element(s): ['Si'] AFLOW prototype label: A_hP58_164_2d3i3j Parameter names: ['a', 'c/a', 'z1', 'z2', 'x3', 'z3', 'x4', 'z4', 'x5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['10.017', '1.6093441', '0.42717347', '0.57149774', '0.13353688', '0.49951896', '0.20865981', '0.62176631', '0.20852652', '0.37695719', '0.38057577', '0.3795477', '0.29513767', '0.00061200299', '0.24460663', '0.17356382', '0.33353138', '0.4211924', '0.058121322'] model name: Sim_LAMMPS_Vashishta_VashishtaKaliaNakano_2007_SiC__SM_196548226654_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0.33333333 0.66666667 0.42717347] [0.33333333 0.66666667 0.57149774] [0.13353688 0.86646312 0.49951896] [0.20865981 0.79134019 0.62176631] [0.20852652 0.79147348 0.37695719] [0.6204523 0.00102807 0.29513767] [0.75539337 0.75600537 0.17356382] [0.5788076 0.91233898 0.05812132]] spacegroup = 164 cell = [[10.017, 0, 0], [-5.0085, 8.6749764697087, 0], [0, 0, 16.1208]] ========================================= Step Time Energy fmax BFGS: 0 16:30:22 924.525160 18.866351 BFGS: 1 16:30:22 921.295556 18.790455 BFGS: 2 16:30:22 918.109850 18.715032 BFGS: 3 16:30:22 914.964746 18.644543 BFGS: 4 16:30:22 911.856214 18.574623 BFGS: 5 16:30:22 908.781060 18.505020 BFGS: 6 16:30:22 905.736695 18.435713 BFGS: 7 16:30:22 902.720908 18.366731 BFGS: 8 16:30:22 899.731500 18.298174 BFGS: 9 16:30:23 896.766627 18.229965 BFGS: 10 16:30:23 893.824708 18.162104 BFGS: 11 16:30:23 890.904153 18.094657 BFGS: 12 16:30:23 888.003243 18.027621 BFGS: 13 16:30:23 885.120656 17.960863 BFGS: 14 16:30:23 882.255705 17.894261 BFGS: 15 16:30:23 879.407725 17.827938 BFGS: 16 16:30:24 876.576138 17.761851 BFGS: 17 16:30:25 873.760115 17.695960 BFGS: 18 16:30:25 870.959003 17.630224 BFGS: 19 16:30:25 868.172372 17.564645 BFGS: 20 16:30:25 865.399829 17.499223 BFGS: 21 16:30:26 862.641015 17.433959 BFGS: 22 16:30:26 859.895581 17.369070 BFGS: 23 16:30:26 857.163031 17.304419 BFGS: 24 16:30:26 854.442911 17.240499 BFGS: 25 16:30:27 851.734761 17.176891 BFGS: 26 16:30:27 849.038333 17.113449 BFGS: 27 16:30:27 846.353431 17.050171 BFGS: 28 16:30:27 843.679875 16.987539 BFGS: 29 16:30:27 841.017494 16.927008 BFGS: 30 16:30:27 838.366117 16.866777 BFGS: 31 16:30:27 835.727033 16.806857 BFGS: 32 16:30:28 833.100573 16.747143 BFGS: 33 16:30:28 830.486576 16.687695 BFGS: 34 16:30:28 827.884869 16.628840 BFGS: 35 16:30:28 825.295357 16.570445 BFGS: 36 16:30:28 822.717922 16.512370 BFGS: 37 16:30:28 820.152415 16.454600 BFGS: 38 16:30:28 817.598591 16.397008 BFGS: 39 16:30:28 815.056312 16.339593 BFGS: 40 16:30:29 812.525447 16.282354 BFGS: 41 16:30:29 810.005870 16.225289 BFGS: 42 16:30:29 807.497461 16.168397 BFGS: 43 16:30:29 805.000103 16.111676 BFGS: 44 16:30:29 802.513685 16.055125 BFGS: 45 16:30:29 800.038097 15.998743 BFGS: 46 16:30:30 797.573237 15.942528 BFGS: 47 16:30:30 795.119001 15.886478 BFGS: 48 16:30:30 792.675291 15.830595 BFGS: 49 16:30:30 790.241977 15.774883 BFGS: 50 16:30:30 787.818913 15.719330 BFGS: 51 16:30:30 785.405985 15.664058 BFGS: 52 16:30:31 783.003006 15.609003 BFGS: 53 16:30:31 780.609841 15.554093 BFGS: 54 16:30:31 778.226384 15.499328 BFGS: 55 16:30:31 775.852532 15.444706 BFGS: 56 16:30:31 773.488186 15.390229 BFGS: 57 16:30:31 771.133248 15.335894 BFGS: 58 16:30:31 768.787625 15.281701 BFGS: 59 16:30:31 766.451219 15.227736 BFGS: 60 16:30:31 764.123897 15.173943 BFGS: 61 16:30:31 761.805554 15.120281 BFGS: 62 16:30:31 759.496101 15.066752 BFGS: 63 16:30:31 757.195440 15.013354 BFGS: 64 16:30:32 754.903211 14.960249 BFGS: 65 16:30:32 752.619233 14.907267 BFGS: 66 16:30:32 750.343417 14.854605 BFGS: 67 16:30:32 748.075743 14.802255 BFGS: 68 16:30:32 745.816095 14.750283 BFGS: 69 16:30:32 743.564395 14.698444 BFGS: 70 16:30:32 741.320571 14.646891 BFGS: 71 16:30:33 739.084491 14.595685 BFGS: 72 16:30:33 736.856054 14.544603 BFGS: 73 16:30:33 734.635179 14.493644 BFGS: 74 16:30:33 732.421783 14.442808 BFGS: 75 16:30:33 730.215784 14.392094 BFGS: 76 16:30:33 728.017102 14.341500 BFGS: 77 16:30:33 725.825653 14.291027 BFGS: 78 16:30:33 723.641357 14.240672 BFGS: 79 16:30:33 721.464130 14.190435 BFGS: 80 16:30:34 719.293889 14.140315 BFGS: 81 16:30:34 717.130546 14.090441 BFGS: 82 16:30:34 714.974004 14.040773 BFGS: 83 16:30:34 712.824177 13.991214 BFGS: 84 16:30:34 710.680978 13.941762 BFGS: 85 16:30:34 708.544320 13.892417 BFGS: 86 16:30:34 706.414117 13.843177 BFGS: 87 16:30:34 704.290283 13.794041 BFGS: 88 16:30:35 702.172724 13.745213 BFGS: 89 16:30:35 700.061317 13.696681 BFGS: 90 16:30:35 697.955969 13.648257 BFGS: 91 16:30:35 695.856607 13.600007 BFGS: 92 16:30:35 693.763146 13.552025 BFGS: 93 16:30:35 691.675524 13.504147 BFGS: 94 16:30:35 689.593667 13.456371 BFGS: 95 16:30:36 687.517501 13.408696 BFGS: 96 16:30:36 685.446941 13.361567 BFGS: 97 16:30:36 683.381927 13.314897 BFGS: 98 16:30:36 681.322436 13.268514 BFGS: 99 16:30:36 679.268294 13.222685 BFGS: 100 16:30:36 677.219306 13.177014 BFGS: 101 16:30:36 675.175364 13.131448 BFGS: 102 16:30:36 673.136374 13.086212 BFGS: 103 16:30:37 671.102333 13.041117 BFGS: 104 16:30:37 669.073162 12.996318 BFGS: 105 16:30:37 667.048843 12.951616 BFGS: 106 16:30:37 665.029306 12.907234 BFGS: 107 16:30:37 663.014529 12.863132 BFGS: 108 16:30:37 661.004514 12.819134 BFGS: 109 16:30:38 658.999211 12.775238 BFGS: 110 16:30:38 656.998569 12.731636 BFGS: 111 16:30:38 655.002436 12.688325 BFGS: 112 16:30:38 653.010709 12.645209 BFGS: 113 16:30:38 651.023077 12.602216 BFGS: 114 16:30:38 649.039449 12.559331 BFGS: 115 16:30:38 647.059825 12.516820 BFGS: 116 16:30:38 645.084238 12.474490 BFGS: 117 16:30:38 643.112732 12.432300 BFGS: 118 16:30:38 641.145297 12.390766 BFGS: 119 16:30:38 639.182021 12.349416 BFGS: 120 16:30:38 637.222662 12.308270 BFGS: 121 16:30:38 635.266991 12.267188 BFGS: 122 16:30:39 633.315077 12.226172 BFGS: 123 16:30:39 631.367004 12.185223 BFGS: 124 16:30:39 629.422871 12.144343 BFGS: 125 16:30:39 627.482787 12.103532 BFGS: 126 16:30:39 625.546810 12.063182 BFGS: 127 16:30:39 623.614993 12.022988 BFGS: 128 16:30:39 621.687196 11.982911 BFGS: 129 16:30:39 619.763431 11.942923 BFGS: 130 16:30:39 617.843857 11.902997 BFGS: 131 16:30:39 615.928626 11.863135 BFGS: 132 16:30:40 614.017902 11.823341 BFGS: 133 16:30:40 612.111730 11.784715 BFGS: 134 16:30:40 610.210113 11.746413 BFGS: 135 16:30:40 608.313227 11.708205 BFGS: 136 16:30:40 606.421277 11.670324 BFGS: 137 16:30:40 604.534486 11.632708 BFGS: 138 16:30:40 602.653074 11.595183 BFGS: 139 16:30:40 600.777234 11.557748 BFGS: 140 16:30:40 598.907162 11.520405 BFGS: 141 16:30:40 597.043060 11.483154 BFGS: 142 16:30:40 595.185127 11.445996 BFGS: 143 16:30:40 593.333567 11.408931 BFGS: 144 16:30:40 591.488579 11.371959 BFGS: 145 16:30:41 589.650361 11.335082 BFGS: 146 16:30:41 587.819095 11.298397 BFGS: 147 16:30:41 585.994921 11.261861 BFGS: 148 16:30:41 584.178006 11.225420 BFGS: 149 16:30:41 582.368525 11.189075 BFGS: 150 16:30:41 580.566639 11.152825 BFGS: 151 16:30:41 578.772503 11.116669 BFGS: 152 16:30:41 576.986257 11.080606 BFGS: 153 16:30:41 575.208029 11.044636 BFGS: 154 16:30:41 573.437935 11.008827 BFGS: 155 16:30:41 571.676022 10.973690 BFGS: 156 16:30:41 569.922131 10.939063 BFGS: 157 16:30:41 568.176294 10.904589 BFGS: 158 16:30:41 566.438586 10.870231 BFGS: 159 16:30:41 564.708927 10.836678 BFGS: 160 16:30:41 562.987207 10.803213 BFGS: 161 16:30:42 561.273389 10.770224 BFGS: 162 16:30:42 559.567201 10.737394 BFGS: 163 16:30:42 557.868551 10.704635 BFGS: 164 16:30:42 556.177445 10.671945 BFGS: 165 16:30:42 554.493882 10.639321 BFGS: 166 16:30:42 552.817829 10.606771 BFGS: 167 16:30:42 551.148821 10.574484 BFGS: 168 16:30:42 549.486305 10.542534 BFGS: 169 16:30:42 547.830309 10.510835 BFGS: 170 16:30:42 546.180727 10.479464 BFGS: 171 16:30:42 544.537327 10.448133 BFGS: 172 16:30:42 542.900061 10.416913 BFGS: 173 16:30:42 541.268534 10.385827 BFGS: 174 16:30:42 539.642470 10.354774 BFGS: 175 16:30:42 538.021842 10.323754 BFGS: 176 16:30:42 536.406626 10.292762 BFGS: 177 16:30:42 534.796756 10.262180 BFGS: 178 16:30:42 533.192072 10.231664 BFGS: 179 16:30:42 531.592473 10.201403 BFGS: 180 16:30:42 529.997388 10.171494 BFGS: 181 16:30:42 528.406326 10.141732 BFGS: 182 16:30:43 526.819188 10.111983 BFGS: 183 16:30:43 525.235951 10.082268 BFGS: 184 16:30:43 523.656421 10.052558 BFGS: 185 16:30:43 522.080674 10.022851 BFGS: 186 16:30:43 520.508797 9.993148 BFGS: 187 16:30:43 518.940882 9.963448 BFGS: 188 16:30:43 517.377034 9.933752 BFGS: 189 16:30:43 515.817365 9.904058 BFGS: 190 16:30:43 514.261995 9.874369 BFGS: 191 16:30:43 512.711055 9.844688 BFGS: 192 16:30:43 511.164695 9.815041 BFGS: 193 16:30:43 509.623027 9.785401 BFGS: 194 16:30:43 508.086206 9.755767 BFGS: 195 16:30:44 506.554395 9.726140 BFGS: 196 16:30:44 505.027742 9.696657 BFGS: 197 16:30:44 503.506298 9.667218 BFGS: 198 16:30:44 501.990222 9.637791 BFGS: 199 16:30:44 500.479702 9.608380 BFGS: 200 16:30:44 498.974928 9.578985 BFGS: 201 16:30:44 497.476089 9.549610 BFGS: 202 16:30:44 495.983375 9.520257 BFGS: 203 16:30:44 494.496972 9.490929 BFGS: 204 16:30:44 493.017055 9.461880 BFGS: 205 16:30:44 491.543753 9.433129 BFGS: 206 16:30:44 490.077252 9.404402 BFGS: 207 16:30:44 488.617725 9.375701 BFGS: 208 16:30:44 487.165337 9.347031 BFGS: 209 16:30:45 485.720242 9.318393 BFGS: 210 16:30:45 484.282588 9.289790 BFGS: 211 16:30:45 482.852508 9.261226 BFGS: 212 16:30:45 481.430127 9.232703 BFGS: 213 16:30:45 480.015556 9.204223 BFGS: 214 16:30:45 478.608885 9.175962 BFGS: 215 16:30:45 477.210202 9.147766 BFGS: 216 16:30:45 475.819583 9.119619 BFGS: 217 16:30:45 474.436929 9.091943 BFGS: 218 16:30:45 473.061720 9.064532 BFGS: 219 16:30:45 471.693931 9.037282 BFGS: 220 16:30:45 470.333610 9.010067 BFGS: 221 16:30:45 468.980759 8.983325 BFGS: 222 16:30:45 467.635303 8.956805 BFGS: 223 16:30:45 466.297253 8.930329 BFGS: 224 16:30:45 464.966620 8.903900 BFGS: 225 16:30:45 463.643405 8.877518 BFGS: 226 16:30:45 462.327601 8.851234 BFGS: 227 16:30:45 461.019216 8.825459 BFGS: 228 16:30:46 459.718187 8.799758 BFGS: 229 16:30:46 458.424480 8.774107 BFGS: 230 16:30:46 457.138057 8.748507 BFGS: 231 16:30:46 455.858873 8.722958 BFGS: 232 16:30:46 454.586878 8.697460 BFGS: 233 16:30:46 453.322016 8.672013 BFGS: 234 16:30:46 452.064229 8.646616 BFGS: 235 16:30:46 450.813445 8.621444 BFGS: 236 16:30:46 449.569517 8.596767 BFGS: 237 16:30:46 448.332311 8.572315 BFGS: 238 16:30:46 447.101757 8.547914 BFGS: 239 16:30:46 445.877782 8.523647 BFGS: 240 16:30:46 444.660254 8.499722 BFGS: 241 16:30:46 443.449064 8.475840 BFGS: 242 16:30:46 442.244142 8.452057 BFGS: 243 16:30:46 441.045424 8.428473 BFGS: 244 16:30:46 439.852787 8.405078 BFGS: 245 16:30:46 438.666128 8.382020 BFGS: 246 16:30:46 437.485316 8.359039 BFGS: 247 16:30:46 436.310279 8.336097 BFGS: 248 16:30:46 435.140948 8.313192 BFGS: 249 16:30:46 433.977252 8.290323 BFGS: 250 16:30:46 432.819104 8.267545 BFGS: 251 16:30:46 431.666372 8.244826 BFGS: 252 16:30:46 430.518980 8.222140 BFGS: 253 16:30:47 429.376859 8.199503 BFGS: 254 16:30:47 428.239910 8.176908 BFGS: 255 16:30:47 427.108030 8.154344 BFGS: 256 16:30:47 425.981151 8.131812 BFGS: 257 16:30:47 424.859087 8.109616 BFGS: 258 16:30:47 423.741516 8.087543 BFGS: 259 16:30:47 422.628371 8.065648 BFGS: 260 16:30:47 421.519609 8.043780 BFGS: 261 16:30:47 420.415170 8.021938 BFGS: 262 16:30:47 419.314970 8.000461 BFGS: 263 16:30:47 418.218958 7.979085 BFGS: 264 16:30:47 417.127081 7.957763 BFGS: 265 16:30:47 416.039288 7.936464 BFGS: 266 16:30:47 414.955524 7.915187 BFGS: 267 16:30:47 413.875740 7.893933 BFGS: 268 16:30:47 412.799880 7.872811 BFGS: 269 16:30:47 411.727909 7.851798 BFGS: 270 16:30:47 410.659794 7.830805 BFGS: 271 16:30:47 409.595485 7.809831 BFGS: 272 16:30:47 408.534866 7.789079 BFGS: 273 16:30:47 407.477721 7.768530 BFGS: 274 16:30:47 406.424002 7.748014 BFGS: 275 16:30:47 405.373666 7.727521 BFGS: 276 16:30:47 404.326668 7.707048 BFGS: 277 16:30:47 403.282960 7.686595 BFGS: 278 16:30:47 402.242494 7.666162 BFGS: 279 16:30:47 401.205221 7.645747 BFGS: 280 16:30:47 400.171090 7.625350 BFGS: 281 16:30:47 399.140045 7.605068 BFGS: 282 16:30:47 398.111920 7.585178 BFGS: 283 16:30:47 397.086583 7.565298 BFGS: 284 16:30:47 396.063977 7.545428 BFGS: 285 16:30:47 395.044045 7.525567 BFGS: 286 16:30:47 394.026728 7.505713 BFGS: 287 16:30:47 393.011962 7.485865 BFGS: 288 16:30:47 391.999613 7.466048 BFGS: 289 16:30:47 390.989193 7.446245 BFGS: 290 16:30:47 389.980532 7.426443 BFGS: 291 16:30:47 388.973535 7.406642 BFGS: 292 16:30:47 387.968103 7.386839 BFGS: 293 16:30:47 386.964136 7.367031 BFGS: 294 16:30:47 385.961528 7.347215 BFGS: 295 16:30:47 384.960170 7.327389 BFGS: 296 16:30:47 383.959949 7.307548 BFGS: 297 16:30:47 382.960736 7.287822 BFGS: 298 16:30:48 381.962306 7.268220 BFGS: 299 16:30:48 380.964503 7.248600 BFGS: 300 16:30:48 379.967208 7.228958 BFGS: 301 16:30:48 378.970302 7.209289 BFGS: 302 16:30:48 377.973671 7.189588 BFGS: 303 16:30:48 376.977203 7.169850 BFGS: 304 16:30:48 375.980791 7.150071 BFGS: 305 16:30:48 374.984300 7.130602 BFGS: 306 16:30:48 373.987535 7.111163 BFGS: 307 16:30:48 372.990419 7.091669 BFGS: 308 16:30:48 371.992887 7.072117 BFGS: 309 16:30:48 370.994769 7.052521 BFGS: 310 16:30:48 369.996020 7.032892 BFGS: 311 16:30:48 368.996681 7.013193 BFGS: 312 16:30:48 367.996847 6.993644 BFGS: 313 16:30:48 366.996648 6.974079 BFGS: 314 16:30:48 365.996098 6.954616 BFGS: 315 16:30:48 364.995119 6.935417 BFGS: 316 16:30:48 363.993682 6.916151 BFGS: 317 16:30:48 362.991788 6.897102 BFGS: 318 16:30:48 361.989510 6.877978 BFGS: 319 16:30:48 360.986896 6.858780 BFGS: 320 16:30:48 359.983988 6.839622 BFGS: 321 16:30:48 358.980825 6.820542 BFGS: 322 16:30:48 357.977462 6.801388 BFGS: 323 16:30:48 356.973954 6.782163 BFGS: 324 16:30:48 355.970361 6.762866 BFGS: 325 16:30:48 354.966746 6.743501 BFGS: 326 16:30:48 353.963176 6.724069 BFGS: 327 16:30:48 352.959721 6.704572 BFGS: 328 16:30:48 351.956458 6.685013 BFGS: 329 16:30:48 350.953464 6.665393 BFGS: 330 16:30:48 349.950823 6.645716 BFGS: 331 16:30:48 348.948620 6.625984 BFGS: 332 16:30:48 347.946938 6.606214 BFGS: 333 16:30:48 346.945783 6.586412 BFGS: 334 16:30:48 345.945207 6.566562 BFGS: 335 16:30:48 344.945309 6.546668 BFGS: 336 16:30:48 343.946191 6.526733 BFGS: 337 16:30:48 342.947960 6.506760 BFGS: 338 16:30:48 341.950721 6.486752 BFGS: 339 16:30:48 340.954587 6.466713 BFGS: 340 16:30:48 339.959667 6.446645 BFGS: 341 16:30:48 338.966080 6.426712 BFGS: 342 16:30:48 337.974144 6.406994 BFGS: 343 16:30:48 336.984106 6.387255 BFGS: 344 16:30:48 335.996085 6.367498 BFGS: 345 16:30:48 335.010201 6.347724 BFGS: 346 16:30:48 334.026575 6.327939 BFGS: 347 16:30:48 333.045323 6.308174 BFGS: 348 16:30:48 332.066534 6.288440 BFGS: 349 16:30:48 331.090328 6.268701 BFGS: 350 16:30:48 330.116818 6.248959 BFGS: 351 16:30:48 329.146118 6.229218 BFGS: 352 16:30:48 328.178342 6.209481 BFGS: 353 16:30:48 327.213599 6.189749 BFGS: 354 16:30:48 326.251994 6.170173 BFGS: 355 16:30:48 325.293623 6.150665 BFGS: 356 16:30:48 324.338595 6.131170 BFGS: 357 16:30:48 323.387012 6.111692 BFGS: 358 16:30:48 322.438976 6.092232 BFGS: 359 16:30:48 321.494586 6.072792 BFGS: 360 16:30:48 320.553937 6.053375 BFGS: 361 16:30:48 319.617123 6.033983 BFGS: 362 16:30:48 318.684235 6.014616 BFGS: 363 16:30:48 317.755359 5.995279 BFGS: 364 16:30:48 316.830580 5.975971 BFGS: 365 16:30:48 315.909979 5.956695 BFGS: 366 16:30:48 314.993633 5.937453 BFGS: 367 16:30:48 314.081617 5.918245 BFGS: 368 16:30:48 313.174000 5.899074 BFGS: 369 16:30:48 312.270862 5.879982 BFGS: 370 16:30:48 311.372296 5.860961 BFGS: 371 16:30:48 310.478341 5.841979 BFGS: 372 16:30:48 309.589051 5.823035 BFGS: 373 16:30:48 308.704476 5.804133 BFGS: 374 16:30:48 307.824650 5.785506 BFGS: 375 16:30:48 306.949573 5.766978 BFGS: 376 16:30:48 306.079284 5.748492 BFGS: 377 16:30:48 305.213763 5.730498 BFGS: 378 16:30:48 304.352913 5.712818 BFGS: 379 16:30:48 303.496681 5.695229 BFGS: 380 16:30:48 302.645093 5.677681 BFGS: 381 16:30:49 301.798175 5.660176 BFGS: 382 16:30:49 300.955951 5.642714 BFGS: 383 16:30:49 300.118439 5.625296 BFGS: 384 16:30:49 299.285657 5.607920 BFGS: 385 16:30:49 298.457569 5.590711 BFGS: 386 16:30:49 297.634101 5.573560 BFGS: 387 16:30:49 296.815261 5.556449 BFGS: 388 16:30:49 296.001056 5.539380 BFGS: 389 16:30:49 295.191492 5.522353 BFGS: 390 16:30:49 294.386572 5.505367 BFGS: 391 16:30:49 293.586295 5.488423 BFGS: 392 16:30:49 292.790659 5.471521 BFGS: 393 16:30:49 291.999658 5.454660 BFGS: 394 16:30:49 291.213283 5.437926 BFGS: 395 16:30:49 290.431297 5.421823 BFGS: 396 16:30:49 289.653265 5.405891 BFGS: 397 16:30:49 288.879165 5.389996 BFGS: 398 16:30:49 288.108987 5.374139 BFGS: 399 16:30:49 287.342724 5.358320 BFGS: 400 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98.009712 2.359627 BFGS: 860 16:30:54 97.787682 2.366617 BFGS: 861 16:30:54 97.565940 2.373419 BFGS: 862 16:30:54 97.344495 2.380025 BFGS: 863 16:30:54 97.123352 2.386429 BFGS: 864 16:30:54 96.902454 2.392624 BFGS: 865 16:30:54 96.681677 2.398624 BFGS: 866 16:30:54 96.461043 2.404429 BFGS: 867 16:30:54 96.240562 2.410034 BFGS: 868 16:30:54 96.020241 2.415430 BFGS: 869 16:30:54 95.800088 2.420612 BFGS: 870 16:30:54 95.580108 2.425572 BFGS: 871 16:30:54 95.360307 2.430302 BFGS: 872 16:30:54 95.140688 2.434794 BFGS: 873 16:30:54 94.921282 2.439041 BFGS: 874 16:30:54 94.702773 2.443049 BFGS: 875 16:30:54 94.485238 2.446866 BFGS: 876 16:30:54 94.268664 2.450473 BFGS: 877 16:30:54 94.053037 2.453853 BFGS: 878 16:30:54 93.838337 2.456989 BFGS: 879 16:30:54 93.624543 2.459863 BFGS: 880 16:30:54 93.411630 2.462459 BFGS: 881 16:30:54 93.199566 2.464761 BFGS: 882 16:30:54 92.988319 2.466754 BFGS: 883 16:30:54 92.777848 2.468422 BFGS: 884 16:30:54 92.568109 2.469748 BFGS: 885 16:30:55 92.359257 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0.405416 BFGS: 1861 16:31:06 7.318509 0.404907 BFGS: 1862 16:31:06 7.289584 0.404313 BFGS: 1863 16:31:06 7.260891 0.403635 BFGS: 1864 16:31:06 7.232421 0.402879 BFGS: 1865 16:31:06 7.204170 0.402045 BFGS: 1866 16:31:06 7.176129 0.401139 BFGS: 1867 16:31:06 7.148293 0.400161 BFGS: 1868 16:31:06 7.120657 0.399115 BFGS: 1869 16:31:06 7.093214 0.398002 BFGS: 1870 16:31:06 7.065961 0.396826 BFGS: 1871 16:31:06 7.038892 0.395587 BFGS: 1872 16:31:06 7.012003 0.394288 BFGS: 1873 16:31:06 6.985289 0.392930 BFGS: 1874 16:31:06 6.958747 0.391516 BFGS: 1875 16:31:06 6.932372 0.390046 BFGS: 1876 16:31:06 6.906162 0.388523 BFGS: 1877 16:31:06 6.880113 0.386947 BFGS: 1878 16:31:06 6.854215 0.385320 BFGS: 1879 16:31:06 6.828442 0.383624 BFGS: 1880 16:31:06 6.802812 0.381834 BFGS: 1881 16:31:06 6.777320 0.379963 BFGS: 1882 16:31:06 6.751961 0.378018 BFGS: 1883 16:31:06 6.726730 0.376007 BFGS: 1884 16:31:06 6.701623 0.373937 BFGS: 1885 16:31:06 6.676636 0.371813 BFGS: 1886 16:31:06 6.651765 0.369640 BFGS: 1887 16:31:06 6.627007 0.367421 BFGS: 1888 16:31:06 6.602358 0.366002 BFGS: 1889 16:31:06 6.577815 0.364663 BFGS: 1890 16:31:06 6.553376 0.363310 BFGS: 1891 16:31:06 6.529037 0.361942 BFGS: 1892 16:31:06 6.504796 0.360560 BFGS: 1893 16:31:06 6.480651 0.359164 BFGS: 1894 16:31:06 6.456599 0.357754 BFGS: 1895 16:31:06 6.432638 0.356332 BFGS: 1896 16:31:06 6.408766 0.354896 BFGS: 1897 16:31:06 6.384981 0.353448 BFGS: 1898 16:31:06 6.361280 0.351987 BFGS: 1899 16:31:06 6.337662 0.350514 BFGS: 1900 16:31:06 6.314126 0.349029 BFGS: 1901 16:31:06 6.290668 0.347533 BFGS: 1902 16:31:06 6.267289 0.346025 BFGS: 1903 16:31:06 6.243986 0.344505 BFGS: 1904 16:31:06 6.220758 0.342975 BFGS: 1905 16:31:06 6.197603 0.341434 BFGS: 1906 16:31:06 6.174520 0.339882 BFGS: 1907 16:31:06 6.151508 0.338320 BFGS: 1908 16:31:06 6.128565 0.336747 BFGS: 1909 16:31:06 6.105690 0.335165 BFGS: 1910 16:31:06 6.082882 0.333572 BFGS: 1911 16:31:06 6.060140 0.331970 BFGS: 1912 16:31:06 6.037463 0.330358 BFGS: 1913 16:31:06 6.014850 0.328736 BFGS: 1914 16:31:06 5.992300 0.327106 BFGS: 1915 16:31:06 5.969811 0.325466 BFGS: 1916 16:31:06 5.947384 0.323817 BFGS: 1917 16:31:06 5.925016 0.322160 BFGS: 1918 16:31:06 5.902708 0.320494 BFGS: 1919 16:31:06 5.880458 0.318819 BFGS: 1920 16:31:06 5.858265 0.317136 BFGS: 1921 16:31:06 5.836130 0.315445 BFGS: 1922 16:31:06 5.814050 0.313746 BFGS: 1923 16:31:06 5.792026 0.312038 BFGS: 1924 16:31:06 5.770056 0.310323 BFGS: 1925 16:31:06 5.748141 0.308601 BFGS: 1926 16:31:06 5.726279 0.306870 BFGS: 1927 16:31:07 5.704470 0.305133 BFGS: 1928 16:31:07 5.682713 0.303388 BFGS: 1929 16:31:07 5.661007 0.301636 BFGS: 1930 16:31:07 5.639353 0.299877 BFGS: 1931 16:31:07 5.617749 0.298111 BFGS: 1932 16:31:07 5.596196 0.296339 BFGS: 1933 16:31:07 5.574691 0.294560 BFGS: 1934 16:31:07 5.553236 0.292774 BFGS: 1935 16:31:07 5.531829 0.290982 BFGS: 1936 16:31:07 5.510471 0.289184 BFGS: 1937 16:31:07 5.489160 0.287380 BFGS: 1938 16:31:07 5.467896 0.285570 BFGS: 1939 16:31:07 5.446679 0.283754 BFGS: 1940 16:31:07 5.425508 0.281932 BFGS: 1941 16:31:07 5.404383 0.280105 BFGS: 1942 16:31:07 5.383304 0.278273 BFGS: 1943 16:31:07 5.362270 0.276435 BFGS: 1944 16:31:07 5.341281 0.274592 BFGS: 1945 16:31:07 5.320337 0.272744 BFGS: 1946 16:31:07 5.299436 0.270891 BFGS: 1947 16:31:07 5.278579 0.269034 BFGS: 1948 16:31:07 5.257766 0.267172 BFGS: 1949 16:31:07 5.236996 0.265305 BFGS: 1950 16:31:07 5.216269 0.263434 BFGS: 1951 16:31:07 5.195584 0.261559 BFGS: 1952 16:31:07 5.174941 0.259680 BFGS: 1953 16:31:07 5.154340 0.257797 BFGS: 1954 16:31:07 5.133781 0.255911 BFGS: 1955 16:31:07 5.113263 0.254020 BFGS: 1956 16:31:07 5.092785 0.252127 BFGS: 1957 16:31:07 5.072349 0.250230 BFGS: 1958 16:31:07 5.052016 0.248330 BFGS: 1959 16:31:07 5.031817 0.246312 BFGS: 1960 16:31:07 5.011626 0.244130 BFGS: 1961 16:31:07 4.991449 0.241825 BFGS: 1962 16:31:07 4.971291 0.239423 BFGS: 1963 16:31:07 4.951153 0.236944 BFGS: 1964 16:31:07 4.931039 0.234398 BFGS: 1965 16:31:07 4.910947 0.232733 BFGS: 1966 16:31:07 4.890878 0.234576 BFGS: 1967 16:31:07 4.870830 0.236445 BFGS: 1968 16:31:07 4.850804 0.238341 BFGS: 1969 16:31:07 4.830796 0.240263 BFGS: 1970 16:31:07 4.810808 0.242212 BFGS: 1971 16:31:07 4.790836 0.244187 BFGS: 1972 16:31:07 4.770881 0.246188 BFGS: 1973 16:31:07 4.750941 0.248213 BFGS: 1974 16:31:07 4.731016 0.250262 BFGS: 1975 16:31:07 4.711104 0.252335 BFGS: 1976 16:31:07 4.691205 0.254430 BFGS: 1977 16:31:07 4.671320 0.256546 BFGS: 1978 16:31:07 4.651446 0.258683 BFGS: 1979 16:31:07 4.631584 0.260839 BFGS: 1980 16:31:07 4.611734 0.263015 BFGS: 1981 16:31:07 4.591895 0.265208 BFGS: 1982 16:31:07 4.572067 0.267418 BFGS: 1983 16:31:07 4.552250 0.269644 BFGS: 1984 16:31:07 4.532444 0.271886 BFGS: 1985 16:31:07 4.512649 0.274142 BFGS: 1986 16:31:07 4.492865 0.276413 BFGS: 1987 16:31:07 4.473092 0.278695 BFGS: 1988 16:31:07 4.453329 0.280991 BFGS: 1989 16:31:07 4.433577 0.283297 BFGS: 1990 16:31:07 4.413836 0.285614 BFGS: 1991 16:31:07 4.394105 0.287940 BFGS: 1992 16:31:07 4.374385 0.290276 BFGS: 1993 16:31:07 4.354676 0.292620 BFGS: 1994 16:31:07 4.334976 0.294971 BFGS: 1995 16:31:07 4.315287 0.297329 BFGS: 1996 16:31:07 4.295625 0.299694 BFGS: 1997 16:31:07 4.275976 0.302027 BFGS: 1998 16:31:07 4.256317 0.304315 BFGS: 1999 16:31:07 4.236644 0.306553 BFGS: 2000 16:31:07 4.216954 0.308740 BFGS: 2001 16:31:07 4.197244 0.310877 BFGS: 2002 16:31:07 4.177516 0.312964 BFGS: 2003 16:31:07 4.157768 0.315003 BFGS: 2004 16:31:07 4.138003 0.316995 BFGS: 2005 16:31:07 4.118221 0.318942 BFGS: 2006 16:31:07 4.098424 0.320847 BFGS: 2007 16:31:07 4.078613 0.322710 BFGS: 2008 16:31:07 4.058789 0.324533 BFGS: 2009 16:31:07 4.038954 0.326319 BFGS: 2010 16:31:07 4.019109 0.328069 BFGS: 2011 16:31:07 3.999256 0.329785 BFGS: 2012 16:31:07 3.979396 0.331467 BFGS: 2013 16:31:07 3.959530 0.333117 BFGS: 2014 16:31:07 3.939659 0.334737 BFGS: 2015 16:31:08 3.919784 0.336328 BFGS: 2016 16:31:08 3.899907 0.337890 BFGS: 2017 16:31:08 3.880027 0.339425 BFGS: 2018 16:31:08 3.860145 0.340933 BFGS: 2019 16:31:08 3.840262 0.342415 BFGS: 2020 16:31:08 3.820378 0.343872 BFGS: 2021 16:31:08 3.800489 0.345305 BFGS: 2022 16:31:08 3.780572 0.346696 BFGS: 2023 16:31:08 3.760650 0.348023 BFGS: 2024 16:31:08 3.740735 0.349300 BFGS: 2025 16:31:08 3.720835 0.350535 BFGS: 2026 16:31:08 3.700959 0.351733 BFGS: 2027 16:31:08 3.681111 0.352902 BFGS: 2028 16:31:08 3.661295 0.354043 BFGS: 2029 16:31:08 3.641516 0.355160 BFGS: 2030 16:31:08 3.621775 0.356256 BFGS: 2031 16:31:08 3.602076 0.357332 BFGS: 2032 16:31:08 3.582419 0.358389 BFGS: 2033 16:31:08 3.562807 0.359429 BFGS: 2034 16:31:08 3.543240 0.360452 BFGS: 2035 16:31:08 3.523718 0.361460 BFGS: 2036 16:31:08 3.504244 0.362453 BFGS: 2037 16:31:08 3.484816 0.363432 BFGS: 2038 16:31:08 3.465437 0.364396 BFGS: 2039 16:31:08 3.446104 0.365347 BFGS: 2040 16:31:08 3.426820 0.366285 BFGS: 2041 16:31:08 3.407583 0.367210 BFGS: 2042 16:31:08 3.388394 0.368122 BFGS: 2043 16:31:08 3.369251 0.369021 BFGS: 2044 16:31:08 3.350151 0.369908 BFGS: 2045 16:31:08 3.331110 0.370784 BFGS: 2046 16:31:08 3.312124 0.371648 BFGS: 2047 16:31:08 3.293187 0.372500 BFGS: 2048 16:31:08 3.274232 0.373338 BFGS: 2049 16:31:08 3.255301 0.374133 BFGS: 2050 16:31:08 3.236435 0.374815 BFGS: 2051 16:31:08 3.217633 0.375402 BFGS: 2052 16:31:08 3.198894 0.375908 BFGS: 2053 16:31:08 3.180216 0.376345 BFGS: 2054 16:31:08 3.161598 0.376723 BFGS: 2055 16:31:08 3.143038 0.377050 BFGS: 2056 16:31:08 3.124532 0.377334 BFGS: 2057 16:31:08 3.106079 0.377582 BFGS: 2058 16:31:08 3.087677 0.377798 BFGS: 2059 16:31:08 3.069323 0.377987 BFGS: 2060 16:31:08 3.051016 0.378154 BFGS: 2061 16:31:08 3.032754 0.378302 BFGS: 2062 16:31:08 3.014535 0.378434 BFGS: 2063 16:31:08 2.996358 0.378554 BFGS: 2064 16:31:08 2.978220 0.378663 BFGS: 2065 16:31:08 2.960121 0.378765 BFGS: 2066 16:31:08 2.942059 0.378861 BFGS: 2067 16:31:08 2.924033 0.378953 BFGS: 2068 16:31:08 2.906041 0.379042 BFGS: 2069 16:31:08 2.888090 0.379130 BFGS: 2070 16:31:08 2.870368 0.379192 BFGS: 2071 16:31:08 2.852994 0.379231 BFGS: 2072 16:31:08 2.835916 0.379256 BFGS: 2073 16:31:08 2.819105 0.379257 BFGS: 2074 16:31:08 2.802535 0.379229 BFGS: 2075 16:31:08 2.786187 0.379169 BFGS: 2076 16:31:08 2.770042 0.379075 BFGS: 2077 16:31:08 2.754085 0.378946 BFGS: 2078 16:31:08 2.738300 0.378783 BFGS: 2079 16:31:08 2.722673 0.378587 BFGS: 2080 16:31:08 2.707189 0.378359 BFGS: 2081 16:31:08 2.691833 0.378102 BFGS: 2082 16:31:08 2.676590 0.377817 BFGS: 2083 16:31:08 2.661443 0.377507 BFGS: 2084 16:31:08 2.646376 0.377174 BFGS: 2085 16:31:08 2.631370 0.376820 BFGS: 2086 16:31:08 2.616406 0.376448 BFGS: 2087 16:31:08 2.601462 0.376061 BFGS: 2088 16:31:08 2.586517 0.375661 BFGS: 2089 16:31:08 2.571546 0.375252 BFGS: 2090 16:31:08 2.556523 0.374835 BFGS: 2091 16:31:08 2.541417 0.374415 BFGS: 2092 16:31:08 2.526199 0.373993 BFGS: 2093 16:31:08 2.510833 0.373574 BFGS: 2094 16:31:08 2.495282 0.373160 BFGS: 2095 16:31:08 2.479505 0.372756 BFGS: 2096 16:31:08 2.463456 0.372366 BFGS: 2097 16:31:08 2.447085 0.371994 BFGS: 2098 16:31:08 2.430337 0.371646 BFGS: 2099 16:31:08 2.413150 0.371326 BFGS: 2100 16:31:08 2.395455 0.371041 BFGS: 2101 16:31:08 2.377177 0.370799 BFGS: 2102 16:31:08 2.358228 0.370607 BFGS: 2103 16:31:09 2.338510 0.370476 BFGS: 2104 16:31:09 2.317911 0.370418 BFGS: 2105 16:31:09 2.296302 0.370447 BFGS: 2106 16:31:09 2.273531 0.370580 BFGS: 2107 16:31:09 2.249419 0.370838 BFGS: 2108 16:31:09 2.223751 0.371251 BFGS: 2109 16:31:09 2.196262 0.371854 BFGS: 2110 16:31:09 2.166617 0.372696 BFGS: 2111 16:31:09 2.134381 0.373847 BFGS: 2112 16:31:09 2.098960 0.375410 BFGS: 2113 16:31:09 2.059494 0.377547 BFGS: 2114 16:31:09 2.014624 0.380545 BFGS: 2115 16:31:09 1.969258 0.384312 BFGS: 2116 16:31:09 1.926122 0.388868 BFGS: 2117 16:31:09 1.888738 0.394479 BFGS: 2118 16:31:09 1.860696 0.400187 BFGS: 2119 16:31:09 1.837869 0.403868 BFGS: 2120 16:31:09 1.816481 0.406836 BFGS: 2121 16:31:09 1.796023 0.409390 BFGS: 2122 16:31:09 1.776388 0.411633 BFGS: 2123 16:31:09 1.757520 0.413607 BFGS: 2124 16:31:09 1.739369 0.415337 BFGS: 2125 16:31:09 1.721992 0.416878 BFGS: 2126 16:31:09 1.704988 0.418512 BFGS: 2127 16:31:09 1.688340 0.420209 BFGS: 2128 16:31:09 1.672019 0.421956 BFGS: 2129 16:31:09 1.655979 0.423746 BFGS: 2130 16:31:09 1.640136 0.425579 BFGS: 2131 16:31:09 1.624338 0.427460 BFGS: 2132 16:31:09 1.608269 0.429404 BFGS: 2133 16:31:09 1.591173 0.431459 BFGS: 2134 16:31:09 1.570602 0.433841 BFGS: 2135 16:31:09 1.555264 0.433748 BFGS: 2136 16:31:09 1.540446 0.432483 BFGS: 2137 16:31:09 1.528338 0.431077 BFGS: 2138 16:31:09 1.517259 0.429507 BFGS: 2139 16:31:09 1.506713 0.427897 BFGS: 2140 16:31:09 1.496584 0.426287 BFGS: 2141 16:31:09 1.486831 0.424694 BFGS: 2142 16:31:09 1.477430 0.423126 BFGS: 2143 16:31:09 1.468363 0.421589 BFGS: 2144 16:31:09 1.459614 0.420085 BFGS: 2145 16:31:09 1.451167 0.418616 BFGS: 2146 16:31:09 1.443007 0.417184 BFGS: 2147 16:31:09 1.435121 0.415793 BFGS: 2148 16:31:09 1.427494 0.414443 BFGS: 2149 16:31:09 1.420112 0.413137 BFGS: 2150 16:31:09 1.412962 0.411878 BFGS: 2151 16:31:09 1.406031 0.410667 BFGS: 2152 16:31:09 1.399308 0.409507 BFGS: 2153 16:31:09 1.392779 0.408399 BFGS: 2154 16:31:09 1.386433 0.407348 BFGS: 2155 16:31:09 1.380258 0.406354 BFGS: 2156 16:31:09 1.374244 0.405420 BFGS: 2157 16:31:09 1.368378 0.404549 BFGS: 2158 16:31:09 1.362650 0.403743 BFGS: 2159 16:31:09 1.357049 0.403005 BFGS: 2160 16:31:09 1.351565 0.402337 BFGS: 2161 16:31:09 1.346187 0.401741 BFGS: 2162 16:31:09 1.340906 0.401220 BFGS: 2163 16:31:09 1.335712 0.400777 BFGS: 2164 16:31:09 1.330595 0.400414 BFGS: 2165 16:31:09 1.325546 0.400133 BFGS: 2166 16:31:09 1.320556 0.399937 BFGS: 2167 16:31:09 1.315616 0.399829 BFGS: 2168 16:31:09 1.310718 0.399811 BFGS: 2169 16:31:09 1.305852 0.399885 BFGS: 2170 16:31:09 1.301012 0.400054 BFGS: 2171 16:31:09 1.296189 0.400321 BFGS: 2172 16:31:09 1.291375 0.400688 BFGS: 2173 16:31:09 1.286564 0.401158 BFGS: 2174 16:31:09 1.281749 0.401732 BFGS: 2175 16:31:09 1.276923 0.402414 BFGS: 2176 16:31:09 1.272079 0.403207 BFGS: 2177 16:31:09 1.267211 0.404112 BFGS: 2178 16:31:09 1.262314 0.405133 BFGS: 2179 16:31:09 1.257382 0.406272 BFGS: 2180 16:31:09 1.252409 0.407532 BFGS: 2181 16:31:09 1.247391 0.408916 BFGS: 2182 16:31:09 1.242322 0.410427 BFGS: 2183 16:31:09 1.237198 0.412067 BFGS: 2184 16:31:09 1.232015 0.413839 BFGS: 2185 16:31:09 1.226768 0.415748 BFGS: 2186 16:31:09 1.221453 0.417796 BFGS: 2187 16:31:09 1.216066 0.419988 BFGS: 2188 16:31:09 1.210604 0.422326 BFGS: 2189 16:31:09 1.205063 0.424815 BFGS: 2190 16:31:10 1.199439 0.427460 BFGS: 2191 16:31:10 1.193728 0.430265 BFGS: 2192 16:31:10 1.187929 0.433235 BFGS: 2193 16:31:10 1.182036 0.436375 BFGS: 2194 16:31:10 1.176046 0.439692 BFGS: 2195 16:31:10 1.169957 0.443192 BFGS: 2196 16:31:10 1.163764 0.446883 BFGS: 2197 16:31:10 1.157463 0.450773 BFGS: 2198 16:31:10 1.151050 0.454869 BFGS: 2199 16:31:10 1.144519 0.459172 BFGS: 2200 16:31:10 1.137895 0.463645 BFGS: 2201 16:31:10 1.131178 0.468303 BFGS: 2202 16:31:10 1.124362 0.473159 BFGS: 2203 16:31:10 1.117444 0.478231 BFGS: 2204 16:31:10 1.110415 0.483540 BFGS: 2205 16:31:10 1.103266 0.489110 BFGS: 2206 16:31:10 1.095982 0.494970 BFGS: 2207 16:31:10 1.088461 0.501148 BFGS: 2208 16:31:10 1.080708 0.507534 BFGS: 2209 16:31:10 1.072749 0.514082 BFGS: 2210 16:31:10 1.064556 0.520758 BFGS: 2211 16:31:10 1.056319 0.527392 BFGS: 2212 16:31:10 1.048026 0.533972 BFGS: 2213 16:31:10 1.039652 0.540487 BFGS: 2214 16:31:10 1.031153 0.546922 BFGS: 2215 16:31:10 1.022455 0.553256 BFGS: 2216 16:31:10 1.013437 0.559457 BFGS: 2217 16:31:10 1.003879 0.565466 BFGS: 2218 16:31:10 0.993535 0.571075 BFGS: 2219 16:31:10 0.982339 0.575678 BFGS: 2220 16:31:10 0.971814 0.579239 BFGS: 2221 16:31:10 0.961714 0.581415 BFGS: 2222 16:31:10 0.951476 0.581852 BFGS: 2223 16:31:10 0.941649 0.581028 BFGS: 2224 16:31:10 0.932076 0.579041 BFGS: 2225 16:31:10 0.922551 0.575869 BFGS: 2226 16:31:10 0.912926 0.571468 BFGS: 2227 16:31:10 0.903120 0.565785 BFGS: 2228 16:31:10 0.893473 0.558922 BFGS: 2229 16:31:10 0.884091 0.551063 BFGS: 2230 16:31:10 0.874864 0.542332 BFGS: 2231 16:31:10 0.865714 0.532863 BFGS: 2232 16:31:10 0.856591 0.522796 BFGS: 2233 16:31:10 0.847465 0.512267 BFGS: 2234 16:31:10 0.838326 0.501401 BFGS: 2235 16:31:10 0.829176 0.490312 BFGS: 2236 16:31:10 0.820023 0.479097 BFGS: 2237 16:31:10 0.810883 0.467841 BFGS: 2238 16:31:10 0.801772 0.456614 BFGS: 2239 16:31:10 0.792705 0.445473 BFGS: 2240 16:31:10 0.783703 0.434480 BFGS: 2241 16:31:10 0.774911 0.423856 BFGS: 2242 16:31:10 0.766360 0.413645 BFGS: 2243 16:31:10 0.758027 0.403824 BFGS: 2244 16:31:10 0.749892 0.394372 BFGS: 2245 16:31:10 0.741939 0.385267 BFGS: 2246 16:31:10 0.734154 0.376490 BFGS: 2247 16:31:10 0.726523 0.368020 BFGS: 2248 16:31:10 0.719034 0.359839 BFGS: 2249 16:31:10 0.711677 0.351928 BFGS: 2250 16:31:10 0.704443 0.344268 BFGS: 2251 16:31:10 0.697323 0.336845 BFGS: 2252 16:31:10 0.690308 0.329641 BFGS: 2253 16:31:10 0.683392 0.322642 BFGS: 2254 16:31:10 0.676567 0.315834 BFGS: 2255 16:31:10 0.669827 0.309205 BFGS: 2256 16:31:10 0.663166 0.302741 BFGS: 2257 16:31:10 0.656578 0.296432 BFGS: 2258 16:31:10 0.650057 0.290267 BFGS: 2259 16:31:10 0.643600 0.284236 BFGS: 2260 16:31:10 0.637201 0.278330 BFGS: 2261 16:31:10 0.630856 0.272541 BFGS: 2262 16:31:10 0.624561 0.266861 BFGS: 2263 16:31:10 0.618313 0.261281 BFGS: 2264 16:31:10 0.612106 0.255796 BFGS: 2265 16:31:10 0.605939 0.250398 BFGS: 2266 16:31:10 0.599808 0.245082 BFGS: 2267 16:31:10 0.593710 0.239842 BFGS: 2268 16:31:10 0.587642 0.234673 BFGS: 2269 16:31:10 0.581601 0.229570 BFGS: 2270 16:31:10 0.575585 0.224527 BFGS: 2271 16:31:10 0.569592 0.219542 BFGS: 2272 16:31:10 0.563619 0.216612 BFGS: 2273 16:31:10 0.557663 0.217410 BFGS: 2274 16:31:10 0.551724 0.218107 BFGS: 2275 16:31:10 0.545799 0.218704 BFGS: 2276 16:31:10 0.539886 0.219207 BFGS: 2277 16:31:11 0.533983 0.219618 BFGS: 2278 16:31:11 0.528089 0.219940 BFGS: 2279 16:31:11 0.522201 0.220175 BFGS: 2280 16:31:11 0.516317 0.220306 BFGS: 2281 16:31:11 0.510561 0.220188 BFGS: 2282 16:31:11 0.504907 0.219869 BFGS: 2283 16:31:11 0.499402 0.219394 BFGS: 2284 16:31:11 0.493981 0.218846 BFGS: 2285 16:31:11 0.488625 0.218134 BFGS: 2286 16:31:11 0.483324 0.217231 BFGS: 2287 16:31:11 0.478074 0.216134 BFGS: 2288 16:31:11 0.472872 0.214847 BFGS: 2289 16:31:11 0.467718 0.213380 BFGS: 2290 16:31:11 0.462710 0.211801 BFGS: 2291 16:31:11 0.457903 0.210133 BFGS: 2292 16:31:11 0.453240 0.208342 BFGS: 2293 16:31:11 0.448688 0.206421 BFGS: 2294 16:31:11 0.444226 0.204373 BFGS: 2295 16:31:11 0.439841 0.202205 BFGS: 2296 16:31:11 0.435525 0.199929 BFGS: 2297 16:31:11 0.431270 0.197555 BFGS: 2298 16:31:11 0.427071 0.195093 BFGS: 2299 16:31:11 0.422925 0.192553 BFGS: 2300 16:31:11 0.418828 0.189945 BFGS: 2301 16:31:11 0.414779 0.187277 BFGS: 2302 16:31:11 0.410775 0.184557 BFGS: 2303 16:31:11 0.406815 0.181793 BFGS: 2304 16:31:11 0.402896 0.178992 BFGS: 2305 16:31:11 0.399016 0.176159 BFGS: 2306 16:31:11 0.395175 0.173300 BFGS: 2307 16:31:11 0.391371 0.170422 BFGS: 2308 16:31:11 0.387601 0.167528 BFGS: 2309 16:31:11 0.383865 0.164623 BFGS: 2310 16:31:11 0.380161 0.161712 BFGS: 2311 16:31:11 0.376488 0.158798 BFGS: 2312 16:31:11 0.372843 0.155884 BFGS: 2313 16:31:11 0.369226 0.152974 BFGS: 2314 16:31:11 0.365634 0.150070 BFGS: 2315 16:31:11 0.362067 0.147174 BFGS: 2316 16:31:11 0.358522 0.144290 BFGS: 2317 16:31:11 0.354998 0.141417 BFGS: 2318 16:31:11 0.351493 0.138559 BFGS: 2319 16:31:11 0.348007 0.135717 BFGS: 2320 16:31:11 0.344536 0.132891 BFGS: 2321 16:31:11 0.341081 0.130974 BFGS: 2322 16:31:11 0.337639 0.132086 BFGS: 2323 16:31:11 0.334209 0.133167 BFGS: 2324 16:31:11 0.330789 0.134216 BFGS: 2325 16:31:11 0.327378 0.135234 BFGS: 2326 16:31:11 0.323976 0.136221 BFGS: 2327 16:31:11 0.320579 0.137177 BFGS: 2328 16:31:11 0.317188 0.138103 BFGS: 2329 16:31:11 0.313801 0.138998 BFGS: 2330 16:31:11 0.310407 0.139862 BFGS: 2331 16:31:11 0.307238 0.140711 BFGS: 2332 16:31:11 0.303982 0.141490 BFGS: 2333 16:31:11 0.300654 0.142202 BFGS: 2334 16:31:11 0.297258 0.142852 BFGS: 2335 16:31:11 0.293798 0.143443 BFGS: 2336 16:31:11 0.290279 0.143977 BFGS: 2337 16:31:11 0.286704 0.144459 BFGS: 2338 16:31:11 0.283079 0.144891 BFGS: 2339 16:31:11 0.279407 0.144945 BFGS: 2340 16:31:11 0.275729 0.144890 BFGS: 2341 16:31:11 0.272026 0.144814 BFGS: 2342 16:31:11 0.268641 0.144719 BFGS: 2343 16:31:11 0.264845 0.144518 BFGS: 2344 16:31:11 0.261050 0.144180 BFGS: 2345 16:31:11 0.257226 0.143793 BFGS: 2346 16:31:11 0.253355 0.143389 BFGS: 2347 16:31:11 0.249421 0.142971 BFGS: 2348 16:31:11 0.245412 0.142532 BFGS: 2349 16:31:11 0.241311 0.142058 BFGS: 2350 16:31:11 0.237106 0.141533 BFGS: 2351 16:31:11 0.232779 0.140941 BFGS: 2352 16:31:11 0.228317 0.140264 BFGS: 2353 16:31:11 0.223702 0.139484 BFGS: 2354 16:31:11 0.218922 0.138583 BFGS: 2355 16:31:11 0.213962 0.137336 BFGS: 2356 16:31:11 0.208979 0.135653 BFGS: 2357 16:31:11 0.204086 0.133913 BFGS: 2358 16:31:11 0.199081 0.132041 BFGS: 2359 16:31:11 0.193983 0.130014 BFGS: 2360 16:31:11 0.188776 0.127803 BFGS: 2361 16:31:11 0.183452 0.125381 BFGS: 2362 16:31:11 0.178001 0.122717 BFGS: 2363 16:31:11 0.172364 0.119732 BFGS: 2364 16:31:11 0.166506 0.116326 BFGS: 2365 16:31:11 0.160984 0.112579 BFGS: 2366 16:31:12 0.155746 0.108502 BFGS: 2367 16:31:12 0.150530 0.104055 BFGS: 2368 16:31:12 0.145212 0.099198 BFGS: 2369 16:31:12 0.139743 0.094378 BFGS: 2370 16:31:12 0.134418 0.089783 BFGS: 2371 16:31:12 0.129320 0.085404 BFGS: 2372 16:31:12 0.124444 0.081189 BFGS: 2373 16:31:12 0.119715 0.077040 BFGS: 2374 16:31:12 0.115169 0.072906 BFGS: 2375 16:31:12 0.110906 0.068792 BFGS: 2376 16:31:12 0.107462 0.064630 BFGS: 2377 16:31:12 0.104483 0.060439 BFGS: 2378 16:31:12 0.101829 0.057795 BFGS: 2379 16:31:12 0.099424 0.057457 BFGS: 2380 16:31:12 0.097217 0.057036 BFGS: 2381 16:31:12 0.095185 0.056547 BFGS: 2382 16:31:12 0.093202 0.056099 BFGS: 2383 16:31:12 0.090987 0.055774 BFGS: 2384 16:31:12 0.088891 0.057250 BFGS: 2385 16:31:12 0.086951 0.058533 BFGS: 2386 16:31:12 0.085143 0.059619 BFGS: 2387 16:31:12 0.083437 0.060522 BFGS: 2388 16:31:12 0.081802 0.061255 BFGS: 2389 16:31:12 0.080220 0.061834 BFGS: 2390 16:31:12 0.078770 0.062213 BFGS: 2391 16:31:12 0.077304 0.062100 BFGS: 2392 16:31:12 0.075660 0.061714 BFGS: 2393 16:31:12 0.073781 0.061070 BFGS: 2394 16:31:12 0.071630 0.060165 BFGS: 2395 16:31:12 0.069205 0.058992 BFGS: 2396 16:31:12 0.066484 0.057554 BFGS: 2397 16:31:12 0.063460 0.055806 BFGS: 2398 16:31:12 0.060120 0.053708 BFGS: 2399 16:31:12 0.056494 0.053910 BFGS: 2400 16:31:12 0.052603 0.059395 BFGS: 2401 16:31:12 0.048459 0.065291 BFGS: 2402 16:31:12 0.044080 0.071626 BFGS: 2403 16:31:12 0.039486 0.077927 BFGS: 2404 16:31:12 0.034607 0.078080 BFGS: 2405 16:31:12 0.029520 0.077493 BFGS: 2406 16:31:12 0.025791 0.078062 BFGS: 2407 16:31:12 0.022489 0.078904 BFGS: 2408 16:31:12 0.018433 0.077668 BFGS: 2409 16:31:12 0.012562 0.071404 BFGS: 2410 16:31:12 0.010145 0.046971 BFGS: 2411 16:31:12 0.009142 0.039420 BFGS: 2412 16:31:12 0.007964 0.032024 BFGS: 2413 16:31:12 0.007034 0.026519 BFGS: 2414 16:31:12 0.006313 0.025652 BFGS: 2415 16:31:12 0.005760 0.024700 BFGS: 2416 16:31:12 0.005371 0.025718 BFGS: 2417 16:31:12 0.005147 0.028799 BFGS: 2418 16:31:12 0.004963 0.031303 BFGS: 2419 16:31:12 0.004768 0.032419 BFGS: 2420 16:31:12 0.004549 0.032604 BFGS: 2421 16:31:12 0.004313 0.032056 BFGS: 2422 16:31:12 0.004070 0.030889 BFGS: 2423 16:31:12 0.003834 0.029179 BFGS: 2424 16:31:12 0.003612 0.026982 BFGS: 2425 16:31:12 0.003402 0.024335 BFGS: 2426 16:31:12 0.003213 0.021838 BFGS: 2427 16:31:12 0.003041 0.020393 BFGS: 2428 16:31:12 0.002872 0.019607 BFGS: 2429 16:31:12 0.002704 0.018822 BFGS: 2430 16:31:12 0.002535 0.018049 BFGS: 2431 16:31:12 0.002365 0.017291 BFGS: 2432 16:31:12 0.002196 0.016550 BFGS: 2433 16:31:12 0.002028 0.015826 BFGS: 2434 16:31:12 0.001864 0.015112 BFGS: 2435 16:31:12 0.001709 0.014408 BFGS: 2436 16:31:12 0.001562 0.013733 BFGS: 2437 16:31:12 0.001422 0.013081 BFGS: 2438 16:31:12 0.001289 0.012448 BFGS: 2439 16:31:12 0.001163 0.011828 BFGS: 2440 16:31:12 0.001043 0.011217 BFGS: 2441 16:31:12 0.000929 0.010613 BFGS: 2442 16:31:12 0.000821 0.010011 BFGS: 2443 16:31:12 0.000720 0.009410 BFGS: 2444 16:31:12 0.000624 0.008808 BFGS: 2445 16:31:12 0.000535 0.008205 BFGS: 2446 16:31:12 0.000453 0.007597 BFGS: 2447 16:31:12 0.000376 0.006986 BFGS: 2448 16:31:12 0.000307 0.006349 BFGS: 2449 16:31:12 0.000244 0.005688 BFGS: 2450 16:31:12 0.000189 0.005021 BFGS: 2451 16:31:12 0.000141 0.004349 BFGS: 2452 16:31:12 0.000100 0.003671 BFGS: 2453 16:31:12 0.000065 0.002988 BFGS: 2454 16:31:13 0.000038 0.002298 BFGS: 2455 16:31:13 0.000019 0.001601 BFGS: 2456 16:31:13 0.000006 0.000897 BFGS: 2457 16:31:13 0.000000 0.000183 BFGS: 2458 16:31:13 0.000000 0.000023 BFGS: 2459 16:31:13 0.000000 0.000011 BFGS: 2460 16:31:13 0.000000 0.000001 BFGS: 2461 16:31:13 0.000000 0.000000 BFGS: 2462 16:31:13 0.000000 0.000000 Minimization converged after 2462 steps. Maximum force component: 3.3304523098855788e-15 eV/Angstrom Maximum stress component: 3.258616737310261e-18 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0.33333333 0.66666667 0.18758639] [0.66666666 0.33333334 0.81241361] [0.33333333 0.66666667 0.03316259] [0.66666666 0.33333334 0.96683741] [0.19944338 0.80055662 0.08843806] [0.19944338 0.39888676 0.08843806] [0.60111324 0.80055662 0.08843806] [0.80055662 0.19944338 0.91156194] [0.39888675 0.19944338 0.91156194] [0.80055662 0.60111325 0.91156194] [0.08299831 0.91700169 0.25269032] [0.08299831 0.16599662 0.25269032] [0.83400338 0.91700169 0.25269032] [0.91700169 0.08299831 0.74730968] [0.16599661 0.08299831 0.74730968] [0.91700169 0.83400339 0.74730968] [0.24471938 0.75528062 0.31263429] [0.24471938 0.48943876 0.31263429] [0.51056124 0.75528062 0.31263429] [0.75528062 0.24471938 0.68736571] [0.48943876 0.24471938 0.68736571] [0.75528062 0.51056124 0.68736571] [0.66658721 0.08418172 0.5615292 ] [0.91581828 0.58240549 0.5615292 ] [0.41759451 0.33341279 0.5615292 ] [0.08418172 0.66658721 0.4384708 ] [0.58240549 0.91581828 0.4384708 ] [0.33341279 0.41759451 0.4384708 ] [0.33341279 0.91581828 0.4384708 ] [0.08418172 0.41759451 0.4384708 ] [0.58240549 0.66658721 0.4384708 ] [0.91581828 0.33341279 0.5615292 ] [0.41759451 0.08418172 0.5615292 ] [0.66658721 0.58240549 0.5615292 ] [0.66344392 0.60697693 0.2659643 ] [0.39302307 0.056467 0.2659643 ] [0.943533 0.33655608 0.2659643 ] [0.60697693 0.66344393 0.7340357 ] [0.05646699 0.39302307 0.7340357 ] [0.33655607 0.94353301 0.7340357 ] [0.33655607 0.39302307 0.7340357 ] [0.60697693 0.94353301 0.7340357 ] [0.05646699 0.66344393 0.7340357 ] [0.39302307 0.33655608 0.2659643 ] [0.943533 0.60697693 0.2659643 ] [0.66344392 0.056467 0.2659643 ] [0.6624111 0.07162783 0.06581239] [0.92837217 0.59078328 0.06581239] [0.40921672 0.3375889 0.06581239] [0.07162782 0.6624111 0.93418761] [0.59078327 0.92837218 0.93418761] [0.3375889 0.40921673 0.93418761] [0.3375889 0.92837218 0.93418761] [0.07162782 0.40921673 0.93418761] [0.59078327 0.6624111 0.93418761] [0.92837217 0.3375889 0.06581239] [0.40921672 0.07162783 0.06581239] [0.6624111 0.59078328 0.06581239]] cellpar = Cell([[29.518950332841865, -2.562825239461259e-16, 3.648495475804496e-36], [-14.759475166420932, 25.56416088129217, 7.40018412439706e-36], [4.21403137732373e-36, 1.1099310709702904e-35, 48.415839226020886]]) forces = [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 2.00721507e-31 2.40593447e-15 3.33045231e-15] [-2.08360037e-15 -1.20296724e-15 3.33045231e-15] [ 2.08360037e-15 -1.20296724e-15 3.33045231e-15] [ 2.08360037e-15 1.20296724e-15 -3.33045231e-15] [-2.00721507e-31 -2.40593447e-15 -3.33045231e-15] [-2.08360037e-15 1.20296724e-15 -3.33045231e-15] [-2.00721507e-31 -2.40593447e-15 -3.33045231e-15] [ 2.08360037e-15 1.20296724e-15 -3.33045231e-15] [-2.08360037e-15 1.20296724e-15 -3.33045231e-15] [-2.08360037e-15 -1.20296724e-15 3.33045231e-15] [ 2.00721507e-31 2.40593447e-15 3.33045231e-15] [ 2.08360037e-15 -1.20296724e-15 3.33045231e-15] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 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 = [-8.50284846e-19 -8.50284846e-19 -3.25861674e-18 -2.65564602e-35 -4.59971383e-35 -2.01500818e-34] energy per atom = 0.0 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0