108 09:36:09 1107.514438 44.149808 BFGS: 109 09:36:09 1101.112509 43.838946 BFGS: 110 09:36:09 1094.731543 43.530365 BFGS: 111 09:36:09 1088.368328 43.223455 BFGS: 112 09:36:09 1082.024611 42.917479 BFGS: 113 09:36:09 1075.702010 42.611308 BFGS: 114 09:36:09 1069.396731 42.316683 BFGS: 115 09:36:09 1063.104770 42.039197 BFGS: 116 09:36:09 1056.827027 41.760853 BFGS: 117 09:36:09 1050.564849 41.481620 BFGS: 118 09:36:09 1044.319482 41.201517 BFGS: 119 09:36:10 1038.098173 40.920856 BFGS: 120 09:36:10 1031.904322 40.639716 BFGS: 121 09:36:10 1025.741058 40.358190 BFGS: 122 09:36:10 1019.610189 40.076284 BFGS: 123 09:36:10 1013.513352 39.794003 BFGS: 124 09:36:10 1007.452195 39.511366 BFGS: 125 09:36:10 1001.428145 39.231252 BFGS: 126 09:36:10 995.441931 38.953351 BFGS: 127 09:36:10 989.493683 38.677478 BFGS: 128 09:36:10 983.583325 38.405411 BFGS: 129 09:36:10 977.707139 38.134270 BFGS: 130 09:36:11 971.863982 37.865097 BFGS: 131 09:36:11 966.062891 37.603203 BFGS: 132 09:36:11 960.304278 37.341687 BFGS: 133 09:36:11 954.596822 37.080642 BFGS: 134 09:36:11 948.940767 36.820101 BFGS: 135 09:36:11 943.335605 36.560068 BFGS: 136 09:36:11 937.780754 36.300554 BFGS: 137 09:36:11 932.275352 36.045347 BFGS: 138 09:36:11 926.816216 35.798571 BFGS: 139 09:36:11 921.400628 35.557532 BFGS: 140 09:36:12 916.028718 35.317001 BFGS: 141 09:36:12 910.699986 35.076976 BFGS: 142 09:36:12 905.413930 34.837455 BFGS: 143 09:36:12 900.170055 34.598440 BFGS: 144 09:36:12 894.967875 34.359934 BFGS: 145 09:36:12 889.806919 34.121942 BFGS: 146 09:36:12 884.686732 33.884468 BFGS: 147 09:36:12 879.606880 33.647520 BFGS: 148 09:36:12 874.566947 33.411103 BFGS: 149 09:36:12 869.566538 33.175226 BFGS: 150 09:36:12 864.605278 32.939895 BFGS: 151 09:36:12 859.682813 32.705119 BFGS: 152 09:36:12 854.798805 32.470906 BFGS: 153 09:36:12 849.952934 32.237264 BFGS: 154 09:36:13 845.144897 32.004203 BFGS: 155 09:36:13 840.374400 31.771731 BFGS: 156 09:36:13 835.641164 31.539858 BFGS: 157 09:36:13 830.944918 31.308593 BFGS: 158 09:36:13 826.285396 31.077946 BFGS: 159 09:36:13 821.662339 30.847927 BFGS: 160 09:36:13 817.075340 30.621493 BFGS: 161 09:36:13 812.523816 30.404305 BFGS: 162 09:36:13 808.008448 30.192758 BFGS: 163 09:36:13 803.529383 29.984391 BFGS: 164 09:36:14 799.086974 29.776779 BFGS: 165 09:36:14 794.680713 29.571615 BFGS: 166 09:36:14 790.310064 29.370982 BFGS: 167 09:36:14 785.975774 29.171415 BFGS: 168 09:36:14 781.676940 28.974319 BFGS: 169 09:36:14 777.412885 28.777932 BFGS: 170 09:36:14 773.182931 28.584846 BFGS: 171 09:36:14 768.983935 28.394278 BFGS: 172 09:36:14 764.814732 28.204303 BFGS: 173 09:36:14 760.674775 28.020620 BFGS: 174 09:36:14 756.561413 27.846152 BFGS: 175 09:36:14 752.476800 27.680852 BFGS: 176 09:36:14 748.423103 27.516326 BFGS: 177 09:36:14 744.399903 27.354359 BFGS: 178 09:36:15 740.405000 27.193317 BFGS: 179 09:36:15 736.437905 27.032809 BFGS: 180 09:36:15 732.498440 26.872807 BFGS: 181 09:36:15 728.586422 26.713285 BFGS: 182 09:36:15 724.701658 26.554216 BFGS: 183 09:36:15 720.843952 26.395577 BFGS: 184 09:36:15 717.013057 26.237995 BFGS: 185 09:36:15 713.208484 26.081410 BFGS: 186 09:36:15 709.429934 25.925189 BFGS: 187 09:36:15 705.677147 25.769910 BFGS: 188 09:36:15 701.949866 25.615037 BFGS: 189 09:36:15 698.247831 25.460486 BFGS: 190 09:36:16 694.570714 25.306547 BFGS: 191 09:36:16 690.917159 25.153145 BFGS: 192 09:36:16 687.285905 25.001104 BFGS: 193 09:36:16 683.675808 24.850278 BFGS: 194 09:36:16 680.086818 24.700382 BFGS: 195 09:36:16 676.518416 24.551351 BFGS: 196 09:36:16 672.970002 24.402968 BFGS: 197 09:36:16 669.440648 24.255122 BFGS: 198 09:36:16 665.928708 24.107629 BFGS: 199 09:36:17 662.433053 23.960499 BFGS: 200 09:36:17 658.952649 23.813494 BFGS: 201 09:36:17 655.487452 23.666623 BFGS: 202 09:36:17 652.037407 23.519897 BFGS: 203 09:36:17 648.602458 23.373325 BFGS: 204 09:36:17 645.182544 23.226918 BFGS: 205 09:36:17 641.777601 23.080736 BFGS: 206 09:36:17 638.387506 22.935275 BFGS: 207 09:36:17 635.011918 22.791046 BFGS: 208 09:36:17 631.658314 22.647812 BFGS: 209 09:36:17 628.338569 22.506001 BFGS: 210 09:36:18 625.052559 22.365315 BFGS: 211 09:36:18 621.799745 22.225752 BFGS: 212 09:36:18 618.579577 22.087312 BFGS: 213 09:36:18 615.391503 21.958544 BFGS: 214 09:36:18 612.234966 21.843829 BFGS: 215 09:36:18 609.109413 21.729891 BFGS: 216 09:36:18 606.014291 21.616708 BFGS: 217 09:36:18 602.949010 21.504323 BFGS: 218 09:36:18 599.911896 21.392715 BFGS: 219 09:36:18 596.900790 21.281700 BFGS: 220 09:36:19 593.915174 21.171262 BFGS: 221 09:36:19 590.954544 21.061385 BFGS: 222 09:36:19 588.018411 20.952054 BFGS: 223 09:36:19 585.106300 20.843255 BFGS: 224 09:36:19 582.217751 20.734974 BFGS: 225 09:36:19 579.352321 20.627199 BFGS: 226 09:36:19 576.509580 20.519917 BFGS: 227 09:36:19 573.689111 20.413119 BFGS: 228 09:36:19 570.890515 20.306795 BFGS: 229 09:36:19 568.113403 20.200933 BFGS: 230 09:36:19 565.357402 20.095526 BFGS: 231 09:36:20 562.622154 19.990566 BFGS: 232 09:36:20 559.907311 19.886044 BFGS: 233 09:36:20 557.212539 19.781954 BFGS: 234 09:36:20 554.537518 19.678290 BFGS: 235 09:36:20 551.881820 19.575308 BFGS: 236 09:36:20 549.243806 19.472883 BFGS: 237 09:36:20 546.622598 19.370804 BFGS: 238 09:36:20 544.017929 19.269067 BFGS: 239 09:36:20 541.429545 19.167668 BFGS: 240 09:36:21 538.857204 19.066605 BFGS: 241 09:36:21 536.300679 18.965873 BFGS: 242 09:36:21 533.759715 18.865526 BFGS: 243 09:36:21 531.233311 18.765492 BFGS: 244 09:36:21 528.721115 18.665804 BFGS: 245 09:36:21 526.222140 18.566387 BFGS: 246 09:36:21 523.736238 18.467238 BFGS: 247 09:36:21 521.263262 18.368357 BFGS: 248 09:36:21 518.803076 18.269741 BFGS: 249 09:36:21 516.355549 18.171390 BFGS: 250 09:36:21 513.920555 18.073302 BFGS: 251 09:36:22 511.497976 17.975476 BFGS: 252 09:36:22 509.087699 17.877913 BFGS: 253 09:36:22 506.689595 17.781947 BFGS: 254 09:36:22 504.302984 17.690903 BFGS: 255 09:36:22 501.927459 17.600099 BFGS: 256 09:36:22 499.562935 17.509534 BFGS: 257 09:36:22 497.209330 17.419210 BFGS: 258 09:36:22 494.866568 17.329127 BFGS: 259 09:36:22 492.534572 17.239301 BFGS: 260 09:36:22 490.213131 17.149736 BFGS: 261 09:36:22 487.902087 17.060425 BFGS: 262 09:36:22 485.601406 16.971367 BFGS: 263 09:36:22 483.311050 16.882564 BFGS: 264 09:36:23 481.030986 16.794015 BFGS: 265 09:36:23 478.761180 16.705721 BFGS: 266 09:36:23 476.501600 16.617682 BFGS: 267 09:36:23 474.252215 16.529899 BFGS: 268 09:36:23 472.012994 16.442373 BFGS: 269 09:36:23 469.783908 16.355103 BFGS: 270 09:36:23 467.564929 16.268091 BFGS: 271 09:36:23 465.356027 16.181337 BFGS: 272 09:36:23 463.157173 16.095148 BFGS: 273 09:36:24 460.968314 16.010089 BFGS: 274 09:36:24 458.789538 15.925280 BFGS: 275 09:36:24 456.620791 15.840724 BFGS: 276 09:36:24 454.462025 15.756420 BFGS: 277 09:36:24 452.313191 15.672372 BFGS: 278 09:36:24 450.174245 15.588578 BFGS: 279 09:36:24 448.045146 15.505041 BFGS: 280 09:36:24 445.925853 15.421762 BFGS: 281 09:36:24 443.816328 15.338741 BFGS: 282 09:36:24 441.716534 15.255978 BFGS: 283 09:36:24 439.626425 15.174024 BFGS: 284 09:36:25 437.545922 15.093274 BFGS: 285 09:36:25 435.475055 15.012791 BFGS: 286 09:36:25 433.413796 14.932573 BFGS: 287 09:36:25 431.362071 14.852875 BFGS: 288 09:36:25 429.319092 14.773530 BFGS: 289 09:36:25 427.284570 14.694438 BFGS: 290 09:36:25 425.258460 14.615596 BFGS: 291 09:36:26 423.240715 14.537003 BFGS: 292 09:36:26 421.231289 14.458658 BFGS: 293 09:36:26 419.230132 14.380560 BFGS: 294 09:36:26 417.237196 14.302707 BFGS: 295 09:36:26 415.252431 14.225100 BFGS: 296 09:36:26 413.275786 14.147736 BFGS: 297 09:36:26 411.307212 14.070616 BFGS: 298 09:36:26 409.346659 13.993738 BFGS: 299 09:36:26 407.394075 13.917102 BFGS: 300 09:36:27 405.449413 13.840706 BFGS: 301 09:36:27 403.512623 13.764551 BFGS: 302 09:36:27 401.583655 13.688635 BFGS: 303 09:36:27 399.662463 13.612958 BFGS: 304 09:36:27 397.748999 13.537519 BFGS: 305 09:36:27 395.843216 13.462317 BFGS: 306 09:36:27 393.945069 13.387351 BFGS: 307 09:36:27 392.054513 13.312622 BFGS: 308 09:36:27 390.171506 13.238127 BFGS: 309 09:36:27 388.296005 13.163867 BFGS: 310 09:36:27 386.427969 13.089839 BFGS: 311 09:36:28 384.567358 13.016045 BFGS: 312 09:36:28 382.714135 12.942482 BFGS: 313 09:36:28 380.868262 12.869150 BFGS: 314 09:36:28 379.029705 12.796048 BFGS: 315 09:36:28 377.198430 12.723234 BFGS: 316 09:36:28 375.374349 12.651301 BFGS: 317 09:36:28 373.557393 12.579589 BFGS: 318 09:36:28 371.747551 12.508096 BFGS: 319 09:36:28 369.944813 12.436821 BFGS: 320 09:36:28 368.149170 12.365763 BFGS: 321 09:36:28 366.360614 12.294919 BFGS: 322 09:36:29 364.579136 12.224290 BFGS: 323 09:36:29 362.804730 12.153873 BFGS: 324 09:36:29 361.037389 12.083668 BFGS: 325 09:36:29 359.277111 12.013673 BFGS: 326 09:36:29 357.523890 11.943889 BFGS: 327 09:36:30 355.777725 11.874313 BFGS: 328 09:36:30 354.038617 11.806330 BFGS: 329 09:36:30 352.306564 11.742619 BFGS: 330 09:36:30 350.581571 11.679080 BFGS: 331 09:36:30 348.863641 11.615711 BFGS: 332 09:36:31 347.152779 11.552508 BFGS: 333 09:36:31 345.448992 11.489471 BFGS: 334 09:36:31 343.752280 11.427064 BFGS: 335 09:36:31 342.062601 11.365286 BFGS: 336 09:36:31 340.379966 11.303647 BFGS: 337 09:36:31 338.704393 11.242395 BFGS: 338 09:36:32 337.035864 11.181973 BFGS: 339 09:36:32 335.374403 11.121675 BFGS: 340 09:36:32 333.720032 11.061499 BFGS: 341 09:36:32 332.072770 11.001445 BFGS: 342 09:36:32 330.432640 10.941512 BFGS: 343 09:36:32 328.799667 10.881699 BFGS: 344 09:36:32 327.173869 10.822343 BFGS: 345 09:36:32 325.555218 10.763130 BFGS: 346 09:36:33 323.943735 10.704023 BFGS: 347 09:36:33 322.339447 10.645023 BFGS: 348 09:36:33 320.742381 10.586128 BFGS: 349 09:36:33 319.152568 10.527339 BFGS: 350 09:36:33 317.570037 10.468655 BFGS: 351 09:36:33 315.994818 10.410076 BFGS: 352 09:36:33 314.426943 10.351603 BFGS: 353 09:36:34 312.866442 10.293422 BFGS: 354 09:36:34 311.313289 10.236262 BFGS: 355 09:36:34 309.767501 10.179206 BFGS: 356 09:36:34 308.229102 10.122255 BFGS: 357 09:36:34 306.698120 10.065407 BFGS: 358 09:36:34 305.174579 10.008664 BFGS: 359 09:36:34 303.658508 9.952026 BFGS: 360 09:36:34 302.149932 9.895492 BFGS: 361 09:36:34 300.648879 9.839064 BFGS: 362 09:36:34 299.155374 9.782742 BFGS: 363 09:36:35 297.669446 9.726525 BFGS: 364 09:36:35 296.191119 9.670416 BFGS: 365 09:36:35 294.720420 9.614413 BFGS: 366 09:36:35 293.257373 9.558519 BFGS: 367 09:36:35 291.802003 9.502733 BFGS: 368 09:36:35 290.354333 9.447057 BFGS: 369 09:36:35 288.914386 9.391490 BFGS: 370 09:36:35 287.482185 9.336035 BFGS: 371 09:36:35 286.057824 9.280695 BFGS: 372 09:36:35 284.642623 9.229504 BFGS: 373 09:36:35 283.236015 9.181331 BFGS: 374 09:36:36 281.838192 9.133325 BFGS: 375 09:36:36 280.449114 9.085486 BFGS: 376 09:36:36 279.068744 9.037812 BFGS: 377 09:36:36 277.697041 8.990303 BFGS: 378 09:36:36 276.333966 8.942960 BFGS: 379 09:36:36 274.979479 8.895781 BFGS: 380 09:36:37 273.633539 8.848768 BFGS: 381 09:36:37 272.296107 8.801919 BFGS: 382 09:36:37 270.967140 8.755234 BFGS: 383 09:36:37 269.646599 8.708714 BFGS: 384 09:36:37 268.334441 8.662358 BFGS: 385 09:36:38 267.030624 8.616167 BFGS: 386 09:36:38 265.735103 8.570216 BFGS: 387 09:36:38 264.447769 8.524607 BFGS: 388 09:36:38 263.168499 8.479160 BFGS: 389 09:36:38 261.897246 8.433875 BFGS: 390 09:36:38 260.633964 8.388751 BFGS: 391 09:36:39 259.378604 8.343790 BFGS: 392 09:36:39 258.131119 8.298991 BFGS: 393 09:36:39 256.891461 8.254356 BFGS: 394 09:36:39 255.659581 8.209883 BFGS: 395 09:36:40 254.435430 8.165573 BFGS: 396 09:36:40 253.218959 8.121427 BFGS: 397 09:36:40 252.010119 8.077444 BFGS: 398 09:36:40 250.808861 8.033624 BFGS: 399 09:36:40 249.615131 7.990053 BFGS: 400 09:36:41 248.428762 7.946926 BFGS: 401 09:36:41 247.249526 7.903959 BFGS: 402 09:36:41 246.077377 7.861152 BFGS: 403 09:36:41 244.912267 7.818506 BFGS: 404 09:36:41 243.754148 7.776021 BFGS: 405 09:36:42 242.602973 7.733697 BFGS: 406 09:36:42 241.458694 7.691535 BFGS: 407 09:36:42 240.321253 7.649917 BFGS: 408 09:36:43 239.190572 7.608901 BFGS: 409 09:36:43 238.066627 7.568049 BFGS: 410 09:36:43 236.949370 7.527360 BFGS: 411 09:36:43 235.838720 7.487561 BFGS: 412 09:36:43 234.734652 7.448067 BFGS: 413 09:36:43 233.637129 7.408733 BFGS: 414 09:36:43 232.546042 7.369902 BFGS: 415 09:36:44 231.461083 7.331288 BFGS: 416 09:36:44 230.382169 7.292826 BFGS: 417 09:36:44 229.309253 7.254515 BFGS: 418 09:36:45 228.242285 7.216354 BFGS: 419 09:36:45 227.181203 7.178520 BFGS: 420 09:36:45 226.125687 7.141812 BFGS: 421 09:36:45 225.075458 7.105486 BFGS: 422 09:36:46 224.030486 7.069298 BFGS: 423 09:36:46 222.990745 7.033249 BFGS: 424 09:36:46 221.956206 6.997337 BFGS: 425 09:36:46 220.926841 6.961562 BFGS: 426 09:36:46 219.902623 6.925924 BFGS: 427 09:36:46 218.883526 6.890421 BFGS: 428 09:36:47 217.869522 6.855053 BFGS: 429 09:36:47 216.860585 6.819820 BFGS: 430 09:36:47 215.856690 6.784721 BFGS: 431 09:36:47 214.857812 6.749755 BFGS: 432 09:36:47 213.863924 6.714921 BFGS: 433 09:36:48 212.875003 6.680219 BFGS: 434 09:36:48 211.891023 6.645649 BFGS: 435 09:36:48 210.911962 6.611208 BFGS: 436 09:36:48 209.937796 6.576898 BFGS: 437 09:36:49 208.968500 6.542716 BFGS: 438 09:36:49 208.004053 6.508663 BFGS: 439 09:36:49 207.044431 6.474737 BFGS: 440 09:36:49 206.089613 6.440938 BFGS: 441 09:36:49 205.139576 6.407264 BFGS: 442 09:36:49 204.194300 6.373716 BFGS: 443 09:36:49 203.253761 6.340292 BFGS: 444 09:36:50 202.317941 6.306992 BFGS: 445 09:36:50 201.386817 6.273815 BFGS: 446 09:36:50 200.460370 6.240759 BFGS: 447 09:36:50 199.538580 6.207825 BFGS: 448 09:36:50 198.621427 6.175012 BFGS: 449 09:36:50 197.708891 6.142318 BFGS: 450 09:36:51 196.800954 6.109742 BFGS: 451 09:36:51 195.897596 6.077285 BFGS: 452 09:36:51 194.998799 6.044945 BFGS: 453 09:36:51 194.104545 6.012721 BFGS: 454 09:36:51 193.214816 5.980613 BFGS: 455 09:36:51 192.329593 5.948620 BFGS: 456 09:36:51 191.448861 5.916740 BFGS: 457 09:36:52 190.572600 5.884974 BFGS: 458 09:36:52 189.700795 5.853320 BFGS: 459 09:36:52 188.833426 5.821986 BFGS: 460 09:36:52 187.970399 5.791468 BFGS: 461 09:36:52 187.111659 5.761255 BFGS: 462 09:36:53 186.257040 5.732887 BFGS: 463 09:36:53 185.406430 5.704819 BFGS: 464 09:36:53 184.559724 5.677653 BFGS: 465 09:36:53 183.716870 5.650575 BFGS: 466 09:36:53 182.877850 5.623583 BFGS: 467 09:36:54 182.042649 5.596679 BFGS: 468 09:36:54 181.211251 5.569861 BFGS: 469 09:36:54 180.383640 5.543128 BFGS: 470 09:36:54 179.559803 5.516482 BFGS: 471 09:36:55 178.740021 5.489931 BFGS: 472 09:36:55 177.924324 5.463476 BFGS: 473 09:36:55 177.112693 5.437117 BFGS: 474 09:36:55 176.305110 5.410853 BFGS: 475 09:36:55 175.501556 5.384685 BFGS: 476 09:36:56 174.702013 5.358611 BFGS: 477 09:36:56 173.906464 5.332632 BFGS: 478 09:36:56 173.114892 5.306746 BFGS: 479 09:36:56 172.327278 5.280954 BFGS: 480 09:36:56 171.543586 5.255603 BFGS: 481 09:36:56 170.763791 5.230674 BFGS: 482 09:36:57 169.987963 5.205838 BFGS: 483 09:36:57 169.216081 5.181494 BFGS: 484 09:36:57 168.447973 5.158380 BFGS: 485 09:36:58 167.683453 5.135349 BFGS: 486 09:36:58 166.922507 5.112401 BFGS: 487 09:36:58 166.165119 5.089535 BFGS: 488 09:36:58 165.411273 5.066751 BFGS: 489 09:36:58 164.660955 5.044049 BFGS: 490 09:36:59 163.914148 5.021427 BFGS: 491 09:36:59 163.170838 4.998886 BFGS: 492 09:36:59 162.431010 4.976426 BFGS: 493 09:36:59 161.694649 4.954045 BFGS: 494 09:36:59 160.961739 4.931743 BFGS: 495 09:37:00 160.232267 4.909521 BFGS: 496 09:37:00 159.506217 4.887376 BFGS: 497 09:37:00 158.783576 4.865310 BFGS: 498 09:37:00 158.064329 4.843322 BFGS: 499 09:37:01 157.348461 4.821411 BFGS: 500 09:37:01 156.635959 4.799576 BFGS: 501 09:37:01 155.926809 4.777818 BFGS: 502 09:37:01 155.220996 4.756136 BFGS: 503 09:37:01 154.518506 4.734530 BFGS: 504 09:37:01 153.819327 4.712998 BFGS: 505 09:37:02 153.123445 4.691541 BFGS: 506 09:37:02 152.430845 4.670159 BFGS: 507 09:37:02 151.741515 4.648850 BFGS: 508 09:37:02 151.055442 4.627614 BFGS: 509 09:37:02 150.372612 4.606452 BFGS: 510 09:37:03 149.693012 4.585362 BFGS: 511 09:37:03 149.016629 4.564345 BFGS: 512 09:37:03 148.343452 4.543399 BFGS: 513 09:37:03 147.673466 4.522524 BFGS: 514 09:37:03 147.006659 4.501721 BFGS: 515 09:37:03 146.343019 4.480988 BFGS: 516 09:37:03 145.682534 4.460325 BFGS: 517 09:37:04 145.025191 4.439732 BFGS: 518 09:37:04 144.370978 4.419208 BFGS: 519 09:37:04 143.719883 4.398754 BFGS: 520 09:37:05 143.071894 4.378367 BFGS: 521 09:37:05 142.427000 4.358049 BFGS: 522 09:37:05 141.785187 4.337799 BFGS: 523 09:37:05 141.146446 4.317616 BFGS: 524 09:37:05 140.510764 4.297500 BFGS: 525 09:37:05 139.878130 4.277451 BFGS: 526 09:37:05 139.248526 4.257734 BFGS: 527 09:37:06 138.621883 4.238256 BFGS: 528 09:37:06 137.998162 4.218841 BFGS: 529 09:37:06 137.377352 4.199487 BFGS: 530 09:37:06 136.759443 4.180195 BFGS: 531 09:37:06 136.144408 4.161382 BFGS: 532 09:37:06 135.532152 4.142721 BFGS: 533 09:37:06 134.922652 4.124119 BFGS: 534 09:37:07 134.315897 4.105574 BFGS: 535 09:37:07 133.711880 4.087087 BFGS: 536 09:37:07 133.110590 4.068657 BFGS: 537 09:37:07 132.512019 4.050285 BFGS: 538 09:37:07 131.916156 4.031970 BFGS: 539 09:37:07 131.322994 4.013711 BFGS: 540 09:37:07 130.732522 3.995510 BFGS: 541 09:37:07 130.144731 3.977365 BFGS: 542 09:37:08 129.559612 3.959277 BFGS: 543 09:37:08 128.977155 3.941245 BFGS: 544 09:37:08 128.397352 3.923269 BFGS: 545 09:37:08 127.820193 3.905349 BFGS: 546 09:37:09 127.245666 3.887740 BFGS: 547 09:37:09 126.673659 3.871191 BFGS: 548 09:37:09 126.104032 3.854704 BFGS: 549 09:37:09 125.536768 3.838280 BFGS: 550 09:37:09 124.971838 3.822524 BFGS: 551 09:37:09 124.409062 3.807525 BFGS: 552 09:37:09 123.848340 3.792563 BFGS: 553 09:37:10 123.289668 3.777636 BFGS: 554 09:37:10 122.733045 3.762745 BFGS: 555 09:37:10 122.178467 3.747891 BFGS: 556 09:37:10 121.625931 3.733137 BFGS: 557 09:37:10 121.075379 3.718789 BFGS: 558 09:37:10 120.526918 3.704484 BFGS: 559 09:37:10 119.980537 3.690224 BFGS: 560 09:37:11 119.436222 3.676063 BFGS: 561 09:37:11 118.893906 3.662300 BFGS: 562 09:37:11 118.353603 3.648576 BFGS: 563 09:37:11 117.815309 3.634891 BFGS: 564 09:37:11 117.279021 3.621245 BFGS: 565 09:37:11 116.744734 3.607639 BFGS: 566 09:37:12 116.212442 3.594072 BFGS: 567 09:37:12 115.682142 3.580544 BFGS: 568 09:37:12 115.153827 3.567054 BFGS: 569 09:37:12 114.627494 3.553603 BFGS: 570 09:37:12 114.103137 3.540191 BFGS: 571 09:37:12 113.580750 3.526817 BFGS: 572 09:37:12 113.060330 3.513481 BFGS: 573 09:37:12 112.541870 3.500184 BFGS: 574 09:37:12 112.025365 3.486924 BFGS: 575 09:37:13 111.510810 3.473702 BFGS: 576 09:37:13 110.998200 3.460518 BFGS: 577 09:37:13 110.487530 3.447372 BFGS: 578 09:37:13 109.978793 3.434263 BFGS: 579 09:37:13 109.471985 3.421191 BFGS: 580 09:37:13 108.967100 3.408156 BFGS: 581 09:37:13 108.464133 3.395159 BFGS: 582 09:37:13 107.963078 3.382198 BFGS: 583 09:37:13 107.463931 3.369274 BFGS: 584 09:37:13 106.966685 3.356387 BFGS: 585 09:37:13 106.471336 3.343536 BFGS: 586 09:37:13 105.977877 3.330721 BFGS: 587 09:37:13 105.486305 3.317943 BFGS: 588 09:37:13 104.996612 3.305201 BFGS: 589 09:37:13 104.508795 3.292494 BFGS: 590 09:37:13 104.022847 3.279824 BFGS: 591 09:37:13 103.538764 3.267189 BFGS: 592 09:37:13 103.056540 3.254590 BFGS: 593 09:37:13 102.576170 3.242026 BFGS: 594 09:37:13 102.097648 3.229497 BFGS: 595 09:37:14 101.620970 3.217004 BFGS: 596 09:37:14 101.146130 3.204546 BFGS: 597 09:37:14 100.673123 3.192122 BFGS: 598 09:37:14 100.201944 3.179733 BFGS: 599 09:37:14 99.732587 3.167379 BFGS: 600 09:37:14 99.265048 3.155060 BFGS: 601 09:37:14 98.799321 3.142775 BFGS: 602 09:37:14 98.335401 3.130524 BFGS: 603 09:37:15 97.873284 3.118307 BFGS: 604 09:37:15 97.412964 3.106125 BFGS: 605 09:37:15 96.954436 3.093976 BFGS: 606 09:37:15 96.497695 3.081861 BFGS: 607 09:37:15 96.042736 3.069779 BFGS: 608 09:37:15 95.589554 3.057732 BFGS: 609 09:37:15 95.138144 3.045717 BFGS: 610 09:37:16 94.688501 3.033736 BFGS: 611 09:37:16 94.240621 3.021788 BFGS: 612 09:37:16 93.794497 3.009873 BFGS: 613 09:37:16 93.350127 2.997991 BFGS: 614 09:37:16 92.907503 2.986141 BFGS: 615 09:37:16 92.466623 2.974325 BFGS: 616 09:37:16 92.027480 2.962541 BFGS: 617 09:37:16 91.590070 2.950789 BFGS: 618 09:37:16 91.154389 2.939070 BFGS: 619 09:37:17 90.720431 2.927383 BFGS: 620 09:37:17 90.288192 2.915728 BFGS: 621 09:37:17 89.857667 2.904105 BFGS: 622 09:37:17 89.428851 2.892513 BFGS: 623 09:37:17 89.001740 2.880954 BFGS: 624 09:37:17 88.576329 2.869426 BFGS: 625 09:37:17 88.152613 2.857929 BFGS: 626 09:37:17 87.730588 2.846464 BFGS: 627 09:37:18 87.310249 2.835030 BFGS: 628 09:37:18 86.891591 2.823628 BFGS: 629 09:37:18 86.474610 2.812256 BFGS: 630 09:37:18 86.059301 2.800916 BFGS: 631 09:37:18 85.645660 2.789606 BFGS: 632 09:37:18 85.233683 2.778326 BFGS: 633 09:37:19 84.823364 2.767078 BFGS: 634 09:37:19 84.414699 2.755860 BFGS: 635 09:37:19 84.007684 2.744672 BFGS: 636 09:37:19 83.602315 2.733514 BFGS: 637 09:37:19 83.198586 2.722387 BFGS: 638 09:37:19 82.796494 2.711290 BFGS: 639 09:37:19 82.396034 2.700222 BFGS: 640 09:37:19 81.997201 2.689185 BFGS: 641 09:37:19 81.599992 2.678177 BFGS: 642 09:37:19 81.204402 2.667199 BFGS: 643 09:37:19 80.810427 2.656250 BFGS: 644 09:37:19 80.418062 2.645330 BFGS: 645 09:37:20 80.027303 2.634440 BFGS: 646 09:37:20 79.638146 2.623579 BFGS: 647 09:37:20 79.250586 2.612747 BFGS: 648 09:37:20 78.864620 2.601944 BFGS: 649 09:37:20 78.480243 2.591170 BFGS: 650 09:37:20 78.097451 2.580425 BFGS: 651 09:37:20 77.716239 2.569708 BFGS: 652 09:37:20 77.336604 2.559020 BFGS: 653 09:37:20 76.958542 2.548360 BFGS: 654 09:37:20 76.582048 2.537728 BFGS: 655 09:37:20 76.207118 2.527125 BFGS: 656 09:37:21 75.833748 2.516550 BFGS: 657 09:37:21 75.461934 2.506003 BFGS: 658 09:37:21 75.091671 2.495515 BFGS: 659 09:37:21 74.722903 2.485238 BFGS: 660 09:37:21 74.355654 2.474992 BFGS: 661 09:37:21 73.989917 2.464779 BFGS: 662 09:37:21 73.625689 2.454597 BFGS: 663 09:37:22 73.262962 2.444447 BFGS: 664 09:37:22 72.901731 2.434329 BFGS: 665 09:37:22 72.541992 2.424242 BFGS: 666 09:37:22 72.183737 2.414186 BFGS: 667 09:37:22 71.826952 2.404644 BFGS: 668 09:37:23 71.471505 2.395707 BFGS: 669 09:37:23 71.117316 2.386807 BFGS: 670 09:37:23 70.764377 2.377944 BFGS: 671 09:37:23 70.412680 2.369118 BFGS: 672 09:37:23 70.062218 2.360329 BFGS: 673 09:37:23 69.712983 2.351575 BFGS: 674 09:37:23 69.364966 2.342857 BFGS: 675 09:37:24 69.018161 2.334175 BFGS: 676 09:37:24 68.672559 2.325528 BFGS: 677 09:37:24 68.328155 2.316917 BFGS: 678 09:37:24 67.984940 2.308340 BFGS: 679 09:37:24 67.642908 2.299798 BFGS: 680 09:37:24 67.302051 2.291290 BFGS: 681 09:37:24 66.962364 2.282817 BFGS: 682 09:37:24 66.623839 2.274377 BFGS: 683 09:37:24 66.286470 2.265971 BFGS: 684 09:37:25 65.950251 2.257598 BFGS: 685 09:37:25 65.615175 2.249258 BFGS: 686 09:37:25 65.281237 2.240951 BFGS: 687 09:37:25 64.948430 2.232676 BFGS: 688 09:37:25 64.616748 2.224434 BFGS: 689 09:37:25 64.286186 2.216224 BFGS: 690 09:37:25 63.956739 2.208045 BFGS: 691 09:37:25 63.628401 2.199897 BFGS: 692 09:37:25 63.301166 2.191781 BFGS: 693 09:37:25 62.975029 2.183695 BFGS: 694 09:37:25 62.649985 2.175640 BFGS: 695 09:37:26 62.326030 2.167615 BFGS: 696 09:37:26 62.003158 2.159620 BFGS: 697 09:37:26 61.681364 2.151655 BFGS: 698 09:37:26 61.360645 2.143719 BFGS: 699 09:37:26 61.040995 2.135813 BFGS: 700 09:37:26 60.722410 2.127935 BFGS: 701 09:37:26 60.404886 2.120085 BFGS: 702 09:37:26 60.088419 2.112264 BFGS: 703 09:37:27 59.773004 2.104471 BFGS: 704 09:37:27 59.458637 2.096705 BFGS: 705 09:37:27 59.145315 2.088967 BFGS: 706 09:37:27 58.833034 2.081256 BFGS: 707 09:37:27 58.521791 2.073571 BFGS: 708 09:37:27 58.211581 2.065914 BFGS: 709 09:37:27 57.902401 2.058282 BFGS: 710 09:37:27 57.594248 2.050677 BFGS: 711 09:37:27 57.287119 2.043097 BFGS: 712 09:37:28 56.981010 2.035543 BFGS: 713 09:37:28 56.675919 2.028014 BFGS: 714 09:37:28 56.371841 2.020510 BFGS: 715 09:37:28 56.068775 2.013031 BFGS: 716 09:37:28 55.766718 2.005576 BFGS: 717 09:37:28 55.465667 1.998145 BFGS: 718 09:37:28 55.165618 1.990738 BFGS: 719 09:37:28 54.866570 1.983354 BFGS: 720 09:37:28 54.568521 1.975994 BFGS: 721 09:37:28 54.271466 1.968657 BFGS: 722 09:37:29 53.975406 1.961343 BFGS: 723 09:37:29 53.680336 1.954052 BFGS: 724 09:37:29 53.386255 1.946783 BFGS: 725 09:37:29 53.093160 1.939536 BFGS: 726 09:37:29 52.801050 1.932311 BFGS: 727 09:37:29 52.509923 1.925107 BFGS: 728 09:37:29 52.219776 1.917925 BFGS: 729 09:37:29 51.930609 1.910765 BFGS: 730 09:37:29 51.642418 1.903625 BFGS: 731 09:37:29 51.355202 1.896505 BFGS: 732 09:37:29 51.068960 1.889407 BFGS: 733 09:37:30 50.783690 1.882328 BFGS: 734 09:37:30 50.499390 1.875270 BFGS: 735 09:37:30 50.216059 1.868231 BFGS: 736 09:37:30 49.933695 1.861212 BFGS: 737 09:37:30 49.652297 1.854213 BFGS: 738 09:37:30 49.371864 1.847232 BFGS: 739 09:37:30 49.092393 1.840271 BFGS: 740 09:37:31 48.813885 1.833328 BFGS: 741 09:37:31 48.536338 1.826404 BFGS: 742 09:37:31 48.259750 1.819498 BFGS: 743 09:37:31 47.984120 1.812611 BFGS: 744 09:37:31 47.709448 1.805741 BFGS: 745 09:37:31 47.435731 1.798889 BFGS: 746 09:37:31 47.162970 1.792055 BFGS: 747 09:37:32 46.891164 1.785238 BFGS: 748 09:37:32 46.620310 1.778439 BFGS: 749 09:37:32 46.350409 1.771656 BFGS: 750 09:37:32 46.081459 1.764890 BFGS: 751 09:37:32 45.813460 1.758141 BFGS: 752 09:37:32 45.546410 1.751409 BFGS: 753 09:37:32 45.280310 1.744693 BFGS: 754 09:37:32 45.015158 1.737993 BFGS: 755 09:37:32 44.750953 1.731309 BFGS: 756 09:37:33 44.487695 1.724642 BFGS: 757 09:37:33 44.225383 1.717989 BFGS: 758 09:37:33 43.964017 1.711353 BFGS: 759 09:37:33 43.703595 1.704732 BFGS: 760 09:37:34 43.444118 1.698126 BFGS: 761 09:37:34 43.185584 1.691535 BFGS: 762 09:37:34 42.927993 1.684959 BFGS: 763 09:37:34 42.671345 1.678398 BFGS: 764 09:37:34 42.415639 1.671852 BFGS: 765 09:37:35 42.160874 1.665320 BFGS: 766 09:37:35 41.907050 1.658802 BFGS: 767 09:37:35 41.654167 1.652299 BFGS: 768 09:37:35 41.402223 1.645810 BFGS: 769 09:37:35 41.151219 1.639335 BFGS: 770 09:37:35 40.901154 1.632874 BFGS: 771 09:37:35 40.652028 1.626427 BFGS: 772 09:37:35 40.403840 1.619994 BFGS: 773 09:37:35 40.156590 1.613574 BFGS: 774 09:37:35 39.910278 1.607167 BFGS: 775 09:37:35 39.664902 1.600774 BFGS: 776 09:37:36 39.420464 1.594394 BFGS: 777 09:37:36 39.176961 1.588027 BFGS: 778 09:37:36 38.934395 1.581673 BFGS: 779 09:37:36 38.692764 1.575332 BFGS: 780 09:37:36 38.452069 1.569003 BFGS: 781 09:37:36 38.212309 1.562688 BFGS: 782 09:37:36 37.973483 1.556385 BFGS: 783 09:37:36 37.735591 1.550094 BFGS: 784 09:37:36 37.498634 1.543816 BFGS: 785 09:37:36 37.262610 1.537550 BFGS: 786 09:37:36 37.027519 1.531296 BFGS: 787 09:37:36 36.793362 1.525055 BFGS: 788 09:37:36 36.560137 1.518825 BFGS: 789 09:37:36 36.327844 1.512607 BFGS: 790 09:37:36 36.096484 1.506402 BFGS: 791 09:37:36 35.866055 1.500208 BFGS: 792 09:37:36 35.636558 1.494026 BFGS: 793 09:37:36 35.407992 1.487855 BFGS: 794 09:37:36 35.180356 1.481696 BFGS: 795 09:37:36 34.953652 1.475548 BFGS: 796 09:37:36 34.727877 1.469412 BFGS: 797 09:37:36 34.503032 1.463287 BFGS: 798 09:37:36 34.279117 1.457174 BFGS: 799 09:37:36 34.056130 1.451072 BFGS: 800 09:37:36 33.834073 1.444980 BFGS: 801 09:37:36 33.612944 1.438900 BFGS: 802 09:37:36 33.392743 1.432831 BFGS: 803 09:37:36 33.173470 1.426773 BFGS: 804 09:37:36 32.955124 1.420726 BFGS: 805 09:37:36 32.737706 1.414689 BFGS: 806 09:37:36 32.521214 1.408663 BFGS: 807 09:37:36 32.305648 1.402648 BFGS: 808 09:37:36 32.091008 1.396644 BFGS: 809 09:37:36 31.877294 1.390650 BFGS: 810 09:37:36 31.664505 1.384667 BFGS: 811 09:37:36 31.452640 1.378694 BFGS: 812 09:37:36 31.241700 1.372732 BFGS: 813 09:37:36 31.031684 1.366780 BFGS: 814 09:37:37 30.822591 1.360839 BFGS: 815 09:37:37 30.614420 1.354908 BFGS: 816 09:37:37 30.407173 1.348987 BFGS: 817 09:37:37 30.200847 1.343077 BFGS: 818 09:37:37 29.995442 1.337176 BFGS: 819 09:37:37 29.790959 1.331286 BFGS: 820 09:37:37 29.587396 1.325406 BFGS: 821 09:37:38 29.384753 1.319536 BFGS: 822 09:37:38 29.183029 1.313676 BFGS: 823 09:37:38 28.982224 1.307826 BFGS: 824 09:37:38 28.782337 1.301986 BFGS: 825 09:37:38 28.583368 1.296156 BFGS: 826 09:37:38 28.385316 1.290336 BFGS: 827 09:37:38 28.188180 1.284525 BFGS: 828 09:37:38 27.991960 1.278725 BFGS: 829 09:37:38 27.796655 1.272934 BFGS: 830 09:37:38 27.602264 1.267154 BFGS: 831 09:37:38 27.408788 1.261383 BFGS: 832 09:37:39 27.216224 1.255621 BFGS: 833 09:37:39 27.024573 1.249870 BFGS: 834 09:37:39 26.833833 1.244128 BFGS: 835 09:37:39 26.644004 1.238396 BFGS: 836 09:37:39 26.455086 1.232673 BFGS: 837 09:37:39 26.267076 1.226960 BFGS: 838 09:37:39 26.079975 1.221257 BFGS: 839 09:37:39 25.893782 1.215563 BFGS: 840 09:37:40 25.708495 1.209879 BFGS: 841 09:37:40 25.524115 1.204204 BFGS: 842 09:37:40 25.340639 1.198539 BFGS: 843 09:37:40 25.158068 1.192884 BFGS: 844 09:37:40 24.976399 1.187237 BFGS: 845 09:37:41 24.795633 1.181601 BFGS: 846 09:37:41 24.615769 1.175974 BFGS: 847 09:37:41 24.436804 1.170356 BFGS: 848 09:37:41 24.258739 1.164748 BFGS: 849 09:37:41 24.081572 1.159149 BFGS: 850 09:37:41 23.905302 1.153560 BFGS: 851 09:37:41 23.729928 1.147980 BFGS: 852 09:37:41 23.555450 1.142409 BFGS: 853 09:37:41 23.381865 1.136848 BFGS: 854 09:37:41 23.209172 1.131296 BFGS: 855 09:37:41 23.037372 1.125754 BFGS: 856 09:37:41 22.866461 1.120221 BFGS: 857 09:37:42 22.696440 1.114697 BFGS: 858 09:37:42 22.527307 1.109183 BFGS: 859 09:37:42 22.359060 1.103678 BFGS: 860 09:37:42 22.191698 1.098182 BFGS: 861 09:37:42 22.025221 1.092696 BFGS: 862 09:37:42 21.859626 1.087219 BFGS: 863 09:37:43 21.694913 1.081752 BFGS: 864 09:37:43 21.531079 1.076293 BFGS: 865 09:37:43 21.368124 1.070844 BFGS: 866 09:37:43 21.206046 1.065405 BFGS: 867 09:37:43 21.044844 1.059975 BFGS: 868 09:37:43 20.884515 1.054554 BFGS: 869 09:37:43 20.725060 1.049142 BFGS: 870 09:37:43 20.566475 1.043740 BFGS: 871 09:37:44 20.408760 1.038347 BFGS: 872 09:37:44 20.251914 1.032964 BFGS: 873 09:37:44 20.095933 1.027589 BFGS: 874 09:37:44 19.940817 1.022225 BFGS: 875 09:37:44 19.786565 1.016869 BFGS: 876 09:37:44 19.633174 1.011523 BFGS: 877 09:37:44 19.480643 1.006186 BFGS: 878 09:37:45 19.328970 1.000859 BFGS: 879 09:37:45 19.178153 0.995541 BFGS: 880 09:37:45 19.028190 0.990232 BFGS: 881 09:37:45 18.879081 0.984932 BFGS: 882 09:37:45 18.730823 0.979642 BFGS: 883 09:37:45 18.583414 0.974362 BFGS: 884 09:37:45 18.436852 0.969091 BFGS: 885 09:37:45 18.291135 0.963829 BFGS: 886 09:37:45 18.146263 0.958576 BFGS: 887 09:37:46 18.002232 0.953333 BFGS: 888 09:37:46 17.859041 0.948099 BFGS: 889 09:37:46 17.716687 0.942875 BFGS: 890 09:37:46 17.575170 0.937660 BFGS: 891 09:37:46 17.434486 0.932455 BFGS: 892 09:37:46 17.294635 0.927259 BFGS: 893 09:37:46 17.155613 0.922072 BFGS: 894 09:37:46 17.017419 0.916895 BFGS: 895 09:37:46 16.880051 0.911728 BFGS: 896 09:37:46 16.743507 0.906569 BFGS: 897 09:37:46 16.607785 0.901421 BFGS: 898 09:37:46 16.472882 0.896281 BFGS: 899 09:37:47 16.338796 0.891152 BFGS: 900 09:37:47 16.205526 0.886031 BFGS: 901 09:37:47 16.073069 0.880921 BFGS: 902 09:37:47 15.941422 0.875819 BFGS: 903 09:37:47 15.810585 0.870727 BFGS: 904 09:37:47 15.680555 0.865645 BFGS: 905 09:37:47 15.551328 0.860572 BFGS: 906 09:37:47 15.422904 0.855509 BFGS: 907 09:37:47 15.295280 0.850455 BFGS: 908 09:37:47 15.168454 0.845411 BFGS: 909 09:37:47 15.042424 0.840377 BFGS: 910 09:37:48 14.917186 0.835352 BFGS: 911 09:37:48 14.792740 0.830336 BFGS: 912 09:37:48 14.669082 0.825330 BFGS: 913 09:37:48 14.546211 0.820334 BFGS: 914 09:37:48 14.424124 0.815347 BFGS: 915 09:37:48 14.302819 0.810370 BFGS: 916 09:37:49 14.182293 0.805402 BFGS: 917 09:37:49 14.062545 0.800444 BFGS: 918 09:37:49 13.943572 0.795496 BFGS: 919 09:37:49 13.825371 0.790557 BFGS: 920 09:37:49 13.707940 0.785628 BFGS: 921 09:37:50 13.591278 0.780708 BFGS: 922 09:37:50 13.475381 0.775798 BFGS: 923 09:37:50 13.360248 0.770898 BFGS: 924 09:37:50 13.245875 0.766007 BFGS: 925 09:37:50 13.132261 0.761126 BFGS: 926 09:37:50 13.019404 0.756254 BFGS: 927 09:37:51 12.907300 0.751393 BFGS: 928 09:37:51 12.795948 0.746540 BFGS: 929 09:37:51 12.685345 0.741698 BFGS: 930 09:37:51 12.575489 0.736865 BFGS: 931 09:37:51 12.466378 0.732042 BFGS: 932 09:37:51 12.358009 0.727228 BFGS: 933 09:37:51 12.250380 0.722424 BFGS: 934 09:37:52 12.143488 0.717630 BFGS: 935 09:37:52 12.037332 0.712845 BFGS: 936 09:37:52 11.931909 0.708070 BFGS: 937 09:37:52 11.827216 0.703305 BFGS: 938 09:37:52 11.723252 0.698549 BFGS: 939 09:37:52 11.620014 0.693803 BFGS: 940 09:37:53 11.517499 0.689066 BFGS: 941 09:37:53 11.415706 0.684339 BFGS: 942 09:37:53 11.314633 0.679622 BFGS: 943 09:37:53 11.214276 0.674914 BFGS: 944 09:37:53 11.114633 0.670216 BFGS: 945 09:37:53 11.015703 0.665528 BFGS: 946 09:37:53 10.917483 0.660849 BFGS: 947 09:37:54 10.819971 0.656180 BFGS: 948 09:37:54 10.723164 0.651521 BFGS: 949 09:37:54 10.627061 0.646871 BFGS: 950 09:37:54 10.531659 0.642231 BFGS: 951 09:37:54 10.436956 0.637600 BFGS: 952 09:37:54 10.342950 0.632979 BFGS: 953 09:37:54 10.249638 0.628367 BFGS: 954 09:37:55 10.157019 0.623765 BFGS: 955 09:37:55 10.065090 0.619173 BFGS: 956 09:37:55 9.973850 0.614590 BFGS: 957 09:37:55 9.883295 0.610017 BFGS: 958 09:37:55 9.793424 0.605453 BFGS: 959 09:37:55 9.704234 0.600899 BFGS: 960 09:37:55 9.615725 0.596354 BFGS: 961 09:37:55 9.527893 0.591819 BFGS: 962 09:37:56 9.440736 0.587294 BFGS: 963 09:37:56 9.354253 0.582777 BFGS: 964 09:37:56 9.268442 0.578271 BFGS: 965 09:37:56 9.183300 0.573774 BFGS: 966 09:37:56 9.098825 0.569286 BFGS: 967 09:37:56 9.015015 0.564808 BFGS: 968 09:37:56 8.931869 0.560339 BFGS: 969 09:37:56 8.849385 0.555879 BFGS: 970 09:37:57 8.767560 0.551429 BFGS: 971 09:37:57 8.686392 0.546988 BFGS: 972 09:37:57 8.605880 0.542557 BFGS: 973 09:37:57 8.526022 0.538135 BFGS: 974 09:37:57 8.446805 0.533975 BFGS: 975 09:37:58 8.368158 0.530128 BFGS: 976 09:37:58 8.290073 0.526294 BFGS: 977 09:37:58 8.212546 0.522495 BFGS: 978 09:37:58 8.135574 0.518746 BFGS: 979 09:37:58 8.059156 0.515009 BFGS: 980 09:37:59 7.983287 0.511283 BFGS: 981 09:37:59 7.907965 0.507569 BFGS: 982 09:37:59 7.833187 0.503866 BFGS: 983 09:37:59 7.758951 0.500174 BFGS: 984 09:37:59 7.685253 0.496493 BFGS: 985 09:38:00 7.612090 0.492823 BFGS: 986 09:38:00 7.539461 0.489163 BFGS: 987 09:38:00 7.467363 0.485515 BFGS: 988 09:38:00 7.395791 0.481907 BFGS: 989 09:38:00 7.324710 0.478690 BFGS: 990 09:38:00 7.254086 0.475689 BFGS: 991 09:38:00 7.183866 0.472903 BFGS: 992 09:38:00 7.114039 0.470126 BFGS: 993 09:38:00 7.044602 0.467358 BFGS: 994 09:38:01 6.975553 0.464599 BFGS: 995 09:38:01 6.906890 0.461848 BFGS: 996 09:38:01 6.838610 0.459106 BFGS: 997 09:38:01 6.770711 0.456372 BFGS: 998 09:38:01 6.703191 0.453647 BFGS: 999 09:38:01 6.636048 0.450930 BFGS: 1000 09:38:01 6.569280 0.448222 BFGS: 1001 09:38:02 6.502885 0.445521 BFGS: 1002 09:38:02 6.436860 0.442829 BFGS: 1003 09:38:02 6.371205 0.440145 BFGS: 1004 09:38:02 6.305916 0.437468 BFGS: 1005 09:38:02 6.240993 0.434799 BFGS: 1006 09:38:02 6.176433 0.432138 BFGS: 1007 09:38:03 6.112234 0.429485 BFGS: 1008 09:38:03 6.048395 0.426839 BFGS: 1009 09:38:03 5.984914 0.424201 BFGS: 1010 09:38:03 5.921789 0.421570 BFGS: 1011 09:38:04 5.859019 0.418946 BFGS: 1012 09:38:04 5.796602 0.416330 BFGS: 1013 09:38:04 5.734537 0.413720 BFGS: 1014 09:38:04 5.672822 0.411118 BFGS: 1015 09:38:04 5.611456 0.408522 BFGS: 1016 09:38:04 5.550437 0.405934 BFGS: 1017 09:38:04 5.489763 0.403352 BFGS: 1018 09:38:04 5.429435 0.400776 BFGS: 1019 09:38:05 5.369449 0.398208 BFGS: 1020 09:38:05 5.309806 0.395645 BFGS: 1021 09:38:05 5.250503 0.393090 BFGS: 1022 09:38:05 5.191540 0.390540 BFGS: 1023 09:38:06 5.132915 0.387997 BFGS: 1024 09:38:06 5.074628 0.385460 BFGS: 1025 09:38:06 5.016678 0.382929 BFGS: 1026 09:38:06 4.959063 0.380404 BFGS: 1027 09:38:06 4.901782 0.377885 BFGS: 1028 09:38:06 4.844835 0.375371 BFGS: 1029 09:38:06 4.788221 0.372864 BFGS: 1030 09:38:06 4.731938 0.370362 BFGS: 1031 09:38:06 4.675987 0.367866 BFGS: 1032 09:38:06 4.620367 0.365375 BFGS: 1033 09:38:07 4.565076 0.362889 BFGS: 1034 09:38:07 4.510114 0.360409 BFGS: 1035 09:38:07 4.455480 0.357935 BFGS: 1036 09:38:07 4.401175 0.355465 BFGS: 1037 09:38:07 4.347197 0.353001 BFGS: 1038 09:38:07 4.293545 0.350541 BFGS: 1039 09:38:07 4.240221 0.348095 BFGS: 1040 09:38:07 4.187222 0.345705 BFGS: 1041 09:38:07 4.134549 0.343322 BFGS: 1042 09:38:08 4.082201 0.340945 BFGS: 1043 09:38:08 4.030178 0.338575 BFGS: 1044 09:38:08 3.978480 0.336211 BFGS: 1045 09:38:08 3.927106 0.333854 BFGS: 1046 09:38:08 3.876056 0.331502 BFGS: 1047 09:38:08 3.825331 0.329157 BFGS: 1048 09:38:09 3.774930 0.326818 BFGS: 1049 09:38:09 3.724853 0.324485 BFGS: 1050 09:38:09 3.675099 0.322158 BFGS: 1051 09:38:09 3.625669 0.319836 BFGS: 1052 09:38:09 3.576564 0.317521 BFGS: 1053 09:38:10 3.527782 0.315211 BFGS: 1054 09:38:10 3.479324 0.312906 BFGS: 1055 09:38:10 3.431190 0.310607 BFGS: 1056 09:38:10 3.383380 0.308314 BFGS: 1057 09:38:10 3.335894 0.306026 BFGS: 1058 09:38:10 3.288733 0.303743 BFGS: 1059 09:38:11 3.241897 0.301465 BFGS: 1060 09:38:11 3.195386 0.299193 BFGS: 1061 09:38:11 3.149199 0.296925 BFGS: 1062 09:38:11 3.103339 0.294663 BFGS: 1063 09:38:12 3.057804 0.292405 BFGS: 1064 09:38:12 3.012595 0.290152 BFGS: 1065 09:38:12 2.967712 0.287904 BFGS: 1066 09:38:13 2.923157 0.285660 BFGS: 1067 09:38:13 2.878928 0.283421 BFGS: 1068 09:38:13 2.835027 0.281187 BFGS: 1069 09:38:13 2.791455 0.278956 BFGS: 1070 09:38:13 2.748210 0.276731 BFGS: 1071 09:38:14 2.705295 0.274509 BFGS: 1072 09:38:14 2.662709 0.272292 BFGS: 1073 09:38:14 2.620452 0.270078 BFGS: 1074 09:38:14 2.578527 0.267869 BFGS: 1075 09:38:15 2.536932 0.265664 BFGS: 1076 09:38:15 2.495668 0.263463 BFGS: 1077 09:38:15 2.454737 0.261265 BFGS: 1078 09:38:15 2.414138 0.259071 BFGS: 1079 09:38:16 2.373871 0.256881 BFGS: 1080 09:38:16 2.333939 0.254695 BFGS: 1081 09:38:16 2.294341 0.252512 BFGS: 1082 09:38:17 2.255077 0.250333 BFGS: 1083 09:38:17 2.216149 0.248157 BFGS: 1084 09:38:17 2.177556 0.245984 BFGS: 1085 09:38:17 2.139301 0.243815 BFGS: 1086 09:38:17 2.101382 0.241649 BFGS: 1087 09:38:17 2.063800 0.239486 BFGS: 1088 09:38:17 2.026557 0.237326 BFGS: 1089 09:38:17 1.989653 0.235169 BFGS: 1090 09:38:17 1.953088 0.233016 BFGS: 1091 09:38:17 1.916863 0.230865 BFGS: 1092 09:38:18 1.880979 0.228717 BFGS: 1093 09:38:18 1.845435 0.226572 BFGS: 1094 09:38:18 1.810234 0.224429 BFGS: 1095 09:38:18 1.775374 0.222290 BFGS: 1096 09:38:18 1.740857 0.220153 BFGS: 1097 09:38:18 1.706684 0.218018 BFGS: 1098 09:38:18 1.672854 0.215886 BFGS: 1099 09:38:18 1.639369 0.213757 BFGS: 1100 09:38:19 1.606228 0.211630 BFGS: 1101 09:38:19 1.573433 0.209506 BFGS: 1102 09:38:19 1.540983 0.207383 BFGS: 1103 09:38:20 1.508880 0.205264 BFGS: 1104 09:38:20 1.477124 0.203146 BFGS: 1105 09:38:20 1.445715 0.201030 BFGS: 1106 09:38:21 1.414653 0.198917 BFGS: 1107 09:38:21 1.383939 0.196806 BFGS: 1108 09:38:21 1.353574 0.194697 BFGS: 1109 09:38:21 1.323557 0.192590 BFGS: 1110 09:38:22 1.293890 0.190485 BFGS: 1111 09:38:22 1.264572 0.188382 BFGS: 1112 09:38:23 1.235604 0.186281 BFGS: 1113 09:38:23 1.206986 0.184181 BFGS: 1114 09:38:24 1.178718 0.182084 BFGS: 1115 09:38:24 1.150800 0.179988 BFGS: 1116 09:38:25 1.123234 0.177895 BFGS: 1117 09:38:25 1.096018 0.175802 BFGS: 1118 09:38:26 1.069154 0.173712 BFGS: 1119 09:38:26 1.042641 0.171623 BFGS: 1120 09:38:26 1.016479 0.169536 BFGS: 1121 09:38:26 0.990669 0.167451 BFGS: 1122 09:38:27 0.965210 0.165367 BFGS: 1123 09:38:27 0.940104 0.163285 BFGS: 1124 09:38:27 0.915349 0.161204 BFGS: 1125 09:38:27 0.890945 0.159125 BFGS: 1126 09:38:27 0.866893 0.157047 BFGS: 1127 09:38:27 0.843193 0.154971 BFGS: 1128 09:38:28 0.819845 0.152896 BFGS: 1129 09:38:28 0.796848 0.150823 BFGS: 1130 09:38:28 0.774202 0.148751 BFGS: 1131 09:38:29 0.751907 0.146680 BFGS: 1132 09:38:29 0.729963 0.144611 BFGS: 1133 09:38:29 0.708370 0.142543 BFGS: 1134 09:38:29 0.687127 0.140477 BFGS: 1135 09:38:30 0.666234 0.138411 BFGS: 1136 09:38:31 0.645692 0.136347 BFGS: 1137 09:38:31 0.625498 0.134285 BFGS: 1138 09:38:31 0.605654 0.132223 BFGS: 1139 09:38:31 0.586158 0.130163 BFGS: 1140 09:38:31 0.567011 0.128104 BFGS: 1141 09:38:32 0.548211 0.126047 BFGS: 1142 09:38:32 0.529759 0.123990 BFGS: 1143 09:38:32 0.511653 0.121935 BFGS: 1144 09:38:32 0.493894 0.119881 BFGS: 1145 09:38:33 0.476480 0.117828 BFGS: 1146 09:38:33 0.459411 0.115777 BFGS: 1147 09:38:34 0.442687 0.113726 BFGS: 1148 09:38:34 0.426306 0.111677 BFGS: 1149 09:38:34 0.410268 0.109629 BFGS: 1150 09:38:34 0.394572 0.107582 BFGS: 1151 09:38:35 0.379217 0.105536 BFGS: 1152 09:38:35 0.364203 0.103492 BFGS: 1153 09:38:35 0.349529 0.101448 BFGS: 1154 09:38:36 0.335193 0.099406 BFGS: 1155 09:38:36 0.321195 0.097364 BFGS: 1156 09:38:36 0.307535 0.095324 BFGS: 1157 09:38:36 0.294210 0.093285 BFGS: 1158 09:38:36 0.281220 0.091247 BFGS: 1159 09:38:36 0.268564 0.089211 BFGS: 1160 09:38:37 0.256241 0.087175 BFGS: 1161 09:38:37 0.244250 0.085140 BFGS: 1162 09:38:37 0.232589 0.083107 BFGS: 1163 09:38:38 0.221257 0.081074 BFGS: 1164 09:38:38 0.210254 0.079043 BFGS: 1165 09:38:38 0.199578 0.077012 BFGS: 1166 09:38:38 0.189228 0.074983 BFGS: 1167 09:38:39 0.179201 0.072955 BFGS: 1168 09:38:39 0.169498 0.070928 BFGS: 1169 09:38:39 0.160117 0.068901 BFGS: 1170 09:38:39 0.151055 0.066876 BFGS: 1171 09:38:39 0.142312 0.064852 BFGS: 1172 09:38:39 0.133887 0.062828 BFGS: 1173 09:38:40 0.125777 0.060806 BFGS: 1174 09:38:40 0.117981 0.058785 BFGS: 1175 09:38:40 0.110497 0.056764 BFGS: 1176 09:38:40 0.103324 0.054744 BFGS: 1177 09:38:41 0.096460 0.052726 BFGS: 1178 09:38:42 0.089903 0.050708 BFGS: 1179 09:38:42 0.083651 0.048690 BFGS: 1180 09:38:42 0.077702 0.046674 BFGS: 1181 09:38:43 0.072054 0.044658 BFGS: 1182 09:38:43 0.066684 0.042662 BFGS: 1183 09:38:43 0.061551 0.040677 BFGS: 1184 09:38:43 0.056652 0.038693 BFGS: 1185 09:38:43 0.051986 0.036712 BFGS: 1186 09:38:43 0.047553 0.034733 BFGS: 1187 09:38:44 0.043352 0.033663 BFGS: 1188 09:38:44 0.039381 0.033540 BFGS: 1189 09:38:44 0.035641 0.033393 BFGS: 1190 09:38:44 0.032130 0.033219 BFGS: 1191 09:38:44 0.028847 0.033016 BFGS: 1192 09:38:45 0.025791 0.032782 BFGS: 1193 09:38:45 0.022961 0.032515 BFGS: 1194 09:38:45 0.020356 0.032211 BFGS: 1195 09:38:45 0.017975 0.031868 BFGS: 1196 09:38:45 0.015815 0.031481 BFGS: 1197 09:38:45 0.013876 0.031046 BFGS: 1198 09:38:45 0.012156 0.030555 BFGS: 1199 09:38:46 0.010652 0.030002 BFGS: 1200 09:38:46 0.009360 0.029375 BFGS: 1201 09:38:46 0.008279 0.028660 BFGS: 1202 09:38:46 0.007381 0.027545 BFGS: 1203 09:38:47 0.006567 0.025978 BFGS: 1204 09:38:47 0.005800 0.024352 BFGS: 1205 09:38:48 0.005082 0.022728 BFGS: 1206 09:38:48 0.004411 0.021107 BFGS: 1207 09:38:48 0.003789 0.019487 BFGS: 1208 09:38:48 0.003215 0.017870 BFGS: 1209 09:38:48 0.002689 0.016255 BFGS: 1210 09:38:48 0.002211 0.014642 BFGS: 1211 09:38:48 0.001780 0.013032 BFGS: 1212 09:38:49 0.001397 0.011425 BFGS: 1213 09:38:49 0.001061 0.009821 BFGS: 1214 09:38:49 0.000772 0.008221 BFGS: 1215 09:38:49 0.000531 0.006624 BFGS: 1216 09:38:49 0.000335 0.005032 BFGS: 1217 09:38:50 0.000187 0.003446 BFGS: 1218 09:38:50 0.000084 0.001866 BFGS: 1219 09:38:50 0.000027 0.000640 BFGS: 1220 09:38:50 0.000009 0.000491 BFGS: 1221 09:38:50 0.000001 0.000328 BFGS: 1222 09:38:50 0.000000 0.000111 BFGS: 1223 09:38:50 0.000000 0.000037 BFGS: 1224 09:38:51 -0.000000 0.000000 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.