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_NakanoKaliaVashishta_1994_SiO__SM_503555646986_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 10:53:52 962.808030 20.986098 BFGS: 1 10:53:52 958.858629 20.890006 BFGS: 2 10:53:53 955.033276 20.800927 BFGS: 3 10:53:53 951.300697 20.712405 BFGS: 4 10:53:53 947.642410 20.625572 BFGS: 5 10:53:53 944.045685 20.540803 BFGS: 6 10:53:53 940.500372 20.458448 BFGS: 7 10:53:54 936.996891 20.377082 BFGS: 8 10:53:54 933.529622 20.295865 BFGS: 9 10:53:54 930.095340 20.214830 BFGS: 10 10:53:54 926.691465 20.133995 BFGS: 11 10:53:55 923.315886 20.053375 BFGS: 12 10:53:55 919.966688 19.973920 BFGS: 13 10:53:55 916.640665 19.895302 BFGS: 14 10:53:56 913.336156 19.817008 BFGS: 15 10:53:56 910.050886 19.739133 BFGS: 16 10:53:56 906.783415 19.662656 BFGS: 17 10:53:56 903.533318 19.586429 BFGS: 18 10:53:56 900.299737 19.512197 BFGS: 19 10:53:57 897.081754 19.439571 BFGS: 20 10:53:57 893.878193 19.367302 BFGS: 21 10:53:57 890.688239 19.295309 BFGS: 22 10:53:57 887.511134 19.225328 BFGS: 23 10:53:58 884.346531 19.155543 BFGS: 24 10:53:58 881.193615 19.085921 BFGS: 25 10:53:58 878.051604 19.016480 BFGS: 26 10:53:58 874.919736 18.947233 BFGS: 27 10:53:58 871.797255 18.878188 BFGS: 28 10:53:59 868.683393 18.809348 BFGS: 29 10:53:59 865.577368 18.740714 BFGS: 30 10:53:59 862.478373 18.672284 BFGS: 31 10:54:00 859.385582 18.604054 BFGS: 32 10:54:00 856.300100 18.536747 BFGS: 33 10:54:00 853.220680 18.470537 BFGS: 34 10:54:01 850.145452 18.404589 BFGS: 35 10:54:01 847.073283 18.338885 BFGS: 36 10:54:02 844.003089 18.274847 BFGS: 37 10:54:02 840.933865 18.211280 BFGS: 38 10:54:02 837.864716 18.147651 BFGS: 39 10:54:02 834.794884 18.083934 BFGS: 40 10:54:03 831.723770 18.020104 BFGS: 41 10:54:03 828.650950 17.956137 BFGS: 42 10:54:03 825.576169 17.892012 BFGS: 43 10:54:03 822.499334 17.827708 BFGS: 44 10:54:04 819.420484 17.763210 BFGS: 45 10:54:04 816.339760 17.698500 BFGS: 46 10:54:04 813.257362 17.633953 BFGS: 47 10:54:04 810.174628 17.569351 BFGS: 48 10:54:05 807.092087 17.504513 BFGS: 49 10:54:05 804.010150 17.439432 BFGS: 50 10:54:05 800.929099 17.374063 BFGS: 51 10:54:05 797.849182 17.311402 BFGS: 52 10:54:05 794.770808 17.250996 BFGS: 53 10:54:06 791.694644 17.191327 BFGS: 54 10:54:06 788.621398 17.131803 BFGS: 55 10:54:06 785.551621 17.072416 BFGS: 56 10:54:06 782.485874 17.013163 BFGS: 57 10:54:07 779.424727 16.954043 BFGS: 58 10:54:07 776.368757 16.895056 BFGS: 59 10:54:07 773.318544 16.836202 BFGS: 60 10:54:07 770.274658 16.777922 BFGS: 61 10:54:08 767.237694 16.721061 BFGS: 62 10:54:08 764.208509 16.664376 BFGS: 63 10:54:08 761.187656 16.607858 BFGS: 64 10:54:08 758.175681 16.551504 BFGS: 65 10:54:08 755.173121 16.495309 BFGS: 66 10:54:09 752.180504 16.439274 BFGS: 67 10:54:09 749.198388 16.383456 BFGS: 68 10:54:09 746.226698 16.327796 BFGS: 69 10:54:09 743.265886 16.272702 BFGS: 70 10:54:10 740.316428 16.218808 BFGS: 71 10:54:10 737.379032 16.165059 BFGS: 72 10:54:10 734.454139 16.111458 BFGS: 73 10:54:10 731.542172 16.058010 BFGS: 74 10:54:11 728.643537 16.004716 BFGS: 75 10:54:11 725.758617 15.951577 BFGS: 76 10:54:11 722.887778 15.898598 BFGS: 77 10:54:11 720.031364 15.845779 BFGS: 78 10:54:11 717.189699 15.793123 BFGS: 79 10:54:12 714.363086 15.740631 BFGS: 80 10:54:12 711.551808 15.688306 BFGS: 81 10:54:12 708.756125 15.636150 BFGS: 82 10:54:12 705.976275 15.584163 BFGS: 83 10:54:12 703.212476 15.532349 BFGS: 84 10:54:13 700.464920 15.480709 BFGS: 85 10:54:13 697.733778 15.429244 BFGS: 86 10:54:13 695.019197 15.377955 BFGS: 87 10:54:13 692.321299 15.326845 BFGS: 88 10:54:13 689.640184 15.275913 BFGS: 89 10:54:13 686.975925 15.225162 BFGS: 90 10:54:14 684.328570 15.174736 BFGS: 91 10:54:14 681.698124 15.125315 BFGS: 92 10:54:14 679.084771 15.076086 BFGS: 93 10:54:14 676.488480 15.027049 BFGS: 94 10:54:14 673.909192 14.978200 BFGS: 95 10:54:14 671.346825 14.929538 BFGS: 96 10:54:15 668.801268 14.881061 BFGS: 97 10:54:15 666.272381 14.833278 BFGS: 98 10:54:15 663.759962 14.786379 BFGS: 99 10:54:15 661.263980 14.739684 BFGS: 100 10:54:15 658.784211 14.693194 BFGS: 101 10:54:15 656.320413 14.646906 BFGS: 102 10:54:16 653.872325 14.600820 BFGS: 103 10:54:16 651.439665 14.554932 BFGS: 104 10:54:16 649.022135 14.509240 BFGS: 105 10:54:16 646.619419 14.463738 BFGS: 106 10:54:16 644.231187 14.418422 BFGS: 107 10:54:16 641.857091 14.373287 BFGS: 108 10:54:17 639.496787 14.328325 BFGS: 109 10:54:17 637.149912 14.283528 BFGS: 110 10:54:17 634.816094 14.238889 BFGS: 111 10:54:17 632.494849 14.195176 BFGS: 112 10:54:17 630.185958 14.152986 BFGS: 113 10:54:17 627.889057 14.112194 BFGS: 114 10:54:17 625.601527 14.072534 BFGS: 115 10:54:18 623.322270 14.033014 BFGS: 116 10:54:18 621.051084 13.993610 BFGS: 117 10:54:18 618.787788 13.954300 BFGS: 118 10:54:18 616.532220 13.915066 BFGS: 119 10:54:18 614.284233 13.875891 BFGS: 120 10:54:18 612.043696 13.836762 BFGS: 121 10:54:19 609.810495 13.797664 BFGS: 122 10:54:19 607.584530 13.758584 BFGS: 123 10:54:19 605.365722 13.719512 BFGS: 124 10:54:19 603.153702 13.680856 BFGS: 125 10:54:19 600.945633 13.642268 BFGS: 126 10:54:19 598.741109 13.603666 BFGS: 127 10:54:20 596.540200 13.565043 BFGS: 128 10:54:20 594.343024 13.526392 BFGS: 129 10:54:20 592.149737 13.487705 BFGS: 130 10:54:20 589.960536 13.448975 BFGS: 131 10:54:20 587.775644 13.410193 BFGS: 132 10:54:20 585.595317 13.371353 BFGS: 133 10:54:20 583.419837 13.332448 BFGS: 134 10:54:21 581.249511 13.293473 BFGS: 135 10:54:21 579.084671 13.254423 BFGS: 136 10:54:21 576.925672 13.215294 BFGS: 137 10:54:21 574.772889 13.176083 BFGS: 138 10:54:21 572.626718 13.136788 BFGS: 139 10:54:21 570.487570 13.097409 BFGS: 140 10:54:22 568.355750 13.058075 BFGS: 141 10:54:22 566.230496 13.018749 BFGS: 142 10:54:22 564.111773 12.979358 BFGS: 143 10:54:22 562.000049 12.939898 BFGS: 144 10:54:22 559.895810 12.900369 BFGS: 145 10:54:22 557.799554 12.860771 BFGS: 146 10:54:23 555.711781 12.821106 BFGS: 147 10:54:23 553.632460 12.782776 BFGS: 148 10:54:23 551.559452 12.744805 BFGS: 149 10:54:23 549.492821 12.706836 BFGS: 150 10:54:23 547.433093 12.668861 BFGS: 151 10:54:23 545.380811 12.630873 BFGS: 152 10:54:23 543.336477 12.592996 BFGS: 153 10:54:24 541.298739 12.555505 BFGS: 154 10:54:24 539.265367 12.517956 BFGS: 155 10:54:24 537.236911 12.480357 BFGS: 156 10:54:24 535.213953 12.442719 BFGS: 157 10:54:24 533.197217 12.405412 BFGS: 158 10:54:24 531.188315 12.368620 BFGS: 159 10:54:25 529.188021 12.331829 BFGS: 160 10:54:25 527.196937 12.295047 BFGS: 161 10:54:25 525.215649 12.258282 BFGS: 162 10:54:25 523.244717 12.221542 BFGS: 163 10:54:25 521.284663 12.184835 BFGS: 164 10:54:25 519.335960 12.148167 BFGS: 165 10:54:26 517.399029 12.111545 BFGS: 166 10:54:26 515.474235 12.074976 BFGS: 167 10:54:26 513.561877 12.038463 BFGS: 168 10:54:26 511.662194 12.002010 BFGS: 169 10:54:26 509.775358 11.965621 BFGS: 170 10:54:26 507.901478 11.929298 BFGS: 171 10:54:26 506.040601 11.893041 BFGS: 172 10:54:27 504.192711 11.856852 BFGS: 173 10:54:27 502.357737 11.820728 BFGS: 174 10:54:27 500.535551 11.784670 BFGS: 175 10:54:27 498.725974 11.748674 BFGS: 176 10:54:27 496.928780 11.712737 BFGS: 177 10:54:27 495.143699 11.676856 BFGS: 178 10:54:28 493.370415 11.641200 BFGS: 179 10:54:28 491.608546 11.606229 BFGS: 180 10:54:28 489.857863 11.571245 BFGS: 181 10:54:28 488.117873 11.536250 BFGS: 182 10:54:28 486.388066 11.501247 BFGS: 183 10:54:29 484.667920 11.466281 BFGS: 184 10:54:29 482.956561 11.432054 BFGS: 185 10:54:29 481.253048 11.397808 BFGS: 186 10:54:29 479.556713 11.363533 BFGS: 187 10:54:29 477.866877 11.329218 BFGS: 188 10:54:29 476.182851 11.294852 BFGS: 189 10:54:30 474.503845 11.261277 BFGS: 190 10:54:30 472.827650 11.229427 BFGS: 191 10:54:31 471.152584 11.197450 BFGS: 192 10:54:31 469.478048 11.165324 BFGS: 193 10:54:31 467.803491 11.133155 BFGS: 194 10:54:32 466.128281 11.102413 BFGS: 195 10:54:32 464.452329 11.071475 BFGS: 196 10:54:32 462.776902 11.040285 BFGS: 197 10:54:33 461.101514 11.009030 BFGS: 198 10:54:33 459.426310 10.977911 BFGS: 199 10:54:34 457.751421 10.946782 BFGS: 200 10:54:34 456.076608 10.915437 BFGS: 201 10:54:35 454.401704 10.884020 BFGS: 202 10:54:35 452.727341 10.854174 BFGS: 203 10:54:36 451.054787 10.824117 BFGS: 204 10:54:36 449.383870 10.793848 BFGS: 205 10:54:36 447.714466 10.763362 BFGS: 206 10:54:37 446.046484 10.732656 BFGS: 207 10:54:37 444.379864 10.701724 BFGS: 208 10:54:37 442.714569 10.670564 BFGS: 209 10:54:38 441.050580 10.639171 BFGS: 210 10:54:39 439.387894 10.607541 BFGS: 211 10:54:39 437.726533 10.575825 BFGS: 212 10:54:40 436.066608 10.544006 BFGS: 213 10:54:40 434.408181 10.511925 BFGS: 214 10:54:41 432.751269 10.479584 BFGS: 215 10:54:41 431.095911 10.446984 BFGS: 216 10:54:41 429.442159 10.414126 BFGS: 217 10:54:42 427.790079 10.381010 BFGS: 218 10:54:42 426.139746 10.347636 BFGS: 219 10:54:43 424.491251 10.314004 BFGS: 220 10:54:43 422.844691 10.280115 BFGS: 221 10:54:44 421.200177 10.245968 BFGS: 222 10:54:45 419.557826 10.211565 BFGS: 223 10:54:45 417.917769 10.176905 BFGS: 224 10:54:45 416.280147 10.141991 BFGS: 225 10:54:46 414.645095 10.107077 BFGS: 226 10:54:46 413.012763 10.072393 BFGS: 227 10:54:47 411.383433 10.037429 BFGS: 228 10:54:48 409.757227 10.002193 BFGS: 229 10:54:48 408.134289 9.966696 BFGS: 230 10:54:49 406.514706 9.931758 BFGS: 231 10:54:49 404.898604 9.896677 BFGS: 232 10:54:50 403.286197 9.861369 BFGS: 233 10:54:50 401.677712 9.825838 BFGS: 234 10:54:51 400.073391 9.790089 BFGS: 235 10:54:52 398.473493 9.754128 BFGS: 236 10:54:52 396.878292 9.717962 BFGS: 237 10:54:53 395.288077 9.681597 BFGS: 238 10:54:53 393.703150 9.645043 BFGS: 239 10:54:54 392.123590 9.609685 BFGS: 240 10:54:55 390.548725 9.574331 BFGS: 241 10:54:55 388.978884 9.538809 BFGS: 242 10:54:56 387.414488 9.503125 BFGS: 243 10:54:56 385.855962 9.467284 BFGS: 244 10:54:57 384.303614 9.431420 BFGS: 245 10:54:57 382.756737 9.396465 BFGS: 246 10:54:57 381.215111 9.361521 BFGS: 247 10:54:58 379.679142 9.326504 BFGS: 248 10:54:58 378.149240 9.291415 BFGS: 249 10:54:58 376.625811 9.256257 BFGS: 250 10:54:59 375.109262 9.221033 BFGS: 251 10:54:59 373.600000 9.185749 BFGS: 252 10:55:00 372.098426 9.150411 BFGS: 253 10:55:00 370.604508 9.115026 BFGS: 254 10:55:01 369.117065 9.079572 BFGS: 255 10:55:01 367.636390 9.044053 BFGS: 256 10:55:01 366.162888 9.008480 BFGS: 257 10:55:02 364.696965 8.972863 BFGS: 258 10:55:03 363.238386 8.937782 BFGS: 259 10:55:03 361.782889 8.903058 BFGS: 260 10:55:03 360.329205 8.868240 BFGS: 261 10:55:04 358.877750 8.833345 BFGS: 262 10:55:04 357.428970 8.798388 BFGS: 263 10:55:05 355.983330 8.763383 BFGS: 264 10:55:05 354.541305 8.728342 BFGS: 265 10:55:06 353.103377 8.693276 BFGS: 266 10:55:06 351.670031 8.658196 BFGS: 267 10:55:07 350.241745 8.623111 BFGS: 268 10:55:07 348.818993 8.588031 BFGS: 269 10:55:07 347.402239 8.552962 BFGS: 270 10:55:08 345.991935 8.517913 BFGS: 271 10:55:08 344.588518 8.482890 BFGS: 272 10:55:08 343.192411 8.447898 BFGS: 273 10:55:08 341.804019 8.412944 BFGS: 274 10:55:09 340.423708 8.378418 BFGS: 275 10:55:09 339.051797 8.343972 BFGS: 276 10:55:09 337.688648 8.309573 BFGS: 277 10:55:10 336.334602 8.275224 BFGS: 278 10:55:10 334.989977 8.240926 BFGS: 279 10:55:10 333.655070 8.206684 BFGS: 280 10:55:10 332.330109 8.173358 BFGS: 281 10:55:10 331.015215 8.141035 BFGS: 282 10:55:11 329.710686 8.108755 BFGS: 283 10:55:11 328.416625 8.076524 BFGS: 284 10:55:11 327.133131 8.044347 BFGS: 285 10:55:11 325.860293 8.012228 BFGS: 286 10:55:12 324.598191 7.980168 BFGS: 287 10:55:12 323.346892 7.948171 BFGS: 288 10:55:12 322.106452 7.916238 BFGS: 289 10:55:12 320.876914 7.884368 BFGS: 290 10:55:13 319.658307 7.852562 BFGS: 291 10:55:13 318.452922 7.822729 BFGS: 292 10:55:13 317.265826 7.793139 BFGS: 293 10:55:13 316.096593 7.763491 BFGS: 294 10:55:14 314.944611 7.733797 BFGS: 295 10:55:14 313.809312 7.704067 BFGS: 296 10:55:14 312.690165 7.674308 BFGS: 297 10:55:14 311.586665 7.644528 BFGS: 298 10:55:14 310.498331 7.614730 BFGS: 299 10:55:15 309.424700 7.584919 BFGS: 300 10:55:15 308.365435 7.556191 BFGS: 301 10:55:15 307.320759 7.528203 BFGS: 302 10:55:15 306.290363 7.500208 BFGS: 303 10:55:16 305.273767 7.472685 BFGS: 304 10:55:16 304.270624 7.445349 BFGS: 305 10:55:16 303.280481 7.417953 BFGS: 306 10:55:16 302.302850 7.390498 BFGS: 307 10:55:17 301.337263 7.362985 BFGS: 308 10:55:17 300.383269 7.335413 BFGS: 309 10:55:17 299.440435 7.307782 BFGS: 310 10:55:17 298.508345 7.280092 BFGS: 311 10:55:17 297.586595 7.252384 BFGS: 312 10:55:18 296.674801 7.224639 BFGS: 313 10:55:18 295.772588 7.196828 BFGS: 314 10:55:18 294.879590 7.168950 BFGS: 315 10:55:18 293.995450 7.141005 BFGS: 316 10:55:19 293.119825 7.112991 BFGS: 317 10:55:19 292.252377 7.084906 BFGS: 318 10:55:19 291.392782 7.056749 BFGS: 319 10:55:19 290.540616 7.028620 BFGS: 320 10:55:19 289.695418 7.000535 BFGS: 321 10:55:20 288.856861 6.972361 BFGS: 322 10:55:20 288.024559 6.944594 BFGS: 323 10:55:20 287.197678 6.917960 BFGS: 324 10:55:20 286.372582 6.892198 BFGS: 325 10:55:20 285.548303 6.866338 BFGS: 326 10:55:20 284.724575 6.840370 BFGS: 327 10:55:21 283.901152 6.814286 BFGS: 328 10:55:21 283.077804 6.788077 BFGS: 329 10:55:21 282.254314 6.761734 BFGS: 330 10:55:21 281.430477 6.735250 BFGS: 331 10:55:21 280.606101 6.708877 BFGS: 332 10:55:22 279.781202 6.683527 BFGS: 333 10:55:22 278.955741 6.658599 BFGS: 334 10:55:22 278.130126 6.650837 BFGS: 335 10:55:22 277.305722 6.642796 BFGS: 336 10:55:22 276.482389 6.634470 BFGS: 337 10:55:22 275.659559 6.626059 BFGS: 338 10:55:23 274.837251 6.618749 BFGS: 339 10:55:23 274.015714 6.611278 BFGS: 340 10:55:23 273.194733 6.603624 BFGS: 341 10:55:23 272.374128 6.595771 BFGS: 342 10:55:23 271.553734 6.587703 BFGS: 343 10:55:23 270.733220 6.579411 BFGS: 344 10:55:24 269.912408 6.570901 BFGS: 345 10:55:24 269.091196 6.562154 BFGS: 346 10:55:24 268.269499 6.553162 BFGS: 347 10:55:24 267.447254 6.543933 BFGS: 348 10:55:24 266.624250 6.535213 BFGS: 349 10:55:24 265.800333 6.526358 BFGS: 350 10:55:25 264.975508 6.517228 BFGS: 351 10:55:25 264.149774 6.507799 BFGS: 352 10:55:25 263.323150 6.498048 BFGS: 353 10:55:25 262.495665 6.487959 BFGS: 354 10:55:25 261.667363 6.477515 BFGS: 355 10:55:26 260.838293 6.466704 BFGS: 356 10:55:26 260.008515 6.455513 BFGS: 357 10:55:26 259.178094 6.443933 BFGS: 358 10:55:26 258.347102 6.431953 BFGS: 359 10:55:26 257.515615 6.419566 BFGS: 360 10:55:27 256.683717 6.406765 BFGS: 361 10:55:27 255.851496 6.393543 BFGS: 362 10:55:27 255.019046 6.379896 BFGS: 363 10:55:27 254.186467 6.365818 BFGS: 364 10:55:27 253.353865 6.351306 BFGS: 365 10:55:27 252.521350 6.336356 BFGS: 366 10:55:28 251.689040 6.320964 BFGS: 367 10:55:28 250.857058 6.305129 BFGS: 368 10:55:28 250.025533 6.288849 BFGS: 369 10:55:28 249.194598 6.272121 BFGS: 370 10:55:28 248.364330 6.255847 BFGS: 371 10:55:28 247.534840 6.239141 BFGS: 372 10:55:29 246.706263 6.221995 BFGS: 373 10:55:29 245.878741 6.204406 BFGS: 374 10:55:29 245.052421 6.186374 BFGS: 375 10:55:29 244.227452 6.167898 BFGS: 376 10:55:29 243.403990 6.148978 BFGS: 377 10:55:29 242.582191 6.129614 BFGS: 378 10:55:30 241.761933 6.109808 BFGS: 379 10:55:30 240.941254 6.089520 BFGS: 380 10:55:30 240.119281 6.074344 BFGS: 381 10:55:30 239.294965 6.059390 BFGS: 382 10:55:30 238.468339 6.044086 BFGS: 383 10:55:31 237.639416 6.028457 BFGS: 384 10:55:31 236.807916 6.012560 BFGS: 385 10:55:31 235.963932 5.997558 BFGS: 386 10:55:31 235.102008 5.984660 BFGS: 387 10:55:31 234.223737 5.972820 BFGS: 388 10:55:31 233.334409 5.961149 BFGS: 389 10:55:32 232.435087 5.951157 BFGS: 390 10:55:32 231.522662 5.941653 BFGS: 391 10:55:32 230.598690 5.932071 BFGS: 392 10:55:32 229.664411 5.923782 BFGS: 393 10:55:32 228.723298 5.914784 BFGS: 394 10:55:32 227.773258 5.905244 BFGS: 395 10:55:32 226.813861 5.895173 BFGS: 396 10:55:33 225.844975 5.884545 BFGS: 397 10:55:33 224.866479 5.873333 BFGS: 398 10:55:33 223.878167 5.861897 BFGS: 399 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10:56:28 64.278948 2.135664 BFGS: 735 10:56:28 63.954853 2.131359 BFGS: 736 10:56:28 63.629159 2.126988 BFGS: 737 10:56:28 63.301918 2.122549 BFGS: 738 10:56:29 62.973184 2.118042 BFGS: 739 10:56:29 62.643005 2.113465 BFGS: 740 10:56:29 62.311429 2.108816 BFGS: 741 10:56:29 61.978498 2.104093 BFGS: 742 10:56:29 61.644248 2.099293 BFGS: 743 10:56:30 61.308704 2.094414 BFGS: 744 10:56:30 60.971876 2.089453 BFGS: 745 10:56:30 60.633753 2.084407 BFGS: 746 10:56:30 60.294283 2.079274 BFGS: 747 10:56:30 59.953344 2.074052 BFGS: 748 10:56:30 59.610667 2.068739 BFGS: 749 10:56:30 59.265620 2.063337 BFGS: 750 10:56:31 58.916668 2.057852 BFGS: 751 10:56:31 58.561321 2.052271 BFGS: 752 10:56:31 58.201520 2.046599 BFGS: 753 10:56:31 57.842763 2.040881 BFGS: 754 10:56:31 57.484854 2.035105 BFGS: 755 10:56:32 57.127564 2.029280 BFGS: 756 10:56:32 56.770732 2.023302 BFGS: 757 10:56:32 56.414468 2.017205 BFGS: 758 10:56:32 56.058914 2.010992 BFGS: 759 10:56:32 55.704196 2.004667 BFGS: 760 10:56:32 55.350464 1.998232 BFGS: 761 10:56:33 54.997909 1.991699 BFGS: 762 10:56:33 54.646788 1.985086 BFGS: 763 10:56:33 54.297482 1.978427 BFGS: 764 10:56:33 53.950536 1.971783 BFGS: 765 10:56:33 53.606460 1.965223 BFGS: 766 10:56:33 53.265279 1.958777 BFGS: 767 10:56:34 52.926581 1.952421 BFGS: 768 10:56:34 52.589896 1.946115 BFGS: 769 10:56:34 52.254890 1.939816 BFGS: 770 10:56:34 51.921399 1.933497 BFGS: 771 10:56:34 51.589401 1.927136 BFGS: 772 10:56:34 51.258990 1.920726 BFGS: 773 10:56:35 50.930400 1.914268 BFGS: 774 10:56:35 50.605938 1.907872 BFGS: 775 10:56:35 50.283530 1.901331 BFGS: 776 10:56:35 49.962626 1.894618 BFGS: 777 10:56:35 49.642634 1.887708 BFGS: 778 10:56:36 49.322943 1.880578 BFGS: 779 10:56:36 49.005084 1.873255 BFGS: 780 10:56:36 48.689456 1.865745 BFGS: 781 10:56:36 48.375707 1.858055 BFGS: 782 10:56:36 48.081873 1.854009 BFGS: 783 10:56:36 47.783850 1.849985 BFGS: 784 10:56:36 47.487900 1.844532 BFGS: 785 10:56:37 47.198276 1.838644 BFGS: 786 10:56:37 46.916980 1.832599 BFGS: 787 10:56:37 46.644467 1.826512 BFGS: 788 10:56:37 46.380741 1.820428 BFGS: 789 10:56:37 46.125584 1.814368 BFGS: 790 10:56:38 45.878691 1.808340 BFGS: 791 10:56:38 45.639709 1.802482 BFGS: 792 10:56:38 45.406486 1.798416 BFGS: 793 10:56:38 45.173525 1.794253 BFGS: 794 10:56:38 44.941203 1.790025 BFGS: 795 10:56:38 44.709859 1.785740 BFGS: 796 10:56:39 44.479699 1.781405 BFGS: 797 10:56:39 44.250848 1.777022 BFGS: 798 10:56:39 44.023376 1.772595 BFGS: 799 10:56:39 43.797314 1.768122 BFGS: 800 10:56:39 43.572667 1.763606 BFGS: 801 10:56:39 43.349424 1.759046 BFGS: 802 10:56:40 43.128183 1.754449 BFGS: 803 10:56:40 42.913818 1.750123 BFGS: 804 10:56:40 42.703667 1.745795 BFGS: 805 10:56:40 42.496787 1.741431 BFGS: 806 10:56:40 42.292820 1.737023 BFGS: 807 10:56:40 42.091584 1.732574 BFGS: 808 10:56:41 41.892974 1.728087 BFGS: 809 10:56:41 41.696922 1.723563 BFGS: 810 10:56:41 41.503382 1.719005 BFGS: 811 10:56:41 41.312319 1.714415 BFGS: 812 10:56:41 41.123708 1.709793 BFGS: 813 10:56:41 40.937530 1.705240 BFGS: 814 10:56:42 40.755337 1.703435 BFGS: 815 10:56:42 40.573837 1.700409 BFGS: 816 10:56:42 40.397126 1.697116 BFGS: 817 10:56:42 40.225329 1.693714 BFGS: 818 10:56:42 40.058176 1.690232 BFGS: 819 10:56:42 39.895411 1.686685 BFGS: 820 10:56:43 39.736820 1.683080 BFGS: 821 10:56:43 39.582219 1.679423 BFGS: 822 10:56:43 39.431449 1.675718 BFGS: 823 10:56:43 39.284368 1.671968 BFGS: 824 10:56:43 39.140844 1.668175 BFGS: 825 10:56:43 39.000758 1.664342 BFGS: 826 10:56:44 38.863998 1.660546 BFGS: 827 10:56:44 38.729962 1.658184 BFGS: 828 10:56:44 38.597982 1.655931 BFGS: 829 10:56:44 38.468290 1.653640 BFGS: 830 10:56:44 38.340664 1.651345 BFGS: 831 10:56:44 38.214934 1.649040 BFGS: 832 10:56:45 38.090967 1.646725 BFGS: 833 10:56:45 37.968658 1.644398 BFGS: 834 10:56:45 37.847913 1.642061 BFGS: 835 10:56:45 37.728647 1.639712 BFGS: 836 10:56:45 37.610781 1.637352 BFGS: 837 10:56:46 37.494241 1.634981 BFGS: 838 10:56:46 37.378953 1.632601 BFGS: 839 10:56:46 37.264848 1.630210 BFGS: 840 10:56:46 37.151855 1.627810 BFGS: 841 10:56:46 37.039907 1.625400 BFGS: 842 10:56:46 36.928937 1.622980 BFGS: 843 10:56:47 36.818877 1.620552 BFGS: 844 10:56:47 36.709661 1.618114 BFGS: 845 10:56:47 36.601223 1.615666 BFGS: 846 10:56:47 36.493497 1.613209 BFGS: 847 10:56:47 36.386416 1.610743 BFGS: 848 10:56:47 36.279913 1.608265 BFGS: 849 10:56:48 36.173922 1.605777 BFGS: 850 10:56:48 36.068377 1.603278 BFGS: 851 10:56:48 35.963210 1.600766 BFGS: 852 10:56:48 35.858354 1.598240 BFGS: 853 10:56:48 35.753741 1.595700 BFGS: 854 10:56:48 35.649305 1.593142 BFGS: 855 10:56:49 35.544980 1.590565 BFGS: 856 10:56:49 35.440699 1.587963 BFGS: 857 10:56:49 35.347149 1.582920 BFGS: 858 10:56:49 35.241490 1.581434 BFGS: 859 10:56:49 35.134243 1.579317 BFGS: 860 10:56:49 35.025239 1.577379 BFGS: 861 10:56:50 34.914343 1.575373 BFGS: 862 10:56:50 34.801389 1.573335 BFGS: 863 10:56:50 34.686208 1.571235 BFGS: 864 10:56:50 34.568606 1.569059 BFGS: 865 10:56:50 34.448379 1.566788 BFGS: 866 10:56:50 34.325305 1.564407 BFGS: 867 10:56:51 34.199154 1.561899 BFGS: 868 10:56:51 34.069686 1.559247 BFGS: 869 10:56:51 33.936659 1.556436 BFGS: 870 10:56:51 33.799826 1.553446 BFGS: 871 10:56:51 33.658942 1.550262 BFGS: 872 10:56:51 33.513766 1.546866 BFGS: 873 10:56:52 33.364953 1.543698 BFGS: 874 10:56:52 33.221372 1.540247 BFGS: 875 10:56:52 33.082998 1.535516 BFGS: 876 10:56:52 32.948372 1.530406 BFGS: 877 10:56:52 32.816758 1.525124 BFGS: 878 10:56:53 32.687703 1.519729 BFGS: 879 10:56:53 32.560912 1.514244 BFGS: 880 10:56:53 32.436194 1.508680 BFGS: 881 10:56:53 32.313417 1.503046 BFGS: 882 10:56:53 32.192491 1.497346 BFGS: 883 10:56:53 32.073355 1.491585 BFGS: 884 10:56:54 31.955963 1.485767 BFGS: 885 10:56:54 31.840286 1.479893 BFGS: 886 10:56:54 31.726302 1.473967 BFGS: 887 10:56:54 31.613998 1.467992 BFGS: 888 10:56:54 31.503364 1.461969 BFGS: 889 10:56:54 31.394395 1.455901 BFGS: 890 10:56:55 31.287089 1.449791 BFGS: 891 10:56:55 31.181444 1.443641 BFGS: 892 10:56:55 31.077460 1.437454 BFGS: 893 10:56:55 30.975138 1.431231 BFGS: 894 10:56:55 30.874479 1.424975 BFGS: 895 10:56:55 30.775482 1.418689 BFGS: 896 10:56:56 30.678146 1.412375 BFGS: 897 10:56:56 30.582471 1.406036 BFGS: 898 10:56:56 30.488453 1.399674 BFGS: 899 10:56:56 30.396086 1.393292 BFGS: 900 10:56:56 30.305364 1.386892 BFGS: 901 10:56:56 30.216277 1.380478 BFGS: 902 10:56:57 30.128813 1.374051 BFGS: 903 10:56:57 30.042956 1.367614 BFGS: 904 10:56:57 29.958690 1.361171 BFGS: 905 10:56:57 29.875990 1.354723 BFGS: 906 10:56:57 29.794833 1.348273 BFGS: 907 10:56:57 29.715189 1.341823 BFGS: 908 10:56:58 29.637025 1.335377 BFGS: 909 10:56:58 29.560302 1.328937 BFGS: 910 10:56:58 29.484977 1.322505 BFGS: 911 10:56:58 29.411004 1.316084 BFGS: 912 10:56:58 29.338329 1.309675 BFGS: 913 10:56:58 29.266896 1.303283 BFGS: 914 10:56:59 29.196640 1.296908 BFGS: 915 10:56:59 29.127494 1.290554 BFGS: 916 10:56:59 29.059383 1.303819 BFGS: 917 10:56:59 28.992229 1.337919 BFGS: 918 10:56:59 28.925946 1.372676 BFGS: 919 10:57:00 28.860443 1.408042 BFGS: 920 10:57:00 28.795625 1.443966 BFGS: 921 10:57:00 28.731391 1.480395 BFGS: 922 10:57:00 28.667636 1.517277 BFGS: 923 10:57:00 28.604248 1.554555 BFGS: 924 10:57:00 28.541114 1.592173 BFGS: 925 10:57:00 28.477854 1.614713 BFGS: 926 10:57:01 28.414150 1.637657 BFGS: 927 10:57:01 28.350432 1.661104 BFGS: 928 10:57:01 28.286736 1.683816 BFGS: 929 10:57:01 28.222875 1.705160 BFGS: 930 10:57:01 28.158925 1.725873 BFGS: 931 10:57:01 28.094898 1.746185 BFGS: 932 10:57:01 28.030800 1.766191 BFGS: 933 10:57:02 27.966629 1.785948 BFGS: 934 10:57:02 27.902382 1.805490 BFGS: 935 10:57:02 27.838047 1.824840 BFGS: 936 10:57:02 27.773611 1.844009 BFGS: 937 10:57:02 27.709058 1.863005 BFGS: 938 10:57:02 27.644368 1.881831 BFGS: 939 10:57:03 27.579521 1.900486 BFGS: 940 10:57:03 27.514495 1.918970 BFGS: 941 10:57:03 27.449264 1.937278 BFGS: 942 10:57:03 27.383802 1.955405 BFGS: 943 10:57:03 27.318870 2.011194 BFGS: 944 10:57:03 27.253992 2.063890 BFGS: 945 10:57:04 27.188157 2.111027 BFGS: 946 10:57:04 27.121106 2.154206 BFGS: 947 10:57:04 27.052688 2.194068 BFGS: 948 10:57:04 26.982780 2.231084 BFGS: 949 10:57:04 26.911284 2.265592 BFGS: 950 10:57:04 26.838121 2.297837 BFGS: 951 10:57:04 26.763226 2.328009 BFGS: 952 10:57:05 26.686551 2.356251 BFGS: 953 10:57:05 26.608029 2.382680 BFGS: 954 10:57:05 26.527866 2.406698 BFGS: 955 10:57:05 26.446030 2.429136 BFGS: 956 10:57:05 26.362513 2.450115 BFGS: 957 10:57:05 26.277321 2.469667 BFGS: 958 10:57:05 26.190467 2.487830 BFGS: 959 10:57:06 26.101966 2.504643 BFGS: 960 10:57:06 26.011841 2.520145 BFGS: 961 10:57:06 25.919739 2.534374 BFGS: 962 10:57:06 25.825926 2.544906 BFGS: 963 10:57:06 25.730751 2.553206 BFGS: 964 10:57:06 25.634375 2.559977 BFGS: 965 10:57:07 25.537209 2.565778 BFGS: 966 10:57:07 25.438894 2.571177 BFGS: 967 10:57:07 25.339666 2.575821 BFGS: 968 10:57:07 25.239580 2.580013 BFGS: 969 10:57:07 25.138697 2.583769 BFGS: 970 10:57:07 25.037068 2.587098 BFGS: 971 10:57:07 24.934736 2.590005 BFGS: 972 10:57:08 24.831739 2.592496 BFGS: 973 10:57:08 24.727997 2.594578 BFGS: 974 10:57:08 24.623765 2.596029 BFGS: 975 10:57:08 24.518661 2.594472 BFGS: 976 10:57:08 24.412550 2.588553 BFGS: 977 10:57:08 24.305415 2.579370 BFGS: 978 10:57:09 24.197389 2.567866 BFGS: 979 10:57:09 24.088651 2.554719 BFGS: 980 10:57:09 23.979405 2.540373 BFGS: 981 10:57:09 23.869873 2.525123 BFGS: 982 10:57:09 23.760307 2.509179 BFGS: 983 10:57:09 23.650999 2.492704 BFGS: 984 10:57:10 23.542314 2.475839 BFGS: 985 10:57:10 23.434783 2.458737 BFGS: 986 10:57:10 23.329348 2.441655 BFGS: 987 10:57:10 23.227226 2.425149 BFGS: 988 10:57:10 23.128525 2.409638 BFGS: 989 10:57:10 23.033141 2.395096 BFGS: 990 10:57:11 22.692849 2.322539 BFGS: 991 10:57:11 22.602894 2.311464 BFGS: 992 10:57:11 22.516807 2.301721 BFGS: 993 10:57:11 22.432455 2.292206 BFGS: 994 10:57:11 22.349163 2.282771 BFGS: 995 10:57:11 22.266641 2.273352 BFGS: 996 10:57:12 22.184709 2.263930 BFGS: 997 10:57:12 22.103234 2.254501 BFGS: 998 10:57:12 22.022108 2.245071 BFGS: 999 10:57:12 21.941234 2.235648 BFGS: 1000 10:57:12 21.860523 2.226240 BFGS: 1001 10:57:12 21.779891 2.216860 BFGS: 1002 10:57:13 21.699259 2.207517 BFGS: 1003 10:57:13 21.618545 2.198225 BFGS: 1004 10:57:13 21.537671 2.188996 BFGS: 1005 10:57:13 21.456553 2.179841 BFGS: 1006 10:57:13 21.374977 2.170773 BFGS: 1007 10:57:14 21.298565 2.158596 BFGS: 1008 10:57:14 21.209745 2.151951 BFGS: 1009 10:57:14 20.983788 2.191528 BFGS: 1010 10:57:14 20.867151 2.158524 BFGS: 1011 10:57:14 20.737404 2.137936 BFGS: 1012 10:57:14 20.594552 2.117224 BFGS: 1013 10:57:15 20.439435 2.096365 BFGS: 1014 10:57:15 20.272894 2.075328 BFGS: 1015 10:57:15 20.095730 2.054099 BFGS: 1016 10:57:15 19.908702 2.032637 BFGS: 1017 10:57:15 19.712524 2.010875 BFGS: 1018 10:57:16 19.509247 1.988872 BFGS: 1019 10:57:16 19.315168 1.968216 BFGS: 1020 10:57:16 19.129107 1.948590 BFGS: 1021 10:57:16 18.945716 1.934653 BFGS: 1022 10:57:16 18.766045 1.924616 BFGS: 1023 10:57:17 18.596514 1.913019 BFGS: 1024 10:57:17 18.435682 1.900387 BFGS: 1025 10:57:17 18.282234 1.886885 BFGS: 1026 10:57:17 18.135016 1.872512 BFGS: 1027 10:57:17 17.993048 1.857207 BFGS: 1028 10:57:17 17.855509 1.840898 BFGS: 1029 10:57:18 17.721720 1.823531 BFGS: 1030 10:57:18 17.591117 1.805069 BFGS: 1031 10:57:18 17.463236 1.785500 BFGS: 1032 10:57:18 17.337689 1.764829 BFGS: 1033 10:57:18 17.214155 1.743074 BFGS: 1034 10:57:19 17.092366 1.720267 BFGS: 1035 10:57:19 16.972096 1.696447 BFGS: 1036 10:57:19 16.853159 1.671659 BFGS: 1037 10:57:19 16.735397 1.645952 BFGS: 1038 10:57:19 16.618679 1.619379 BFGS: 1039 10:57:20 16.502895 1.591992 BFGS: 1040 10:57:20 16.387957 1.563845 BFGS: 1041 10:57:20 16.273792 1.534993 BFGS: 1042 10:57:20 16.160362 1.505488 BFGS: 1043 10:57:20 16.048498 1.475174 BFGS: 1044 10:57:20 15.941423 1.445275 BFGS: 1045 10:57:21 15.836775 1.418110 BFGS: 1046 10:57:21 15.733337 1.393105 BFGS: 1047 10:57:21 15.630922 1.369482 BFGS: 1048 10:57:21 15.529408 1.346800 BFGS: 1049 10:57:21 15.428694 1.324817 BFGS: 1050 10:57:22 15.328689 1.303401 BFGS: 1051 10:57:22 15.229305 1.282483 BFGS: 1052 10:57:22 15.130460 1.262033 BFGS: 1053 10:57:22 15.032068 1.242036 BFGS: 1054 10:57:22 14.934046 1.222490 BFGS: 1055 10:57:23 14.836310 1.203397 BFGS: 1056 10:57:23 14.739443 1.184761 BFGS: 1057 10:57:23 14.644775 1.162861 BFGS: 1058 10:57:23 14.552876 1.135845 BFGS: 1059 10:57:23 14.464525 1.105503 BFGS: 1060 10:57:23 14.382839 1.073377 BFGS: 1061 10:57:24 14.312871 1.037732 BFGS: 1062 10:57:24 14.244634 1.004276 BFGS: 1063 10:57:24 14.178464 0.971913 BFGS: 1064 10:57:24 14.115348 0.939254 BFGS: 1065 10:57:24 14.055728 0.905375 BFGS: 1066 10:57:25 14.003455 0.872261 BFGS: 1067 10:57:25 13.959601 0.845569 BFGS: 1068 10:57:25 13.921060 0.827200 BFGS: 1069 10:57:25 13.885866 0.808477 BFGS: 1070 10:57:25 13.852549 0.790135 BFGS: 1071 10:57:25 13.819777 0.773321 BFGS: 1072 10:57:26 13.786603 0.758994 BFGS: 1073 10:57:26 13.752812 0.747376 BFGS: 1074 10:57:26 13.717948 0.739048 BFGS: 1075 10:57:26 13.681707 0.734232 BFGS: 1076 10:57:26 13.644030 0.733058 BFGS: 1077 10:57:26 13.605045 0.735559 BFGS: 1078 10:57:27 13.565030 0.741665 BFGS: 1079 10:57:27 13.524363 0.751197 BFGS: 1080 10:57:27 13.483480 0.763872 BFGS: 1081 10:57:27 13.442821 0.779308 BFGS: 1082 10:57:27 13.402788 0.797057 BFGS: 1083 10:57:28 13.363707 0.816636 BFGS: 1084 10:57:28 13.325812 0.837566 BFGS: 1085 10:57:28 13.289236 0.859405 BFGS: 1086 10:57:28 13.254032 0.881774 BFGS: 1087 10:57:28 13.220179 0.904359 BFGS: 1088 10:57:28 13.187613 0.926919 BFGS: 1089 10:57:28 13.156239 0.949276 BFGS: 1090 10:57:29 13.125947 0.971304 BFGS: 1091 10:57:29 13.096622 0.992921 BFGS: 1092 10:57:29 13.068154 1.014074 BFGS: 1093 10:57:29 13.040438 1.034735 BFGS: 1094 10:57:29 13.013378 1.054890 BFGS: 1095 10:57:29 12.986889 1.074537 BFGS: 1096 10:57:30 12.960894 1.093680 BFGS: 1097 10:57:30 12.935325 1.112330 BFGS: 1098 10:57:30 12.910122 1.130496 BFGS: 1099 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10:59:00 1.092270 0.225619 BFGS: 1648 10:59:00 1.079901 0.213835 BFGS: 1649 10:59:01 1.067813 0.202294 BFGS: 1650 10:59:01 1.055994 0.197945 BFGS: 1651 10:59:01 1.044429 0.197423 BFGS: 1652 10:59:01 1.033104 0.196960 BFGS: 1653 10:59:01 1.022006 0.196541 BFGS: 1654 10:59:01 1.011124 0.196154 BFGS: 1655 10:59:02 1.000444 0.195785 BFGS: 1656 10:59:02 0.989956 0.195425 BFGS: 1657 10:59:02 0.979648 0.195065 BFGS: 1658 10:59:02 0.969512 0.194697 BFGS: 1659 10:59:02 0.959536 0.194314 BFGS: 1660 10:59:02 0.949712 0.193912 BFGS: 1661 10:59:03 0.940031 0.193486 BFGS: 1662 10:59:03 0.930486 0.193032 BFGS: 1663 10:59:03 0.921069 0.192547 BFGS: 1664 10:59:03 0.911773 0.192030 BFGS: 1665 10:59:03 0.902591 0.191479 BFGS: 1666 10:59:03 0.893518 0.190894 BFGS: 1667 10:59:04 0.884548 0.190273 BFGS: 1668 10:59:04 0.875675 0.189617 BFGS: 1669 10:59:04 0.866894 0.188926 BFGS: 1670 10:59:04 0.858201 0.188200 BFGS: 1671 10:59:04 0.849593 0.187440 BFGS: 1672 10:59:04 0.841064 0.186647 BFGS: 1673 10:59:05 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0.105447 BFGS: 1805 10:59:25 0.091629 0.103685 BFGS: 1806 10:59:26 0.088640 0.101896 BFGS: 1807 10:59:26 0.085695 0.100081 BFGS: 1808 10:59:26 0.082795 0.098241 BFGS: 1809 10:59:26 0.079941 0.096376 BFGS: 1810 10:59:26 0.077131 0.094487 BFGS: 1811 10:59:26 0.074368 0.092573 BFGS: 1812 10:59:26 0.071651 0.090636 BFGS: 1813 10:59:27 0.068980 0.088676 BFGS: 1814 10:59:27 0.066357 0.086693 BFGS: 1815 10:59:27 0.063781 0.084689 BFGS: 1816 10:59:27 0.061252 0.082665 BFGS: 1817 10:59:27 0.058772 0.080620 BFGS: 1818 10:59:27 0.056341 0.078556 BFGS: 1819 10:59:27 0.053958 0.076474 BFGS: 1820 10:59:28 0.051625 0.074374 BFGS: 1821 10:59:28 0.049342 0.072258 BFGS: 1822 10:59:28 0.047110 0.070126 BFGS: 1823 10:59:28 0.044928 0.067980 BFGS: 1824 10:59:28 0.042797 0.065821 BFGS: 1825 10:59:28 0.040718 0.063651 BFGS: 1826 10:59:28 0.038691 0.061469 BFGS: 1827 10:59:29 0.036716 0.059279 BFGS: 1828 10:59:29 0.034795 0.057081 BFGS: 1829 10:59:29 0.032927 0.054878 BFGS: 1830 10:59:29 0.031112 0.052670 BFGS: 1831 10:59:29 0.029352 0.050460 BFGS: 1832 10:59:29 0.027646 0.048250 BFGS: 1833 10:59:29 0.025996 0.046043 BFGS: 1834 10:59:30 0.024401 0.043840 BFGS: 1835 10:59:30 0.022861 0.041644 BFGS: 1836 10:59:30 0.021378 0.039458 BFGS: 1837 10:59:30 0.019951 0.037285 BFGS: 1838 10:59:30 0.018581 0.035128 BFGS: 1839 10:59:30 0.017269 0.032992 BFGS: 1840 10:59:30 0.016014 0.030881 BFGS: 1841 10:59:30 0.014817 0.028799 BFGS: 1842 10:59:31 0.013677 0.026751 BFGS: 1843 10:59:31 0.012597 0.024745 BFGS: 1844 10:59:31 0.011574 0.022096 BFGS: 1845 10:59:31 0.010608 0.018901 BFGS: 1846 10:59:31 0.009697 0.017241 BFGS: 1847 10:59:31 0.008859 0.016035 BFGS: 1848 10:59:31 0.008101 0.014977 BFGS: 1849 10:59:32 0.007407 0.013972 BFGS: 1850 10:59:32 0.006760 0.015373 BFGS: 1851 10:59:32 0.006149 0.017636 BFGS: 1852 10:59:32 0.005574 0.019511 BFGS: 1853 10:59:32 0.005033 0.021066 BFGS: 1854 10:59:32 0.004525 0.022348 BFGS: 1855 10:59:32 0.004049 0.023389 BFGS: 1856 10:59:33 0.003606 0.024213 BFGS: 1857 10:59:33 0.003194 0.024834 BFGS: 1858 10:59:33 0.002814 0.025263 BFGS: 1859 10:59:33 0.002465 0.025506 BFGS: 1860 10:59:33 0.002147 0.025564 BFGS: 1861 10:59:33 0.001858 0.025435 BFGS: 1862 10:59:33 0.001599 0.025115 BFGS: 1863 10:59:34 0.001369 0.024593 BFGS: 1864 10:59:34 0.001166 0.023855 BFGS: 1865 10:59:34 0.000990 0.022874 BFGS: 1866 10:59:34 0.000836 0.021607 BFGS: 1867 10:59:34 0.000702 0.019875 BFGS: 1868 10:59:34 0.000578 0.017751 BFGS: 1869 10:59:34 0.000464 0.015635 BFGS: 1870 10:59:34 0.000361 0.013550 BFGS: 1871 10:59:35 0.000271 0.011496 BFGS: 1872 10:59:35 0.000194 0.009473 BFGS: 1873 10:59:35 0.000129 0.007483 BFGS: 1874 10:59:35 0.000078 0.005529 BFGS: 1875 10:59:35 0.000039 0.003619 BFGS: 1876 10:59:35 0.000014 0.002153 BFGS: 1877 10:59:35 0.000002 0.001054 BFGS: 1878 10:59:36 0.000000 0.000181 BFGS: 1879 10:59:36 0.000000 0.000076 BFGS: 1880 10:59:36 0.000000 0.000048 BFGS: 1881 10:59:36 0.000000 0.000000 Minimization converged after 1881 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 0.15368047] [0.66666666 0.33333334 0.84631953] [0.33333333 0.66666667 0.97388489] [0.66666666 0.33333334 0.02611511] [0.1204725 0.8795275 0.34217092] [0.1204725 0.24094501 0.34217092] [0.75905499 0.8795275 0.34217092] [0.8795275 0.1204725 0.65782908] [0.240945 0.1204725 0.65782908] [0.8795275 0.759055 0.65782908] [0.14479097 0.85520903 0.52764992] [0.14479097 0.28958194 0.52764992] [0.71041806 0.85520903 0.52764992] [0.85520903 0.14479097 0.47235008] [0.28958193 0.14479097 0.47235008] [0.85520903 0.71041807 0.47235008] [0.20734263 0.79265737 0.15556615] [0.20734263 0.41468527 0.15556615] [0.58531473 0.79265737 0.15556615] [0.79265736 0.20734264 0.84443385] [0.41468526 0.20734264 0.84443385] [0.79265736 0.58531474 0.84443385] [0.54899997 0.88260277 0.63040215] [0.11739723 0.66639721 0.63040215] [0.33360279 0.45100003 0.63040215] [0.88260277 0.54899998 0.36959785] [0.6663972 0.11739723 0.36959785] [0.45100002 0.3336028 0.36959785] [0.45100002 0.11739723 0.36959785] [0.88260277 0.3336028 0.36959785] [0.6663972 0.54899998 0.36959785] [0.11739723 0.45100003 0.63040215] [0.33360279 0.88260277 0.63040215] [0.54899997 0.66639721 0.63040215] [0.54878631 0.66655276 0.30892481] [0.33344724 0.88223356 0.30892481] [0.11776644 0.45121369 0.30892481] [0.66655275 0.54878632 0.69107519] [0.88223356 0.33344725 0.69107519] [0.45121368 0.11776644 0.69107519] [0.45121368 0.33344725 0.69107519] [0.66655275 0.11776644 0.69107519] [0.88223356 0.54878632 0.69107519] [0.33344724 0.45121369 0.30892481] [0.11776644 0.66655276 0.30892481] [0.54878631 0.88223356 0.30892481] [0.76845527 0.01543006 0.09982383] [0.98456994 0.75302522 0.09982383] [0.24697478 0.23154473 0.09982383] [0.01543005 0.76845527 0.90017617] [0.75302522 0.98456995 0.90017617] [0.23154473 0.24697478 0.90017617] [0.23154473 0.98456995 0.90017617] [0.01543005 0.24697478 0.90017617] [0.75302522 0.76845527 0.90017617] [0.98456994 0.23154473 0.09982383] [0.24697478 0.01543006 0.09982383] [0.76845527 0.75302522 0.09982383]] cellpar = Cell([[25.541345852460697, -4.6055830137226473e-17, -3.4742616027291415e-36], [-12.770672926230349, 22.119454355075273, -3.5359157015793475e-36], [-1.3690480976862693e-36, -8.026986055957996e-36, 30.591910099969336]]) 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