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 15:43:01 924.525160 18.866351 BFGS: 1 15:43:01 921.295556 18.790455 BFGS: 2 15:43:02 918.109850 18.715032 BFGS: 3 15:43:02 914.964746 18.644543 BFGS: 4 15:43:03 911.856214 18.574623 BFGS: 5 15:43:03 908.781060 18.505020 BFGS: 6 15:43:03 905.736695 18.435713 BFGS: 7 15:43:04 902.720908 18.366731 BFGS: 8 15:43:04 899.731500 18.298174 BFGS: 9 15:43:04 896.766627 18.229965 BFGS: 10 15:43:05 893.824708 18.162104 BFGS: 11 15:43:05 890.904153 18.094657 BFGS: 12 15:43:06 888.003243 18.027621 BFGS: 13 15:43:06 885.120656 17.960863 BFGS: 14 15:43:07 882.255705 17.894261 BFGS: 15 15:43:07 879.407725 17.827938 BFGS: 16 15:43:08 876.576138 17.761851 BFGS: 17 15:43:08 873.760115 17.695960 BFGS: 18 15:43:08 870.959003 17.630224 BFGS: 19 15:43:09 868.172372 17.564645 BFGS: 20 15:43:09 865.399829 17.499223 BFGS: 21 15:43:10 862.641015 17.433959 BFGS: 22 15:43:10 859.895581 17.369070 BFGS: 23 15:43:10 857.163031 17.304419 BFGS: 24 15:43:11 854.442911 17.240499 BFGS: 25 15:43:11 851.734761 17.176891 BFGS: 26 15:43:12 849.038333 17.113449 BFGS: 27 15:43:12 846.353431 17.050171 BFGS: 28 15:43:13 843.679875 16.987539 BFGS: 29 15:43:13 841.017494 16.927008 BFGS: 30 15:43:14 838.366117 16.866777 BFGS: 31 15:43:15 835.727033 16.806857 BFGS: 32 15:43:16 833.100573 16.747143 BFGS: 33 15:43:16 830.486576 16.687695 BFGS: 34 15:43:17 827.884869 16.628840 BFGS: 35 15:43:17 825.295357 16.570445 BFGS: 36 15:43:18 822.717922 16.512370 BFGS: 37 15:43:19 820.152415 16.454600 BFGS: 38 15:43:20 817.598591 16.397008 BFGS: 39 15:43:20 815.056312 16.339593 BFGS: 40 15:43:21 812.525447 16.282354 BFGS: 41 15:43:21 810.005870 16.225289 BFGS: 42 15:43:22 807.497461 16.168397 BFGS: 43 15:43:22 805.000103 16.111676 BFGS: 44 15:43:23 802.513685 16.055125 BFGS: 45 15:43:23 800.038097 15.998743 BFGS: 46 15:43:24 797.573237 15.942528 BFGS: 47 15:43:25 795.119001 15.886478 BFGS: 48 15:43:25 792.675291 15.830595 BFGS: 49 15:43:26 790.241977 15.774883 BFGS: 50 15:43:27 787.818913 15.719330 BFGS: 51 15:43:27 785.405985 15.664058 BFGS: 52 15:43:28 783.003006 15.609003 BFGS: 53 15:43:28 780.609841 15.554093 BFGS: 54 15:43:29 778.226384 15.499328 BFGS: 55 15:43:29 775.852532 15.444706 BFGS: 56 15:43:30 773.488186 15.390229 BFGS: 57 15:43:30 771.133248 15.335894 BFGS: 58 15:43:31 768.787625 15.281701 BFGS: 59 15:43:31 766.451219 15.227736 BFGS: 60 15:43:32 764.123897 15.173943 BFGS: 61 15:43:32 761.805554 15.120281 BFGS: 62 15:43:33 759.496101 15.066752 BFGS: 63 15:43:33 757.195440 15.013354 BFGS: 64 15:43:34 754.903211 14.960249 BFGS: 65 15:43:35 752.619233 14.907267 BFGS: 66 15:43:35 750.343417 14.854605 BFGS: 67 15:43:36 748.075743 14.802255 BFGS: 68 15:43:37 745.816095 14.750283 BFGS: 69 15:43:37 743.564395 14.698444 BFGS: 70 15:43:38 741.320571 14.646891 BFGS: 71 15:43:38 739.084491 14.595685 BFGS: 72 15:43:39 736.856054 14.544603 BFGS: 73 15:43:39 734.635179 14.493644 BFGS: 74 15:43:40 732.421783 14.442808 BFGS: 75 15:43:40 730.215784 14.392094 BFGS: 76 15:43:41 728.017102 14.341500 BFGS: 77 15:43:42 725.825653 14.291027 BFGS: 78 15:43:42 723.641357 14.240672 BFGS: 79 15:43:42 721.464130 14.190435 BFGS: 80 15:43:43 719.293889 14.140315 BFGS: 81 15:43:43 717.130546 14.090441 BFGS: 82 15:43:43 714.974004 14.040773 BFGS: 83 15:43:44 712.824177 13.991214 BFGS: 84 15:43:44 710.680978 13.941762 BFGS: 85 15:43:44 708.544320 13.892417 BFGS: 86 15:43:44 706.414117 13.843177 BFGS: 87 15:43:45 704.290283 13.794041 BFGS: 88 15:43:45 702.172724 13.745213 BFGS: 89 15:43:46 700.061317 13.696681 BFGS: 90 15:43:47 697.955969 13.648257 BFGS: 91 15:43:47 695.856607 13.600007 BFGS: 92 15:43:47 693.763146 13.552025 BFGS: 93 15:43:48 691.675524 13.504147 BFGS: 94 15:43:48 689.593667 13.456371 BFGS: 95 15:43:49 687.517501 13.408696 BFGS: 96 15:43:49 685.446941 13.361567 BFGS: 97 15:43:49 683.381927 13.314897 BFGS: 98 15:43:49 681.322436 13.268514 BFGS: 99 15:43:49 679.268294 13.222685 BFGS: 100 15:43:50 677.219306 13.177014 BFGS: 101 15:43:50 675.175364 13.131448 BFGS: 102 15:43:50 673.136374 13.086212 BFGS: 103 15:43:51 671.102333 13.041117 BFGS: 104 15:43:51 669.073162 12.996318 BFGS: 105 15:43:51 667.048843 12.951616 BFGS: 106 15:43:52 665.029306 12.907234 BFGS: 107 15:43:52 663.014529 12.863132 BFGS: 108 15:43:52 661.004514 12.819134 BFGS: 109 15:43:53 658.999211 12.775238 BFGS: 110 15:43:53 656.998569 12.731636 BFGS: 111 15:43:53 655.002436 12.688325 BFGS: 112 15:43:53 653.010709 12.645209 BFGS: 113 15:43:54 651.023077 12.602216 BFGS: 114 15:43:54 649.039449 12.559331 BFGS: 115 15:43:54 647.059825 12.516820 BFGS: 116 15:43:54 645.084238 12.474490 BFGS: 117 15:43:55 643.112732 12.432300 BFGS: 118 15:43:55 641.145297 12.390766 BFGS: 119 15:43:55 639.182021 12.349416 BFGS: 120 15:43:55 637.222662 12.308270 BFGS: 121 15:43:55 635.266991 12.267188 BFGS: 122 15:43:56 633.315077 12.226172 BFGS: 123 15:43:56 631.367004 12.185223 BFGS: 124 15:43:56 629.422871 12.144343 BFGS: 125 15:43:56 627.482787 12.103532 BFGS: 126 15:43:56 625.546810 12.063182 BFGS: 127 15:43:57 623.614993 12.022988 BFGS: 128 15:43:57 621.687196 11.982911 BFGS: 129 15:43:57 619.763431 11.942923 BFGS: 130 15:43:57 617.843857 11.902997 BFGS: 131 15:43:58 615.928626 11.863135 BFGS: 132 15:43:58 614.017902 11.823341 BFGS: 133 15:43:58 612.111730 11.784715 BFGS: 134 15:43:58 610.210113 11.746413 BFGS: 135 15:43:58 608.313227 11.708205 BFGS: 136 15:43:59 606.421277 11.670324 BFGS: 137 15:43:59 604.534486 11.632708 BFGS: 138 15:43:59 602.653074 11.595183 BFGS: 139 15:43:59 600.777234 11.557748 BFGS: 140 15:43:59 598.907162 11.520405 BFGS: 141 15:43:59 597.043060 11.483154 BFGS: 142 15:43:59 595.185127 11.445996 BFGS: 143 15:44:00 593.333567 11.408931 BFGS: 144 15:44:00 591.488579 11.371959 BFGS: 145 15:44:00 589.650361 11.335082 BFGS: 146 15:44:01 587.819095 11.298397 BFGS: 147 15:44:01 585.994921 11.261861 BFGS: 148 15:44:01 584.178006 11.225420 BFGS: 149 15:44:01 582.368525 11.189075 BFGS: 150 15:44:01 580.566639 11.152825 BFGS: 151 15:44:01 578.772503 11.116669 BFGS: 152 15:44:01 576.986257 11.080606 BFGS: 153 15:44:01 575.208029 11.044636 BFGS: 154 15:44:01 573.437935 11.008827 BFGS: 155 15:44:01 571.676022 10.973690 BFGS: 156 15:44:01 569.922131 10.939063 BFGS: 157 15:44:01 568.176294 10.904589 BFGS: 158 15:44:02 566.438586 10.870231 BFGS: 159 15:44:02 564.708927 10.836678 BFGS: 160 15:44:02 562.987207 10.803213 BFGS: 161 15:44:02 561.273389 10.770224 BFGS: 162 15:44:03 559.567201 10.737394 BFGS: 163 15:44:03 557.868551 10.704635 BFGS: 164 15:44:03 556.177445 10.671945 BFGS: 165 15:44:03 554.493882 10.639321 BFGS: 166 15:44:03 552.817829 10.606771 BFGS: 167 15:44:03 551.148821 10.574484 BFGS: 168 15:44:03 549.486305 10.542534 BFGS: 169 15:44:03 547.830309 10.510835 BFGS: 170 15:44:03 546.180727 10.479464 BFGS: 171 15:44:03 544.537327 10.448133 BFGS: 172 15:44:03 542.900061 10.416913 BFGS: 173 15:44:04 541.268534 10.385827 BFGS: 174 15:44:04 539.642470 10.354774 BFGS: 175 15:44:04 538.021842 10.323754 BFGS: 176 15:44:04 536.406626 10.292762 BFGS: 177 15:44:04 534.796756 10.262180 BFGS: 178 15:44:04 533.192072 10.231664 BFGS: 179 15:44:05 531.592473 10.201403 BFGS: 180 15:44:05 529.997388 10.171494 BFGS: 181 15:44:05 528.406326 10.141732 BFGS: 182 15:44:05 526.819188 10.111983 BFGS: 183 15:44:05 525.235951 10.082268 BFGS: 184 15:44:05 523.656421 10.052558 BFGS: 185 15:44:05 522.080674 10.022851 BFGS: 186 15:44:05 520.508797 9.993148 BFGS: 187 15:44:05 518.940882 9.963448 BFGS: 188 15:44:05 517.377034 9.933752 BFGS: 189 15:44:05 515.817365 9.904058 BFGS: 190 15:44:05 514.261995 9.874369 BFGS: 191 15:44:05 512.711055 9.844688 BFGS: 192 15:44:05 511.164695 9.815041 BFGS: 193 15:44:05 509.623027 9.785401 BFGS: 194 15:44:05 508.086206 9.755767 BFGS: 195 15:44:05 506.554395 9.726140 BFGS: 196 15:44:05 505.027742 9.696657 BFGS: 197 15:44:05 503.506298 9.667218 BFGS: 198 15:44:05 501.990222 9.637791 BFGS: 199 15:44:05 500.479702 9.608380 BFGS: 200 15:44:05 498.974928 9.578985 BFGS: 201 15:44:05 497.476089 9.549610 BFGS: 202 15:44:05 495.983375 9.520257 BFGS: 203 15:44:05 494.496972 9.490929 BFGS: 204 15:44:05 493.017055 9.461880 BFGS: 205 15:44:05 491.543753 9.433129 BFGS: 206 15:44:05 490.077252 9.404402 BFGS: 207 15:44:05 488.617725 9.375701 BFGS: 208 15:44:06 487.165337 9.347031 BFGS: 209 15:44:06 485.720242 9.318393 BFGS: 210 15:44:06 484.282588 9.289790 BFGS: 211 15:44:06 482.852508 9.261226 BFGS: 212 15:44:06 481.430127 9.232703 BFGS: 213 15:44:06 480.015556 9.204223 BFGS: 214 15:44:06 478.608885 9.175962 BFGS: 215 15:44:06 477.210202 9.147766 BFGS: 216 15:44:06 475.819583 9.119619 BFGS: 217 15:44:06 474.436929 9.091943 BFGS: 218 15:44:06 473.061720 9.064532 BFGS: 219 15:44:06 471.693931 9.037282 BFGS: 220 15:44:06 470.333610 9.010067 BFGS: 221 15:44:06 468.980759 8.983325 BFGS: 222 15:44:06 467.635303 8.956805 BFGS: 223 15:44:06 466.297253 8.930329 BFGS: 224 15:44:06 464.966620 8.903900 BFGS: 225 15:44:06 463.643405 8.877518 BFGS: 226 15:44:06 462.327601 8.851234 BFGS: 227 15:44:06 461.019216 8.825459 BFGS: 228 15:44:07 459.718187 8.799758 BFGS: 229 15:44:07 458.424480 8.774107 BFGS: 230 15:44:07 457.138057 8.748507 BFGS: 231 15:44:07 455.858873 8.722958 BFGS: 232 15:44:07 454.586878 8.697460 BFGS: 233 15:44:07 453.322016 8.672013 BFGS: 234 15:44:08 452.064229 8.646616 BFGS: 235 15:44:08 450.813445 8.621444 BFGS: 236 15:44:08 449.569517 8.596767 BFGS: 237 15:44:08 448.332311 8.572315 BFGS: 238 15:44:08 447.101757 8.547914 BFGS: 239 15:44:08 445.877782 8.523647 BFGS: 240 15:44:08 444.660254 8.499722 BFGS: 241 15:44:08 443.449064 8.475840 BFGS: 242 15:44:08 442.244142 8.452057 BFGS: 243 15:44:08 441.045424 8.428473 BFGS: 244 15:44:08 439.852787 8.405078 BFGS: 245 15:44:08 438.666128 8.382020 BFGS: 246 15:44:08 437.485316 8.359039 BFGS: 247 15:44:08 436.310279 8.336097 BFGS: 248 15:44:08 435.140948 8.313192 BFGS: 249 15:44:08 433.977252 8.290323 BFGS: 250 15:44:08 432.819104 8.267545 BFGS: 251 15:44:09 431.666372 8.244826 BFGS: 252 15:44:09 430.518980 8.222140 BFGS: 253 15:44:09 429.376859 8.199503 BFGS: 254 15:44:09 428.239910 8.176908 BFGS: 255 15:44:09 427.108030 8.154344 BFGS: 256 15:44:09 425.981151 8.131812 BFGS: 257 15:44:09 424.859087 8.109616 BFGS: 258 15:44:09 423.741516 8.087543 BFGS: 259 15:44:09 422.628371 8.065648 BFGS: 260 15:44:09 421.519609 8.043780 BFGS: 261 15:44:09 420.415170 8.021938 BFGS: 262 15:44:09 419.314970 8.000461 BFGS: 263 15:44:09 418.218958 7.979085 BFGS: 264 15:44:09 417.127081 7.957763 BFGS: 265 15:44:09 416.039288 7.936464 BFGS: 266 15:44:09 414.955524 7.915187 BFGS: 267 15:44:09 413.875740 7.893933 BFGS: 268 15:44:09 412.799880 7.872811 BFGS: 269 15:44:09 411.727909 7.851798 BFGS: 270 15:44:09 410.659794 7.830805 BFGS: 271 15:44:09 409.595485 7.809831 BFGS: 272 15:44:09 408.534866 7.789079 BFGS: 273 15:44:10 407.477721 7.768530 BFGS: 274 15:44:10 406.424002 7.748014 BFGS: 275 15:44:10 405.373666 7.727521 BFGS: 276 15:44:10 404.326668 7.707048 BFGS: 277 15:44:10 403.282960 7.686595 BFGS: 278 15:44:10 402.242494 7.666162 BFGS: 279 15:44:10 401.205221 7.645747 BFGS: 280 15:44:10 400.171090 7.625350 BFGS: 281 15:44:10 399.140045 7.605068 BFGS: 282 15:44:10 398.111920 7.585178 BFGS: 283 15:44:10 397.086583 7.565298 BFGS: 284 15:44:10 396.063977 7.545428 BFGS: 285 15:44:10 395.044045 7.525567 BFGS: 286 15:44:10 394.026728 7.505713 BFGS: 287 15:44:10 393.011962 7.485865 BFGS: 288 15:44:10 391.999613 7.466048 BFGS: 289 15:44:10 390.989193 7.446245 BFGS: 290 15:44:10 389.980532 7.426443 BFGS: 291 15:44:11 388.973535 7.406642 BFGS: 292 15:44:11 387.968103 7.386839 BFGS: 293 15:44:11 386.964136 7.367031 BFGS: 294 15:44:11 385.961528 7.347215 BFGS: 295 15:44:11 384.960170 7.327389 BFGS: 296 15:44:11 383.959949 7.307548 BFGS: 297 15:44:11 382.960736 7.287822 BFGS: 298 15:44:12 381.962306 7.268220 BFGS: 299 15:44:12 380.964503 7.248600 BFGS: 300 15:44:12 379.967208 7.228958 BFGS: 301 15:44:12 378.970302 7.209289 BFGS: 302 15:44:12 377.973671 7.189588 BFGS: 303 15:44:13 376.977203 7.169850 BFGS: 304 15:44:13 375.980791 7.150071 BFGS: 305 15:44:13 374.984300 7.130602 BFGS: 306 15:44:13 373.987535 7.111163 BFGS: 307 15:44:13 372.990419 7.091669 BFGS: 308 15:44:14 371.992887 7.072117 BFGS: 309 15:44:14 370.994769 7.052521 BFGS: 310 15:44:14 369.996020 7.032892 BFGS: 311 15:44:14 368.996681 7.013193 BFGS: 312 15:44:14 367.996847 6.993644 BFGS: 313 15:44:14 366.996648 6.974079 BFGS: 314 15:44:14 365.996098 6.954616 BFGS: 315 15:44:14 364.995119 6.935417 BFGS: 316 15:44:14 363.993682 6.916151 BFGS: 317 15:44:14 362.991788 6.897102 BFGS: 318 15:44:14 361.989510 6.877978 BFGS: 319 15:44:14 360.986896 6.858780 BFGS: 320 15:44:14 359.983988 6.839622 BFGS: 321 15:44:14 358.980825 6.820542 BFGS: 322 15:44:14 357.977462 6.801388 BFGS: 323 15:44:14 356.973954 6.782163 BFGS: 324 15:44:14 355.970361 6.762866 BFGS: 325 15:44:14 354.966746 6.743501 BFGS: 326 15:44:14 353.963176 6.724069 BFGS: 327 15:44:14 352.959721 6.704572 BFGS: 328 15:44:14 351.956458 6.685013 BFGS: 329 15:44:15 350.953464 6.665393 BFGS: 330 15:44:15 349.950823 6.645716 BFGS: 331 15:44:15 348.948620 6.625984 BFGS: 332 15:44:15 347.946938 6.606214 BFGS: 333 15:44:15 346.945783 6.586412 BFGS: 334 15:44:15 345.945207 6.566562 BFGS: 335 15:44:15 344.945309 6.546668 BFGS: 336 15:44:15 343.946191 6.526733 BFGS: 337 15:44:15 342.947960 6.506760 BFGS: 338 15:44:15 341.950721 6.486752 BFGS: 339 15:44:15 340.954587 6.466713 BFGS: 340 15:44:15 339.959667 6.446645 BFGS: 341 15:44:15 338.966080 6.426712 BFGS: 342 15:44:15 337.974144 6.406994 BFGS: 343 15:44:15 336.984106 6.387255 BFGS: 344 15:44:15 335.996085 6.367498 BFGS: 345 15:44:15 335.010201 6.347724 BFGS: 346 15:44:15 334.026575 6.327939 BFGS: 347 15:44:15 333.045323 6.308174 BFGS: 348 15:44:15 332.066534 6.288440 BFGS: 349 15:44:15 331.090328 6.268701 BFGS: 350 15:44:15 330.116818 6.248959 BFGS: 351 15:44:16 329.146118 6.229218 BFGS: 352 15:44:16 328.178342 6.209481 BFGS: 353 15:44:16 327.213599 6.189749 BFGS: 354 15:44:16 326.251994 6.170173 BFGS: 355 15:44:16 325.293623 6.150665 BFGS: 356 15:44:16 324.338595 6.131170 BFGS: 357 15:44:16 323.387012 6.111692 BFGS: 358 15:44:16 322.438976 6.092232 BFGS: 359 15:44:16 321.494586 6.072792 BFGS: 360 15:44:16 320.553937 6.053375 BFGS: 361 15:44:16 319.617123 6.033983 BFGS: 362 15:44:16 318.684235 6.014616 BFGS: 363 15:44:16 317.755359 5.995279 BFGS: 364 15:44:16 316.830580 5.975971 BFGS: 365 15:44:16 315.909979 5.956695 BFGS: 366 15:44:16 314.993633 5.937453 BFGS: 367 15:44:16 314.081617 5.918245 BFGS: 368 15:44:16 313.174000 5.899074 BFGS: 369 15:44:16 312.270862 5.879982 BFGS: 370 15:44:16 311.372296 5.860961 BFGS: 371 15:44:16 310.478341 5.841979 BFGS: 372 15:44:16 309.589051 5.823035 BFGS: 373 15:44:16 308.704476 5.804133 BFGS: 374 15:44:17 307.824650 5.785506 BFGS: 375 15:44:17 306.949573 5.766978 BFGS: 376 15:44:17 306.079284 5.748492 BFGS: 377 15:44:17 305.213763 5.730498 BFGS: 378 15:44:17 304.352913 5.712818 BFGS: 379 15:44:17 303.496681 5.695229 BFGS: 380 15:44:17 302.645093 5.677681 BFGS: 381 15:44:17 301.798175 5.660176 BFGS: 382 15:44:17 300.955951 5.642714 BFGS: 383 15:44:17 300.118439 5.625296 BFGS: 384 15:44:17 299.285657 5.607920 BFGS: 385 15:44:17 298.457569 5.590711 BFGS: 386 15:44:17 297.634101 5.573560 BFGS: 387 15:44:17 296.815261 5.556449 BFGS: 388 15:44:17 296.001056 5.539380 BFGS: 389 15:44:17 295.191492 5.522353 BFGS: 390 15:44:17 294.386572 5.505367 BFGS: 391 15:44:17 293.586295 5.488423 BFGS: 392 15:44:17 292.790659 5.471521 BFGS: 393 15:44:17 291.999658 5.454660 BFGS: 394 15:44:17 291.213283 5.437926 BFGS: 395 15:44:17 290.431297 5.421823 BFGS: 396 15:44:17 289.653265 5.405891 BFGS: 397 15:44:17 288.879165 5.389996 BFGS: 398 15:44:18 288.108987 5.374139 BFGS: 399 15:44:18 287.342724 5.358320 BFGS: 400 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0.405416 BFGS: 1861 15:44:54 7.318517 0.404907 BFGS: 1862 15:44:54 7.289592 0.404313 BFGS: 1863 15:44:54 7.260899 0.403635 BFGS: 1864 15:44:54 7.232431 0.402878 BFGS: 1865 15:44:54 7.204179 0.402045 BFGS: 1866 15:44:54 7.176139 0.401138 BFGS: 1867 15:44:54 7.148304 0.400160 BFGS: 1868 15:44:54 7.120668 0.399113 BFGS: 1869 15:44:54 7.093226 0.398000 BFGS: 1870 15:44:54 7.065973 0.396824 BFGS: 1871 15:44:54 7.038905 0.395585 BFGS: 1872 15:44:54 7.012016 0.394285 BFGS: 1873 15:44:54 6.985303 0.392928 BFGS: 1874 15:44:54 6.958761 0.391513 BFGS: 1875 15:44:54 6.932387 0.390043 BFGS: 1876 15:44:54 6.906177 0.388520 BFGS: 1877 15:44:54 6.880128 0.386944 BFGS: 1878 15:44:54 6.854231 0.385317 BFGS: 1879 15:44:54 6.828458 0.383620 BFGS: 1880 15:44:54 6.802828 0.381830 BFGS: 1881 15:44:54 6.777337 0.379958 BFGS: 1882 15:44:54 6.751978 0.378013 BFGS: 1883 15:44:55 6.726748 0.376003 BFGS: 1884 15:44:55 6.701641 0.373932 BFGS: 1885 15:44:55 6.676654 0.371808 BFGS: 1886 15:44:55 6.651784 0.369635 BFGS: 1887 15:44:55 6.627026 0.367416 BFGS: 1888 15:44:55 6.602377 0.366004 BFGS: 1889 15:44:55 6.577834 0.364665 BFGS: 1890 15:44:55 6.553395 0.363311 BFGS: 1891 15:44:55 6.529057 0.361943 BFGS: 1892 15:44:55 6.504817 0.360561 BFGS: 1893 15:44:55 6.480672 0.359165 BFGS: 1894 15:44:55 6.456620 0.357756 BFGS: 1895 15:44:55 6.432659 0.356333 BFGS: 1896 15:44:55 6.408787 0.354898 BFGS: 1897 15:44:55 6.385002 0.353449 BFGS: 1898 15:44:55 6.361302 0.351988 BFGS: 1899 15:44:55 6.337684 0.350516 BFGS: 1900 15:44:55 6.314148 0.349031 BFGS: 1901 15:44:55 6.290691 0.347534 BFGS: 1902 15:44:55 6.267312 0.346026 BFGS: 1903 15:44:55 6.244009 0.344507 BFGS: 1904 15:44:55 6.220781 0.342977 BFGS: 1905 15:44:55 6.197626 0.341436 BFGS: 1906 15:44:55 6.174543 0.339884 BFGS: 1907 15:44:55 6.151531 0.338322 BFGS: 1908 15:44:55 6.128588 0.336749 BFGS: 1909 15:44:55 6.105714 0.335166 BFGS: 1910 15:44:55 6.082906 0.333574 BFGS: 1911 15:44:55 6.060165 0.331972 BFGS: 1912 15:44:55 6.037488 0.330360 BFGS: 1913 15:44:55 6.014875 0.328738 BFGS: 1914 15:44:55 5.992324 0.327108 BFGS: 1915 15:44:55 5.969836 0.325468 BFGS: 1916 15:44:55 5.947409 0.323820 BFGS: 1917 15:44:55 5.925041 0.322162 BFGS: 1918 15:44:55 5.902733 0.320496 BFGS: 1919 15:44:55 5.880483 0.318821 BFGS: 1920 15:44:55 5.858291 0.317138 BFGS: 1921 15:44:55 5.836155 0.315447 BFGS: 1922 15:44:55 5.814076 0.313748 BFGS: 1923 15:44:55 5.792052 0.312041 BFGS: 1924 15:44:55 5.770083 0.310326 BFGS: 1925 15:44:55 5.748167 0.308603 BFGS: 1926 15:44:56 5.726305 0.306873 BFGS: 1927 15:44:56 5.704496 0.305136 BFGS: 1928 15:44:56 5.682740 0.303391 BFGS: 1929 15:44:56 5.661034 0.301639 BFGS: 1930 15:44:56 5.639380 0.299880 BFGS: 1931 15:44:56 5.617776 0.298114 BFGS: 1932 15:44:56 5.596223 0.296342 BFGS: 1933 15:44:56 5.574719 0.294563 BFGS: 1934 15:44:56 5.553263 0.292777 BFGS: 1935 15:44:56 5.531857 0.290985 BFGS: 1936 15:44:56 5.510498 0.289187 BFGS: 1937 15:44:56 5.489187 0.287383 BFGS: 1938 15:44:56 5.467924 0.285573 BFGS: 1939 15:44:56 5.446707 0.283757 BFGS: 1940 15:44:56 5.425536 0.281936 BFGS: 1941 15:44:56 5.404411 0.280109 BFGS: 1942 15:44:56 5.383332 0.278276 BFGS: 1943 15:44:56 5.362299 0.276438 BFGS: 1944 15:44:56 5.341310 0.274596 BFGS: 1945 15:44:56 5.320365 0.272748 BFGS: 1946 15:44:56 5.299465 0.270895 BFGS: 1947 15:44:56 5.278608 0.269038 BFGS: 1948 15:44:56 5.257795 0.267176 BFGS: 1949 15:44:56 5.237025 0.265309 BFGS: 1950 15:44:56 5.216297 0.263438 BFGS: 1951 15:44:56 5.195613 0.261564 BFGS: 1952 15:44:56 5.174970 0.259685 BFGS: 1953 15:44:56 5.154369 0.257802 BFGS: 1954 15:44:56 5.133810 0.255915 BFGS: 1955 15:44:56 5.113292 0.254025 BFGS: 1956 15:44:56 5.092815 0.252132 BFGS: 1957 15:44:56 5.072378 0.250235 BFGS: 1958 15:44:56 5.052046 0.248335 BFGS: 1959 15:44:56 5.031847 0.246316 BFGS: 1960 15:44:56 5.011656 0.244134 BFGS: 1961 15:44:56 4.991479 0.241829 BFGS: 1962 15:44:56 4.971321 0.239427 BFGS: 1963 15:44:56 4.951184 0.236947 BFGS: 1964 15:44:56 4.931069 0.234402 BFGS: 1965 15:44:56 4.910977 0.232721 BFGS: 1966 15:44:56 4.890908 0.234564 BFGS: 1967 15:44:56 4.870861 0.236433 BFGS: 1968 15:44:56 4.850834 0.238329 BFGS: 1969 15:44:56 4.830827 0.240251 BFGS: 1970 15:44:57 4.810838 0.242200 BFGS: 1971 15:44:57 4.790866 0.244175 BFGS: 1972 15:44:57 4.770911 0.246176 BFGS: 1973 15:44:57 4.750971 0.248201 BFGS: 1974 15:44:57 4.731046 0.250251 BFGS: 1975 15:44:57 4.711134 0.252323 BFGS: 1976 15:44:57 4.691235 0.254418 BFGS: 1977 15:44:57 4.671349 0.256534 BFGS: 1978 15:44:57 4.651475 0.258671 BFGS: 1979 15:44:57 4.631613 0.260828 BFGS: 1980 15:44:57 4.611763 0.263003 BFGS: 1981 15:44:57 4.591924 0.265196 BFGS: 1982 15:44:57 4.572095 0.267406 BFGS: 1983 15:44:57 4.552278 0.269633 BFGS: 1984 15:44:57 4.532472 0.271874 BFGS: 1985 15:44:57 4.512677 0.274131 BFGS: 1986 15:44:57 4.492893 0.276401 BFGS: 1987 15:44:57 4.473119 0.278684 BFGS: 1988 15:44:57 4.453356 0.280979 BFGS: 1989 15:44:57 4.433604 0.283285 BFGS: 1990 15:44:57 4.413862 0.285602 BFGS: 1991 15:44:57 4.394131 0.287929 BFGS: 1992 15:44:57 4.374411 0.290264 BFGS: 1993 15:44:57 4.354701 0.292608 BFGS: 1994 15:44:57 4.335001 0.294959 BFGS: 1995 15:44:57 4.315311 0.297317 BFGS: 1996 15:44:57 4.295648 0.299682 BFGS: 1997 15:44:57 4.275999 0.302015 BFGS: 1998 15:44:57 4.256340 0.304303 BFGS: 1999 15:44:57 4.236666 0.306541 BFGS: 2000 15:44:57 4.216975 0.308728 BFGS: 2001 15:44:57 4.197265 0.310865 BFGS: 2002 15:44:57 4.177536 0.312952 BFGS: 2003 15:44:57 4.157788 0.314991 BFGS: 2004 15:44:57 4.138022 0.316983 BFGS: 2005 15:44:57 4.118240 0.318930 BFGS: 2006 15:44:57 4.098442 0.320834 BFGS: 2007 15:44:57 4.078629 0.322697 BFGS: 2008 15:44:57 4.058805 0.324520 BFGS: 2009 15:44:57 4.038969 0.326306 BFGS: 2010 15:44:57 4.019123 0.328056 BFGS: 2011 15:44:57 3.999269 0.329771 BFGS: 2012 15:44:57 3.979408 0.331454 BFGS: 2013 15:44:58 3.959542 0.333104 BFGS: 2014 15:44:58 3.939670 0.334724 BFGS: 2015 15:44:58 3.919794 0.336315 BFGS: 2016 15:44:58 3.899916 0.337877 BFGS: 2017 15:44:58 3.880035 0.339411 BFGS: 2018 15:44:58 3.860152 0.340919 BFGS: 2019 15:44:58 3.840268 0.342402 BFGS: 2020 15:44:58 3.820383 0.343859 BFGS: 2021 15:44:58 3.800493 0.345291 BFGS: 2022 15:44:58 3.780575 0.346682 BFGS: 2023 15:44:58 3.760652 0.348010 BFGS: 2024 15:44:58 3.740736 0.349286 BFGS: 2025 15:44:58 3.720836 0.350521 BFGS: 2026 15:44:58 3.700958 0.351719 BFGS: 2027 15:44:58 3.681109 0.352887 BFGS: 2028 15:44:58 3.661292 0.354029 BFGS: 2029 15:44:58 3.641511 0.355146 BFGS: 2030 15:44:58 3.621770 0.356241 BFGS: 2031 15:44:58 3.602069 0.357317 BFGS: 2032 15:44:58 3.582411 0.358374 BFGS: 2033 15:44:58 3.562798 0.359414 BFGS: 2034 15:44:58 3.543229 0.360437 BFGS: 2035 15:44:58 3.523707 0.361445 BFGS: 2036 15:44:58 3.504231 0.362438 BFGS: 2037 15:44:58 3.484802 0.363416 BFGS: 2038 15:44:58 3.465421 0.364381 BFGS: 2039 15:44:58 3.446088 0.365331 BFGS: 2040 15:44:58 3.426802 0.366269 BFGS: 2041 15:44:58 3.407564 0.367194 BFGS: 2042 15:44:58 3.388373 0.368105 BFGS: 2043 15:44:58 3.369230 0.369005 BFGS: 2044 15:44:58 3.350129 0.369892 BFGS: 2045 15:44:58 3.331086 0.370768 BFGS: 2046 15:44:58 3.312099 0.371631 BFGS: 2047 15:44:58 3.293160 0.372483 BFGS: 2048 15:44:58 3.274204 0.373320 BFGS: 2049 15:44:58 3.255272 0.374115 BFGS: 2050 15:44:58 3.236405 0.374797 BFGS: 2051 15:44:58 3.217602 0.375384 BFGS: 2052 15:44:58 3.198861 0.375889 BFGS: 2053 15:44:58 3.180183 0.376326 BFGS: 2054 15:44:58 3.161563 0.376704 BFGS: 2055 15:44:58 3.143001 0.377031 BFGS: 2056 15:44:58 3.124494 0.377315 BFGS: 2057 15:44:59 3.106040 0.377562 BFGS: 2058 15:44:59 3.087637 0.377778 BFGS: 2059 15:44:59 3.069282 0.377967 BFGS: 2060 15:44:59 3.050974 0.378134 BFGS: 2061 15:44:59 3.032711 0.378282 BFGS: 2062 15:44:59 3.014491 0.378414 BFGS: 2063 15:44:59 2.996313 0.378533 BFGS: 2064 15:44:59 2.978174 0.378643 BFGS: 2065 15:44:59 2.960074 0.378744 BFGS: 2066 15:44:59 2.942010 0.378840 BFGS: 2067 15:44:59 2.923983 0.378932 BFGS: 2068 15:44:59 2.905990 0.379021 BFGS: 2069 15:44:59 2.888038 0.379109 BFGS: 2070 15:44:59 2.870316 0.379171 BFGS: 2071 15:44:59 2.852941 0.379210 BFGS: 2072 15:44:59 2.835863 0.379235 BFGS: 2073 15:44:59 2.819051 0.379236 BFGS: 2074 15:44:59 2.802481 0.379208 BFGS: 2075 15:44:59 2.786132 0.379148 BFGS: 2076 15:44:59 2.769987 0.379053 BFGS: 2077 15:44:59 2.754029 0.378924 BFGS: 2078 15:44:59 2.738244 0.378761 BFGS: 2079 15:44:59 2.722617 0.378565 BFGS: 2080 15:44:59 2.707132 0.378337 BFGS: 2081 15:44:59 2.691776 0.378080 BFGS: 2082 15:44:59 2.676532 0.377794 BFGS: 2083 15:44:59 2.661385 0.377484 BFGS: 2084 15:44:59 2.646318 0.377151 BFGS: 2085 15:44:59 2.631311 0.376797 BFGS: 2086 15:44:59 2.616347 0.376425 BFGS: 2087 15:44:59 2.601403 0.376038 BFGS: 2088 15:44:59 2.586458 0.375638 BFGS: 2089 15:44:59 2.571487 0.375228 BFGS: 2090 15:44:59 2.556462 0.374812 BFGS: 2091 15:44:59 2.541357 0.374391 BFGS: 2092 15:44:59 2.526138 0.373970 BFGS: 2093 15:44:59 2.510771 0.373550 BFGS: 2094 15:44:59 2.495219 0.373137 BFGS: 2095 15:44:59 2.479441 0.372733 BFGS: 2096 15:44:59 2.463391 0.372343 BFGS: 2097 15:44:59 2.447019 0.371971 BFGS: 2098 15:44:59 2.430269 0.371622 BFGS: 2099 15:44:59 2.413080 0.371302 BFGS: 2100 15:44:59 2.395384 0.371018 BFGS: 2101 15:44:59 2.377103 0.370776 BFGS: 2102 15:44:59 2.358151 0.370584 BFGS: 2103 15:44:59 2.338430 0.370454 BFGS: 2104 15:44:59 2.317827 0.370396 BFGS: 2105 15:44:59 2.296213 0.370425 BFGS: 2106 15:44:59 2.273437 0.370558 BFGS: 2107 15:44:59 2.249318 0.370817 BFGS: 2108 15:44:59 2.223642 0.371230 BFGS: 2109 15:44:59 2.196143 0.371834 BFGS: 2110 15:44:59 2.166486 0.372678 BFGS: 2111 15:45:00 2.134235 0.373831 BFGS: 2112 15:45:00 2.098794 0.375395 BFGS: 2113 15:45:00 2.059302 0.377536 BFGS: 2114 15:45:00 2.014395 0.380541 BFGS: 2115 15:45:00 1.969037 0.384311 BFGS: 2116 15:45:00 1.925919 0.388872 BFGS: 2117 15:45:00 1.888634 0.394493 BFGS: 2118 15:45:00 1.860590 0.400175 BFGS: 2119 15:45:00 1.837758 0.403847 BFGS: 2120 15:45:00 1.816366 0.406812 BFGS: 2121 15:45:00 1.795908 0.409365 BFGS: 2122 15:45:00 1.776276 0.411607 BFGS: 2123 15:45:00 1.757410 0.413582 BFGS: 2124 15:45:00 1.739264 0.415312 BFGS: 2125 15:45:00 1.721887 0.416857 BFGS: 2126 15:45:00 1.704883 0.418494 BFGS: 2127 15:45:00 1.688234 0.420195 BFGS: 2128 15:45:00 1.671912 0.421945 BFGS: 2129 15:45:00 1.655872 0.423739 BFGS: 2130 15:45:00 1.640029 0.425575 BFGS: 2131 15:45:00 1.624229 0.427459 BFGS: 2132 15:45:00 1.608156 0.429408 BFGS: 2133 15:45:00 1.591048 0.431468 BFGS: 2134 15:45:00 1.570433 0.433860 BFGS: 2135 15:45:00 1.555138 0.433744 BFGS: 2136 15:45:00 1.540337 0.432476 BFGS: 2137 15:45:00 1.528239 0.431066 BFGS: 2138 15:45:00 1.517158 0.429495 BFGS: 2139 15:45:00 1.506611 0.427885 BFGS: 2140 15:45:00 1.496482 0.426275 BFGS: 2141 15:45:00 1.486729 0.424683 BFGS: 2142 15:45:00 1.477328 0.423115 BFGS: 2143 15:45:00 1.468263 0.421578 BFGS: 2144 15:45:00 1.459515 0.420074 BFGS: 2145 15:45:00 1.451070 0.418605 BFGS: 2146 15:45:00 1.442912 0.417174 BFGS: 2147 15:45:00 1.435027 0.415783 BFGS: 2148 15:45:00 1.427401 0.414434 BFGS: 2149 15:45:00 1.420021 0.413128 BFGS: 2150 15:45:00 1.412873 0.411869 BFGS: 2151 15:45:00 1.405944 0.410658 BFGS: 2152 15:45:00 1.399222 0.409499 BFGS: 2153 15:45:00 1.392694 0.408392 BFGS: 2154 15:45:00 1.386350 0.407340 BFGS: 2155 15:45:00 1.380177 0.406347 BFGS: 2156 15:45:00 1.374163 0.405414 BFGS: 2157 15:45:00 1.368298 0.404543 BFGS: 2158 15:45:00 1.362572 0.403738 BFGS: 2159 15:45:01 1.356972 0.403000 BFGS: 2160 15:45:01 1.351489 0.402333 BFGS: 2161 15:45:01 1.346113 0.401738 BFGS: 2162 15:45:01 1.340833 0.401217 BFGS: 2163 15:45:01 1.335640 0.400775 BFGS: 2164 15:45:01 1.330524 0.400412 BFGS: 2165 15:45:01 1.325476 0.400132 BFGS: 2166 15:45:01 1.320487 0.399937 BFGS: 2167 15:45:01 1.315547 0.399829 BFGS: 2168 15:45:01 1.310650 0.399812 BFGS: 2169 15:45:01 1.305785 0.399887 BFGS: 2170 15:45:01 1.300945 0.400056 BFGS: 2171 15:45:01 1.296123 0.400324 BFGS: 2172 15:45:01 1.291310 0.400691 BFGS: 2173 15:45:01 1.286500 0.401162 BFGS: 2174 15:45:01 1.281685 0.401737 BFGS: 2175 15:45:01 1.276859 0.402420 BFGS: 2176 15:45:01 1.272015 0.403213 BFGS: 2177 15:45:01 1.267148 0.404118 BFGS: 2178 15:45:01 1.262251 0.405140 BFGS: 2179 15:45:01 1.257319 0.406279 BFGS: 2180 15:45:01 1.252347 0.407540 BFGS: 2181 15:45:01 1.247329 0.408924 BFGS: 2182 15:45:01 1.242261 0.410434 BFGS: 2183 15:45:01 1.237137 0.412074 BFGS: 2184 15:45:01 1.231954 0.413847 BFGS: 2185 15:45:01 1.226707 0.415756 BFGS: 2186 15:45:01 1.221392 0.417805 BFGS: 2187 15:45:01 1.216006 0.419996 BFGS: 2188 15:45:01 1.210544 0.422334 BFGS: 2189 15:45:01 1.205003 0.424823 BFGS: 2190 15:45:01 1.199379 0.427468 BFGS: 2191 15:45:01 1.193669 0.430272 BFGS: 2192 15:45:01 1.187869 0.433242 BFGS: 2193 15:45:01 1.181976 0.436381 BFGS: 2194 15:45:01 1.175987 0.439698 BFGS: 2195 15:45:01 1.169897 0.443198 BFGS: 2196 15:45:01 1.163704 0.446888 BFGS: 2197 15:45:01 1.157403 0.450776 BFGS: 2198 15:45:01 1.150990 0.454872 BFGS: 2199 15:45:01 1.144458 0.459174 BFGS: 2200 15:45:01 1.137834 0.463647 BFGS: 2201 15:45:01 1.131116 0.468304 BFGS: 2202 15:45:01 1.124300 0.473160 BFGS: 2203 15:45:02 1.117380 0.478231 BFGS: 2204 15:45:02 1.110350 0.483539 BFGS: 2205 15:45:02 1.103200 0.489109 BFGS: 2206 15:45:02 1.095915 0.494968 BFGS: 2207 15:45:02 1.088392 0.501146 BFGS: 2208 15:45:02 1.080638 0.507531 BFGS: 2209 15:45:02 1.072677 0.514079 BFGS: 2210 15:45:02 1.064482 0.520755 BFGS: 2211 15:45:02 1.056242 0.527389 BFGS: 2212 15:45:02 1.047947 0.533969 BFGS: 2213 15:45:02 1.039571 0.540483 BFGS: 2214 15:45:02 1.031069 0.546919 BFGS: 2215 15:45:02 1.022368 0.553253 BFGS: 2216 15:45:02 1.013348 0.559453 BFGS: 2217 15:45:02 1.003786 0.565462 BFGS: 2218 15:45:02 0.993441 0.571069 BFGS: 2219 15:45:02 0.982251 0.575667 BFGS: 2220 15:45:02 0.971733 0.579222 BFGS: 2221 15:45:02 0.961639 0.581390 BFGS: 2222 15:45:02 0.951406 0.581819 BFGS: 2223 15:45:02 0.941584 0.580988 BFGS: 2224 15:45:02 0.932012 0.578995 BFGS: 2225 15:45:02 0.922487 0.575816 BFGS: 2226 15:45:02 0.912860 0.571409 BFGS: 2227 15:45:02 0.903050 0.565720 BFGS: 2228 15:45:02 0.893395 0.558850 BFGS: 2229 15:45:02 0.884006 0.550984 BFGS: 2230 15:45:02 0.874772 0.542245 BFGS: 2231 15:45:02 0.865616 0.532769 BFGS: 2232 15:45:02 0.856487 0.522695 BFGS: 2233 15:45:02 0.847356 0.512159 BFGS: 2234 15:45:02 0.838212 0.501287 BFGS: 2235 15:45:02 0.829056 0.490191 BFGS: 2236 15:45:02 0.819900 0.478971 BFGS: 2237 15:45:02 0.810755 0.467709 BFGS: 2238 15:45:02 0.801639 0.456477 BFGS: 2239 15:45:02 0.792569 0.445332 BFGS: 2240 15:45:02 0.783564 0.434335 BFGS: 2241 15:45:02 0.774772 0.423713 BFGS: 2242 15:45:02 0.766220 0.413503 BFGS: 2243 15:45:02 0.757888 0.403683 BFGS: 2244 15:45:02 0.749753 0.394232 BFGS: 2245 15:45:02 0.741801 0.385129 BFGS: 2246 15:45:02 0.734016 0.376353 BFGS: 2247 15:45:03 0.726385 0.367884 BFGS: 2248 15:45:03 0.718897 0.359704 BFGS: 2249 15:45:03 0.711540 0.351793 BFGS: 2250 15:45:03 0.704306 0.344135 BFGS: 2251 15:45:03 0.697186 0.336712 BFGS: 2252 15:45:03 0.690172 0.329509 BFGS: 2253 15:45:03 0.683255 0.322511 BFGS: 2254 15:45:03 0.676430 0.315703 BFGS: 2255 15:45:03 0.669690 0.309074 BFGS: 2256 15:45:03 0.663029 0.302611 BFGS: 2257 15:45:03 0.656441 0.296302 BFGS: 2258 15:45:03 0.649921 0.290137 BFGS: 2259 15:45:03 0.643463 0.284106 BFGS: 2260 15:45:03 0.637064 0.278201 BFGS: 2261 15:45:03 0.630719 0.272411 BFGS: 2262 15:45:03 0.624424 0.266731 BFGS: 2263 15:45:03 0.618175 0.261151 BFGS: 2264 15:45:03 0.611969 0.255665 BFGS: 2265 15:45:03 0.605802 0.250268 BFGS: 2266 15:45:03 0.599670 0.244951 BFGS: 2267 15:45:03 0.593572 0.239711 BFGS: 2268 15:45:03 0.587504 0.234542 BFGS: 2269 15:45:03 0.581463 0.229438 BFGS: 2270 15:45:03 0.575447 0.224395 BFGS: 2271 15:45:03 0.569453 0.219409 BFGS: 2272 15:45:03 0.563480 0.216611 BFGS: 2273 15:45:03 0.557525 0.217410 BFGS: 2274 15:45:03 0.551585 0.218107 BFGS: 2275 15:45:03 0.545660 0.218706 BFGS: 2276 15:45:03 0.539746 0.219209 BFGS: 2277 15:45:03 0.533843 0.219620 BFGS: 2278 15:45:03 0.527949 0.219943 BFGS: 2279 15:45:03 0.522061 0.220178 BFGS: 2280 15:45:03 0.516180 0.220306 BFGS: 2281 15:45:03 0.510426 0.220186 BFGS: 2282 15:45:03 0.504774 0.219864 BFGS: 2283 15:45:03 0.499271 0.219391 BFGS: 2284 15:45:03 0.493851 0.218841 BFGS: 2285 15:45:03 0.488495 0.218126 BFGS: 2286 15:45:03 0.483195 0.217220 BFGS: 2287 15:45:03 0.477944 0.216118 BFGS: 2288 15:45:03 0.472743 0.214827 BFGS: 2289 15:45:03 0.467591 0.213356 BFGS: 2290 15:45:03 0.462616 0.211783 BFGS: 2291 15:45:03 0.457830 0.210113 BFGS: 2292 15:45:04 0.453180 0.208316 BFGS: 2293 15:45:04 0.448638 0.206388 BFGS: 2294 15:45:04 0.444184 0.204332 BFGS: 2295 15:45:04 0.439806 0.202157 BFGS: 2296 15:45:04 0.435494 0.199874 BFGS: 2297 15:45:04 0.431243 0.197494 BFGS: 2298 15:45:04 0.427048 0.195026 BFGS: 2299 15:45:04 0.422905 0.192482 BFGS: 2300 15:45:04 0.418811 0.189869 BFGS: 2301 15:45:04 0.414765 0.187197 BFGS: 2302 15:45:04 0.410763 0.184474 BFGS: 2303 15:45:04 0.406805 0.181707 BFGS: 2304 15:45:04 0.402888 0.178902 BFGS: 2305 15:45:04 0.399010 0.176066 BFGS: 2306 15:45:04 0.395171 0.173205 BFGS: 2307 15:45:04 0.391369 0.170324 BFGS: 2308 15:45:04 0.387601 0.167428 BFGS: 2309 15:45:04 0.383867 0.164522 BFGS: 2310 15:45:04 0.380164 0.161608 BFGS: 2311 15:45:04 0.376493 0.158693 BFGS: 2312 15:45:04 0.372849 0.155777 BFGS: 2313 15:45:04 0.369234 0.152865 BFGS: 2314 15:45:04 0.365643 0.149960 BFGS: 2315 15:45:04 0.362077 0.147063 BFGS: 2316 15:45:04 0.358534 0.144177 BFGS: 2317 15:45:04 0.355011 0.141304 BFGS: 2318 15:45:04 0.351508 0.138444 BFGS: 2319 15:45:04 0.348022 0.135601 BFGS: 2320 15:45:04 0.344553 0.132774 BFGS: 2321 15:45:04 0.341099 0.131006 BFGS: 2322 15:45:04 0.337658 0.132117 BFGS: 2323 15:45:04 0.334229 0.133196 BFGS: 2324 15:45:04 0.330811 0.134245 BFGS: 2325 15:45:04 0.327401 0.135261 BFGS: 2326 15:45:04 0.324000 0.136247 BFGS: 2327 15:45:04 0.320605 0.137203 BFGS: 2328 15:45:04 0.317215 0.138128 BFGS: 2329 15:45:04 0.313829 0.139022 BFGS: 2330 15:45:04 0.310434 0.139885 BFGS: 2331 15:45:04 0.307206 0.140734 BFGS: 2332 15:45:04 0.303946 0.141522 BFGS: 2333 15:45:04 0.300621 0.142245 BFGS: 2334 15:45:04 0.297229 0.142907 BFGS: 2335 15:45:04 0.293774 0.143510 BFGS: 2336 15:45:05 0.290259 0.144056 BFGS: 2337 15:45:05 0.286690 0.144550 BFGS: 2338 15:45:05 0.283071 0.144995 BFGS: 2339 15:45:05 0.279404 0.145076 BFGS: 2340 15:45:05 0.275725 0.145035 BFGS: 2341 15:45:05 0.272027 0.144972 BFGS: 2342 15:45:05 0.268640 0.144888 BFGS: 2343 15:45:05 0.264941 0.144638 BFGS: 2344 15:45:05 0.261158 0.144290 BFGS: 2345 15:45:05 0.257328 0.143899 BFGS: 2346 15:45:05 0.253445 0.143490 BFGS: 2347 15:45:05 0.249497 0.143066 BFGS: 2348 15:45:05 0.245470 0.142618 BFGS: 2349 15:45:05 0.241350 0.142135 BFGS: 2350 15:45:05 0.237122 0.141599 BFGS: 2351 15:45:05 0.232771 0.140994 BFGS: 2352 15:45:05 0.228280 0.140303 BFGS: 2353 15:45:05 0.223634 0.139507 BFGS: 2354 15:45:05 0.218820 0.138589 BFGS: 2355 15:45:05 0.213823 0.137295 BFGS: 2356 15:45:05 0.208801 0.135596 BFGS: 2357 15:45:05 0.203853 0.133842 BFGS: 2358 15:45:05 0.198827 0.131963 BFGS: 2359 15:45:05 0.193702 0.129927 BFGS: 2360 15:45:05 0.188468 0.127706 BFGS: 2361 15:45:05 0.183113 0.125274 BFGS: 2362 15:45:05 0.177628 0.122598 BFGS: 2363 15:45:05 0.171942 0.119571 BFGS: 2364 15:45:05 0.166062 0.116130 BFGS: 2365 15:45:05 0.160421 0.112347 BFGS: 2366 15:45:05 0.155080 0.108247 BFGS: 2367 15:45:05 0.149816 0.103784 BFGS: 2368 15:45:05 0.144470 0.098971 BFGS: 2369 15:45:05 0.139121 0.094293 BFGS: 2370 15:45:05 0.133931 0.089823 BFGS: 2371 15:45:05 0.128939 0.085544 BFGS: 2372 15:45:05 0.124141 0.081410 BFGS: 2373 15:45:05 0.119519 0.077354 BFGS: 2374 15:45:05 0.115032 0.073271 BFGS: 2375 15:45:05 0.110796 0.069186 BFGS: 2376 15:45:05 0.107281 0.065084 BFGS: 2377 15:45:05 0.104255 0.060964 BFGS: 2378 15:45:05 0.101574 0.057562 BFGS: 2379 15:45:05 0.099153 0.057202 BFGS: 2380 15:45:06 0.096939 0.056756 BFGS: 2381 15:45:06 0.094898 0.056241 BFGS: 2382 15:45:06 0.092985 0.055716 BFGS: 2383 15:45:06 0.090863 0.055510 BFGS: 2384 15:45:06 0.088783 0.056852 BFGS: 2385 15:45:06 0.086823 0.058086 BFGS: 2386 15:45:06 0.084986 0.059157 BFGS: 2387 15:45:06 0.083252 0.060060 BFGS: 2388 15:45:06 0.081596 0.060801 BFGS: 2389 15:45:06 0.079996 0.061391 BFGS: 2390 15:45:06 0.078534 0.061805 BFGS: 2391 15:45:06 0.077053 0.061778 BFGS: 2392 15:45:06 0.075415 0.061452 BFGS: 2393 15:45:06 0.073550 0.060855 BFGS: 2394 15:45:06 0.071416 0.059989 BFGS: 2395 15:45:06 0.069006 0.058850 BFGS: 2396 15:45:06 0.066301 0.057435 BFGS: 2397 15:45:06 0.063287 0.055706 BFGS: 2398 15:45:06 0.059947 0.053617 BFGS: 2399 15:45:06 0.056321 0.055089 BFGS: 2400 15:45:06 0.052421 0.060905 BFGS: 2401 15:45:06 0.048257 0.067175 BFGS: 2402 15:45:06 0.043846 0.073935 BFGS: 2403 15:45:06 0.039204 0.079794 BFGS: 2404 15:45:06 0.034284 0.080442 BFGS: 2405 15:45:06 0.029153 0.080466 BFGS: 2406 15:45:06 0.025773 0.081313 BFGS: 2407 15:45:06 0.022227 0.082190 BFGS: 2408 15:45:06 0.018534 0.080667 BFGS: 2409 15:45:06 0.012468 0.072845 BFGS: 2410 15:45:06 0.010083 0.044567 BFGS: 2411 15:45:06 0.009064 0.038228 BFGS: 2412 15:45:06 0.007934 0.031812 BFGS: 2413 15:45:06 0.007016 0.026170 BFGS: 2414 15:45:06 0.006292 0.025460 BFGS: 2415 15:45:06 0.005731 0.024613 BFGS: 2416 15:45:06 0.005318 0.025372 BFGS: 2417 15:45:06 0.005076 0.028946 BFGS: 2418 15:45:06 0.004902 0.031735 BFGS: 2419 15:45:06 0.004708 0.033165 BFGS: 2420 15:45:06 0.004483 0.033551 BFGS: 2421 15:45:06 0.004234 0.033081 BFGS: 2422 15:45:06 0.003977 0.031864 BFGS: 2423 15:45:06 0.003730 0.029983 BFGS: 2424 15:45:06 0.003503 0.027508 BFGS: 2425 15:45:06 0.003296 0.024507 BFGS: 2426 15:45:06 0.003107 0.021603 BFGS: 2427 15:45:06 0.002933 0.019103 BFGS: 2428 15:45:06 0.002761 0.018292 BFGS: 2429 15:45:06 0.002588 0.017614 BFGS: 2430 15:45:06 0.002413 0.016941 BFGS: 2431 15:45:06 0.002237 0.016278 BFGS: 2432 15:45:06 0.002063 0.015624 BFGS: 2433 15:45:06 0.001890 0.014981 BFGS: 2434 15:45:06 0.001726 0.014316 BFGS: 2435 15:45:06 0.001573 0.013666 BFGS: 2436 15:45:07 0.001428 0.013039 BFGS: 2437 15:45:07 0.001292 0.012429 BFGS: 2438 15:45:07 0.001163 0.011833 BFGS: 2439 15:45:07 0.001041 0.011244 BFGS: 2440 15:45:07 0.000927 0.010659 BFGS: 2441 15:45:07 0.000818 0.010077 BFGS: 2442 15:45:07 0.000717 0.009495 BFGS: 2443 15:45:07 0.000622 0.008911 BFGS: 2444 15:45:07 0.000533 0.008323 BFGS: 2445 15:45:07 0.000451 0.007732 BFGS: 2446 15:45:07 0.000375 0.007135 BFGS: 2447 15:45:07 0.000306 0.006532 BFGS: 2448 15:45:07 0.000244 0.005890 BFGS: 2449 15:45:07 0.000190 0.005231 BFGS: 2450 15:45:07 0.000142 0.004564 BFGS: 2451 15:45:07 0.000101 0.003890 BFGS: 2452 15:45:07 0.000067 0.003208 BFGS: 2453 15:45:07 0.000040 0.002520 BFGS: 2454 15:45:07 0.000020 0.001822 BFGS: 2455 15:45:07 0.000007 0.001116 BFGS: 2456 15:45:07 0.000001 0.000397 BFGS: 2457 15:45:07 0.000000 0.000054 BFGS: 2458 15:45:07 0.000000 0.000036 BFGS: 2459 15:45:07 0.000000 0.000017 BFGS: 2460 15:45:07 0.000000 0.000006 BFGS: 2461 15:45:07 0.000000 0.000000 Minimization converged after 2461 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 0.0 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 0.18774739] [0.66666666 0.33333334 0.81225261] [0.33333333 0.66666667 0.03324105] [0.66666666 0.33333334 0.96675895] [0.19931586 0.80068414 0.08827953] [0.19931586 0.39863173 0.08827953] [0.60136827 0.80068414 0.08827953] [0.80068414 0.19931586 0.91172047] [0.39863172 0.19931586 0.91172047] [0.80068414 0.60136828 0.91172047] [0.08301824 0.91698176 0.25190663] [0.08301824 0.16603648 0.25190663] [0.83396352 0.91698176 0.25190663] [0.91698176 0.08301824 0.74809337] [0.16603647 0.08301824 0.74809337] [0.91698176 0.83396353 0.74809337] [0.24457797 0.75542203 0.31251609] [0.24457797 0.48915594 0.31251609] [0.51084406 0.75542203 0.31251609] [0.75542203 0.24457797 0.68748391] [0.48915593 0.24457797 0.68748391] [0.75542203 0.51084407 0.68748391] [0.66658308 0.08411006 0.56158312] [0.91588994 0.58247302 0.56158312] [0.41752698 0.33341692 0.56158312] [0.08411006 0.66658308 0.43841688] [0.58247302 0.91588994 0.43841688] [0.33341692 0.41752698 0.43841688] [0.33341692 0.91588994 0.43841688] [0.08411006 0.41752698 0.43841688] [0.58247302 0.66658308 0.43841688] [0.91588994 0.33341692 0.56158312] [0.41752698 0.08411006 0.56158312] [0.66658308 0.58247302 0.56158312] [0.66335393 0.60731514 0.26619944] [0.39268486 0.0560388 0.26619944] [0.9439612 0.33664607 0.26619944] [0.60731514 0.66335394 0.73380056] [0.05603879 0.39268486 0.73380056] [0.33664606 0.94396121 0.73380056] [0.33664606 0.39268486 0.73380056] [0.60731514 0.94396121 0.73380056] [0.05603879 0.66335394 0.73380056] [0.39268486 0.33664607 0.26619944] [0.9439612 0.60731514 0.26619944] [0.66335393 0.0560388 0.26619944] [0.66234498 0.07175442 0.06579682] [0.92824558 0.59059057 0.06579682] [0.40940943 0.33765502 0.06579682] [0.07175441 0.66234499 0.93420318] [0.59059057 0.92824559 0.93420318] [0.33765501 0.40940943 0.93420318] [0.33765501 0.92824559 0.93420318] [0.07175441 0.40940943 0.93420318] [0.59059057 0.66234499 0.93420318] [0.92824558 0.33765502 0.06579682] [0.40940943 0.07175442 0.06579682] [0.66234498 0.59059057 0.06579682]] cellpar = Cell([[29.511740863664702, -1.3023158694079143e-16, 8.86649150070701e-36], [-14.755870431832351, 25.55791729783694, 1.3340600528041735e-35], [1.6850143821055198e-36, 1.7964702425451357e-35, 48.40392358425265]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [0. 0. 0. 0. 0. 0.] 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