element(s): ['O'] AFLOW prototype label: A_mC4_12_i Parameter names: ['a', 'b/a', 'c/a', 'beta', 'x1', 'z1'] model type (only 'standard' supported at this time): standard number of parameter sets: 2 Parameter values for parameter set 0: ['6.1332', '0.61429596', '0.89643253', '135.4539', '0.097219577', '0.15969399'] Parameter values for parameter set 1: ['4.8144', '0.81652958', '0.98066218', '141.8659', '0.18473196', '0.088770687'] model name: MEAM_LAMMPS_ZhangTrinkle_2016_TiO__MO_612732924171_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['O'] representative atom coordinates = [[0.09721958 0. 0.15969399]] spacegroup = 12 cell = [[6.1332, 0, 0], [0, 3.7676, 0], [-3.9183491069823, 0, 3.8567530742597]] ========================================= Step Time Energy fmax BFGS: 0 16:21:02 3.235172 3.7253 BFGS: 1 16:21:02 2.775149 3.5015 BFGS: 2 16:21:02 2.322864 3.2482 BFGS: 3 16:21:02 1.881437 2.9708 BFGS: 4 16:21:02 1.454907 2.6927 BFGS: 5 16:21:02 1.020780 3.8879 BFGS: 6 16:21:02 0.122741 2.2881 BFGS: 7 16:21:02 -0.467411 4.5522 BFGS: 8 16:21:02 -1.249915 4.0200 BFGS: 9 16:21:02 -1.971396 3.5207 BFGS: 10 16:21:02 -2.636946 3.0528 BFGS: 11 16:21:02 -3.254112 2.6413 BFGS: 12 16:21:02 -3.831274 2.2695 BFGS: 13 16:21:02 -4.378572 2.0585 BFGS: 14 16:21:02 -4.908986 2.0132 BFGS: 15 16:21:02 -5.438895 2.0205 BFGS: 16 16:21:02 -5.953784 2.0658 BFGS: 17 16:21:02 -6.462657 2.1101 BFGS: 18 16:21:02 -6.421794 2.1134 BFGS: 19 16:21:02 -6.593742 2.1303 BFGS: 20 16:21:02 -6.357773 2.1244 BFGS: 21 16:21:02 -6.608797 2.1490 BFGS: 22 16:21:02 -6.468786 2.1434 BFGS: 23 16:21:02 -6.658917 2.1677 BFGS: 24 16:21:02 -6.504094 2.1657 BFGS: 25 16:21:02 -6.741344 2.2068 BFGS: 26 16:21:02 -6.546323 2.1838 BFGS: 27 16:21:02 -6.754102 2.2095 BFGS: 28 16:21:02 -6.643376 2.2148 BFGS: 29 16:21:02 -6.873455 2.2728 BFGS: 30 16:21:02 -6.662333 2.2407 BFGS: 31 16:21:02 -6.882809 2.2662 BFGS: 32 16:21:02 -6.788039 2.2767 BFGS: 33 16:21:02 -7.020365 2.3422 BFGS: 34 16:21:02 -6.830762 2.3201 BFGS: 35 16:21:02 -7.049856 2.3444 BFGS: 36 16:21:02 -7.000829 2.3528 BFGS: 37 16:21:02 -7.207036 2.4496 BFGS: 38 16:21:02 -7.174593 2.4107 BFGS: 39 16:21:02 -7.297990 2.4787 BFGS: 40 16:21:02 -7.367667 2.5428 BFGS: 41 16:21:02 -7.416218 2.5688 BFGS: 42 16:21:02 -7.463193 2.5925 BFGS: 43 16:21:02 -7.509672 2.6158 BFGS: 44 16:21:02 -7.558111 2.6377 BFGS: 45 16:21:02 -7.608343 2.6565 BFGS: 46 16:21:02 -7.660697 2.6823 BFGS: 47 16:21:02 -7.316477 2.5555 BFGS: 48 16:21:02 -7.466663 2.5799 BFGS: 49 16:21:02 -7.613656 2.6088 BFGS: 50 16:21:02 -7.743335 2.7181 BFGS: 51 16:21:02 -7.585551 2.6727 BFGS: 52 16:21:02 -7.793999 2.7268 BFGS: 53 16:21:02 -7.785329 2.7274 BFGS: 54 16:21:02 -7.827489 2.7848 BFGS: 55 16:21:02 -7.801539 2.6797 BFGS: 56 16:21:02 -7.851362 2.6628 BFGS: 57 16:21:02 -7.353786 2.6903 BFGS: 58 16:21:02 -7.639525 2.6883 BFGS: 59 16:21:02 -7.590368 2.6792 BFGS: 60 16:21:02 -7.850903 2.6936 BFGS: 61 16:21:02 -7.378459 2.6846 BFGS: 62 16:21:02 -7.658615 2.6815 BFGS: 63 16:21:02 -7.596354 2.6807 BFGS: 64 16:21:02 -7.852247 2.7148 BFGS: 65 16:21:02 -7.402434 2.6800 BFGS: 66 16:21:02 -7.685736 2.6756 BFGS: 67 16:21:02 -7.593839 2.6796 BFGS: 68 16:21:02 -7.849217 2.7097 BFGS: 69 16:21:02 -7.429793 2.6766 BFGS: 70 16:21:02 -7.711832 2.6710 BFGS: 71 16:21:02 -7.591240 2.6779 BFGS: 72 16:21:02 -7.846652 2.7043 BFGS: 73 16:21:02 -7.455877 2.6736 BFGS: 74 16:21:02 -7.736578 2.6668 BFGS: 75 16:21:02 -7.589119 2.6759 BFGS: 76 16:21:02 -7.844728 2.6990 BFGS: 77 16:21:02 -7.480564 2.6708 BFGS: 78 16:21:02 -7.760034 2.6630 BFGS: 79 16:21:02 -7.587518 2.6737 BFGS: 80 16:21:02 -7.843376 2.6940 BFGS: 81 16:21:02 -7.503950 2.6681 BFGS: 82 16:21:02 -7.782304 2.6594 BFGS: 83 16:21:02 -7.586385 2.6714 BFGS: 84 16:21:02 -7.842504 2.6892 BFGS: 85 16:21:02 -7.526140 2.6656 BFGS: 86 16:21:02 -7.803478 2.6561 BFGS: 87 16:21:02 -7.585648 2.6691 BFGS: 88 16:21:02 -7.842018 2.6846 BFGS: 89 16:21:02 -7.547221 2.6633 BFGS: 90 16:21:02 -7.823626 2.6531 BFGS: 91 16:21:02 -7.585222 2.6667 BFGS: 92 16:21:02 -7.841829 2.6801 BFGS: 93 16:21:02 -7.567256 2.6611 BFGS: 94 16:21:02 -7.842794 2.6505 BFGS: 95 16:21:02 -7.585006 2.6643 BFGS: 96 16:21:02 -7.841842 2.6757 BFGS: 97 16:21:02 -7.586279 2.6592 BFGS: 98 16:21:02 -7.860960 2.6485 BFGS: 99 16:21:02 -7.584805 2.6621 BFGS: 100 16:21:02 -7.841932 2.6715 BFGS: 101 16:21:02 -7.603962 2.6581 BFGS: 102 16:21:02 -7.878449 2.6465 BFGS: 103 16:21:02 -7.585801 2.6597 BFGS: 104 16:21:02 -7.842488 2.6679 BFGS: 105 16:21:02 -7.622290 2.6556 BFGS: 106 16:21:02 -7.896471 2.6422 BFGS: 107 16:21:02 -7.587220 2.6570 BFGS: 108 16:21:02 -7.843537 2.6648 BFGS: 109 16:21:02 -7.641007 2.6520 BFGS: 110 16:21:02 -7.915582 2.6330 BFGS: 111 16:21:02 -7.591156 2.6542 BFGS: 112 16:21:02 -7.846410 2.6645 BFGS: 113 16:21:02 -7.663259 2.6436 BFGS: 114 16:21:02 -7.936008 2.6194 BFGS: 115 16:21:02 -7.593032 2.6504 BFGS: 116 16:21:02 -7.849296 2.6609 BFGS: 117 16:21:02 -7.682227 2.6374 BFGS: 118 16:21:02 -7.953490 2.6105 BFGS: 119 16:21:02 -7.595560 2.6461 BFGS: 120 16:21:02 -7.852453 2.6558 BFGS: 121 16:21:02 -7.698922 2.6324 BFGS: 122 16:21:02 -7.968948 2.6040 BFGS: 123 16:21:02 -7.598484 2.6416 BFGS: 124 16:21:02 -7.855700 2.6501 BFGS: 125 16:21:02 -7.713871 2.6283 BFGS: 126 16:21:02 -7.982860 2.5992 BFGS: 127 16:21:02 -7.601486 2.6371 BFGS: 128 16:21:02 -7.858775 2.6441 BFGS: 129 16:21:02 -7.727435 2.6249 BFGS: 130 16:21:02 -7.995531 2.5961 BFGS: 131 16:21:03 -7.604234 2.6328 BFGS: 132 16:21:03 -7.861428 2.6382 BFGS: 133 16:21:03 -7.739831 2.6222 BFGS: 134 16:21:03 -8.007109 2.5946 BFGS: 135 16:21:03 -7.606364 2.6289 BFGS: 136 16:21:03 -7.863419 2.6326 BFGS: 137 16:21:03 -7.751101 2.6205 BFGS: 138 16:21:03 -8.017376 2.5954 BFGS: 139 16:21:03 -7.607090 2.6264 BFGS: 140 16:21:03 -7.864474 2.6289 BFGS: 141 16:21:03 -7.760384 2.6205 BFGS: 142 16:21:03 -8.026563 2.5976 BFGS: 143 16:21:03 -7.608621 2.6239 BFGS: 144 16:21:03 -7.865377 2.6250 BFGS: 145 16:21:03 -7.770017 2.6199 BFGS: 146 16:21:03 -8.036140 2.6008 BFGS: 147 16:21:03 -7.610009 2.6209 BFGS: 148 16:21:03 -7.866092 2.6204 BFGS: 149 16:21:03 -7.780258 2.6189 BFGS: 150 16:21:03 -8.046467 2.6063 BFGS: 151 16:21:03 -7.611902 2.6166 BFGS: 152 16:21:03 -7.867048 2.6144 BFGS: 153 16:21:03 -7.792124 2.6170 BFGS: 154 16:21:03 -8.056041 2.6126 BFGS: 155 16:21:03 -7.609462 2.6172 BFGS: 156 16:21:03 -7.868254 2.6152 BFGS: 157 16:21:03 -7.800708 2.6192 BFGS: 158 16:21:03 -8.064467 2.6176 BFGS: 159 16:21:03 -7.612369 2.6191 BFGS: 160 16:21:03 -7.871239 2.6165 BFGS: 161 16:21:03 -7.808344 2.6211 BFGS: 162 16:21:03 -8.071940 2.6212 BFGS: 163 16:21:03 -7.614649 2.6210 BFGS: 164 16:21:03 -7.873637 2.6180 BFGS: 165 16:21:03 -7.815141 2.6227 BFGS: 166 16:21:03 -8.078616 2.6231 BFGS: 167 16:21:03 -7.616391 2.6229 BFGS: 168 16:21:03 -7.875442 2.6196 BFGS: 169 16:21:03 -7.819935 2.6240 BFGS: 170 16:21:03 -8.089051 2.6884 BFGS: 171 16:21:03 -7.630022 2.6013 BFGS: 172 16:21:03 -7.885776 2.5900 BFGS: 173 16:21:03 -7.836965 2.6220 BFGS: 174 16:21:03 -8.097858 2.8299 BFGS: 175 16:21:03 -7.631341 2.5988 BFGS: 176 16:21:03 -7.909132 2.5830 BFGS: 177 16:21:03 -7.824832 2.6188 BFGS: 178 16:21:03 -8.085149 2.7335 BFGS: 179 16:21:03 -7.654977 2.5920 BFGS: 180 16:21:03 -7.918064 2.5745 BFGS: 181 16:21:03 -7.825366 2.6153 BFGS: 182 16:21:03 -8.084237 2.7276 BFGS: 183 16:21:03 -7.663471 2.5873 BFGS: 184 16:21:03 -7.926212 2.5683 BFGS: 185 16:21:03 -7.824664 2.6116 BFGS: 186 16:21:03 -8.082646 2.7148 BFGS: 187 16:21:03 -7.671434 2.5833 BFGS: 188 16:21:03 -7.933100 2.5634 BFGS: 189 16:21:03 -7.823850 2.6079 BFGS: 190 16:21:03 -8.081193 2.7016 BFGS: 191 16:21:03 -7.678240 2.5800 BFGS: 192 16:21:03 -7.938855 2.5594 BFGS: 193 16:21:03 -7.823128 2.6041 BFGS: 194 16:21:03 -8.079970 2.6890 BFGS: 195 16:21:03 -7.683973 2.5772 BFGS: 196 16:21:03 -7.943660 2.5563 BFGS: 197 16:21:03 -7.822532 2.6005 BFGS: 198 16:21:03 -8.078960 2.6771 BFGS: 199 16:21:03 -7.688799 2.5748 BFGS: 200 16:21:03 -7.947678 2.5537 BFGS: 201 16:21:03 -7.822057 2.5969 BFGS: 202 16:21:03 -8.078129 2.6659 BFGS: 203 16:21:03 -7.692868 2.5726 BFGS: 204 16:21:03 -7.951046 2.5516 BFGS: 205 16:21:03 -7.821688 2.5934 BFGS: 206 16:21:03 -8.077444 2.6555 BFGS: 207 16:21:03 -7.696310 2.5708 BFGS: 208 16:21:03 -7.953875 2.5499 BFGS: 209 16:21:03 -7.821408 2.5900 BFGS: 210 16:21:03 -8.076878 2.6456 BFGS: 211 16:21:03 -7.699229 2.5691 BFGS: 212 16:21:03 -7.956257 2.5486 BFGS: 213 16:21:03 -7.821202 2.5868 BFGS: 214 16:21:03 -8.076409 2.6364 BFGS: 215 16:21:03 -7.701713 2.5677 BFGS: 216 16:21:03 -7.958267 2.5475 BFGS: 217 16:21:03 -7.821054 2.5837 BFGS: 218 16:21:03 -8.076018 2.6278 BFGS: 219 16:21:03 -7.703835 2.5663 BFGS: 220 16:21:03 -7.959968 2.5466 BFGS: 221 16:21:03 -7.820953 2.5807 BFGS: 222 16:21:03 -8.075689 2.6197 BFGS: 223 16:21:03 -7.705654 2.5652 BFGS: 224 16:21:03 -7.961414 2.5459 BFGS: 225 16:21:03 -7.820889 2.5779 BFGS: 226 16:21:03 -8.075410 2.6121 BFGS: 227 16:21:03 -7.707227 2.5634 BFGS: 228 16:21:03 -7.962617 2.5454 BFGS: 229 16:21:03 -7.820882 2.5751 BFGS: 230 16:21:03 -8.075203 2.6049 BFGS: 231 16:21:03 -7.708563 2.5617 BFGS: 232 16:21:03 -7.963613 2.5450 BFGS: 233 16:21:03 -7.820924 2.5726 BFGS: 234 16:21:03 -8.075057 2.5983 BFGS: 235 16:21:03 -7.709696 2.5602 BFGS: 236 16:21:03 -7.964432 2.5447 BFGS: 237 16:21:03 -7.821005 2.5701 BFGS: 238 16:21:03 -8.074962 2.5920 BFGS: 239 16:21:03 -7.710654 2.5588 BFGS: 240 16:21:03 -7.965101 2.5445 BFGS: 241 16:21:03 -7.821117 2.5678 BFGS: 242 16:21:03 -8.074910 2.5861 BFGS: 243 16:21:03 -7.711462 2.5575 BFGS: 244 16:21:03 -7.965645 2.5445 BFGS: 245 16:21:03 -7.821254 2.5653 BFGS: 246 16:21:03 -8.074880 2.5806 BFGS: 247 16:21:03 -7.712154 2.5564 BFGS: 248 16:21:03 -7.966098 2.5444 BFGS: 249 16:21:03 -7.821399 2.5628 BFGS: 250 16:21:03 -8.074862 2.5754 BFGS: 251 16:21:03 -7.712751 2.5553 BFGS: 252 16:21:03 -7.966479 2.5444 BFGS: 253 16:21:03 -7.821542 2.5605 BFGS: 254 16:21:03 -8.074851 2.5706 BFGS: 255 16:21:03 -7.713271 2.5544 BFGS: 256 16:21:03 -7.966803 2.5445 BFGS: 257 16:21:03 -7.821678 2.5584 BFGS: 258 16:21:03 -8.074841 2.5662 BFGS: 259 16:21:03 -7.713726 2.5536 BFGS: 260 16:21:03 -7.967084 2.5446 BFGS: 261 16:21:03 -7.821803 2.5564 BFGS: 262 16:21:03 -8.074829 2.5621 BFGS: 263 16:21:03 -7.714130 2.5528 BFGS: 264 16:21:03 -7.967331 2.5447 BFGS: 265 16:21:03 -7.821913 2.5546 BFGS: 266 16:21:03 -8.074811 2.5583 BFGS: 267 16:21:03 -7.714493 2.5521 BFGS: 268 16:21:03 -7.967553 2.5448 BFGS: 269 16:21:03 -7.822006 2.5529 BFGS: 270 16:21:03 -8.074784 2.5549 BFGS: 271 16:21:03 -7.714824 2.5515 BFGS: 272 16:21:03 -7.967758 2.5448 BFGS: 273 16:21:03 -7.822081 2.5514 BFGS: 274 16:21:03 -8.074752 2.5518 BFGS: 275 16:21:03 -7.715126 2.5509 BFGS: 276 16:21:03 -7.967949 2.5447 BFGS: 277 16:21:03 -7.822142 2.5500 BFGS: 278 16:21:03 -8.074714 2.5490 BFGS: 279 16:21:03 -7.715405 2.5504 BFGS: 280 16:21:03 -7.968127 2.5445 BFGS: 281 16:21:03 -7.822190 2.5488 BFGS: 282 16:21:03 -8.074670 2.5464 BFGS: 283 16:21:03 -7.715666 2.5499 BFGS: 284 16:21:03 -7.968298 2.5444 BFGS: 285 16:21:03 -7.822225 2.5476 BFGS: 286 16:21:03 -8.074618 2.5442 BFGS: 287 16:21:03 -7.715915 2.5494 BFGS: 288 16:21:03 -7.968464 2.5443 BFGS: 289 16:21:03 -7.822246 2.5466 BFGS: 290 16:21:03 -8.074557 2.5422 BFGS: 291 16:21:03 -7.716154 2.5489 BFGS: 292 16:21:03 -7.968628 2.5441 BFGS: 293 16:21:03 -7.822254 2.5456 BFGS: 294 16:21:03 -8.074488 2.5404 BFGS: 295 16:21:03 -7.716388 2.5484 BFGS: 296 16:21:03 -7.968792 2.5439 BFGS: 297 16:21:03 -7.822250 2.5447 BFGS: 298 16:21:03 -8.074411 2.5389 BFGS: 299 16:21:03 -7.716617 2.5480 BFGS: 300 16:21:03 -7.968956 2.5436 BFGS: 301 16:21:03 -7.822233 2.5439 BFGS: 302 16:21:03 -8.074325 2.5375 BFGS: 303 16:21:03 -7.716843 2.5476 BFGS: 304 16:21:03 -7.969122 2.5434 BFGS: 305 16:21:03 -7.822204 2.5432 BFGS: 306 16:21:03 -8.074231 2.5363 BFGS: 307 16:21:03 -7.717068 2.5471 BFGS: 308 16:21:03 -7.969289 2.5431 BFGS: 309 16:21:03 -7.822165 2.5425 BFGS: 310 16:21:03 -8.074131 2.5353 BFGS: 311 16:21:03 -7.717291 2.5467 BFGS: 312 16:21:03 -7.969458 2.5428 BFGS: 313 16:21:03 -7.822117 2.5419 BFGS: 314 16:21:03 -8.074024 2.5344 BFGS: 315 16:21:03 -7.717514 2.5463 BFGS: 316 16:21:03 -7.969629 2.5425 BFGS: 317 16:21:03 -7.822060 2.5414 BFGS: 318 16:21:03 -8.073911 2.5336 BFGS: 319 16:21:03 -7.717735 2.5459 BFGS: 320 16:21:03 -7.969801 2.5422 BFGS: 321 16:21:03 -7.821995 2.5409 BFGS: 322 16:21:03 -8.073794 2.5330 BFGS: 323 16:21:03 -7.717955 2.5456 BFGS: 324 16:21:03 -7.969975 2.5418 BFGS: 325 16:21:03 -7.821923 2.5404 BFGS: 326 16:21:03 -8.073673 2.5324 BFGS: 327 16:21:03 -7.718174 2.5452 BFGS: 328 16:21:03 -7.970149 2.5415 BFGS: 329 16:21:03 -7.821846 2.5400 BFGS: 330 16:21:03 -8.073548 2.5319 BFGS: 331 16:21:03 -7.718391 2.5448 BFGS: 332 16:21:03 -7.970323 2.5412 BFGS: 333 16:21:03 -7.821763 2.5396 BFGS: 334 16:21:03 -8.073420 2.5315 BFGS: 335 16:21:03 -7.718608 2.5445 BFGS: 336 16:21:03 -7.970498 2.5408 BFGS: 337 16:21:03 -7.821675 2.5392 BFGS: 338 16:21:03 -8.073290 2.5312 BFGS: 339 16:21:03 -7.718822 2.5441 BFGS: 340 16:21:03 -7.970673 2.5405 BFGS: 341 16:21:03 -7.821584 2.5389 BFGS: 342 16:21:03 -8.073158 2.5309 BFGS: 343 16:21:03 -7.719034 2.5438 BFGS: 344 16:21:03 -7.970847 2.5401 BFGS: 345 16:21:03 -7.821489 2.5386 BFGS: 346 16:21:03 -8.073024 2.5307 BFGS: 347 16:21:03 -7.719245 2.5435 BFGS: 348 16:21:03 -7.971022 2.5398 BFGS: 349 16:21:03 -7.821390 2.5383 BFGS: 350 16:21:03 -8.072889 2.5305 BFGS: 351 16:21:03 -7.719454 2.5431 BFGS: 352 16:21:03 -7.971195 2.5394 BFGS: 353 16:21:03 -7.821289 2.5380 BFGS: 354 16:21:03 -8.072753 2.5304 BFGS: 355 16:21:03 -7.719660 2.5428 BFGS: 356 16:21:03 -7.971368 2.5391 BFGS: 357 16:21:03 -7.821186 2.5378 BFGS: 358 16:21:03 -8.072615 2.5302 BFGS: 359 16:21:03 -7.719865 2.5425 BFGS: 360 16:21:03 -7.971540 2.5388 BFGS: 361 16:21:03 -7.821081 2.5376 BFGS: 362 16:21:04 -8.072478 2.5301 BFGS: 363 16:21:04 -7.720067 2.5423 BFGS: 364 16:21:04 -7.971712 2.5385 BFGS: 365 16:21:04 -7.820973 2.5373 BFGS: 366 16:21:04 -8.072340 2.5300 BFGS: 367 16:21:04 -7.720268 2.5420 BFGS: 368 16:21:04 -7.971882 2.5382 BFGS: 369 16:21:04 -7.820864 2.5371 BFGS: 370 16:21:04 -8.072201 2.5300 BFGS: 371 16:21:04 -7.720466 2.5417 BFGS: 372 16:21:04 -7.972052 2.5379 BFGS: 373 16:21:04 -7.820754 2.5369 BFGS: 374 16:21:04 -8.072062 2.5299 BFGS: 375 16:21:04 -7.720662 2.5415 BFGS: 376 16:21:04 -7.972220 2.5376 BFGS: 377 16:21:04 -7.820642 2.5368 BFGS: 378 16:21:04 -8.071923 2.5299 BFGS: 379 16:21:04 -7.720857 2.5412 BFGS: 380 16:21:04 -7.972388 2.5373 BFGS: 381 16:21:04 -7.820529 2.5366 BFGS: 382 16:21:04 -8.071784 2.5299 BFGS: 383 16:21:04 -7.721049 2.5410 BFGS: 384 16:21:04 -7.972555 2.5370 BFGS: 385 16:21:04 -7.820415 2.5364 BFGS: 386 16:21:04 -8.071645 2.5298 BFGS: 387 16:21:04 -7.721240 2.5408 BFGS: 388 16:21:04 -7.972722 2.5368 BFGS: 389 16:21:04 -7.820300 2.5363 BFGS: 390 16:21:04 -8.071505 2.5298 BFGS: 391 16:21:04 -7.721429 2.5406 BFGS: 392 16:21:04 -7.972887 2.5365 BFGS: 393 16:21:04 -7.820184 2.5362 BFGS: 394 16:21:04 -8.071366 2.5298 BFGS: 395 16:21:04 -7.721617 2.5404 BFGS: 396 16:21:04 -7.973052 2.5363 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16:21:36 -7.988706 2.5012 BFGS: 8487 16:21:36 -7.812725 2.5046 BFGS: 8488 16:21:36 -8.059908 2.5005 BFGS: 8489 16:21:36 -7.741524 2.5044 BFGS: 8490 16:21:36 -7.988707 2.5012 BFGS: 8491 16:21:36 -7.812727 2.5046 BFGS: 8492 16:21:36 -8.059908 2.5005 BFGS: 8493 16:21:36 -7.741526 2.5044 BFGS: 8494 16:21:36 -7.988708 2.5012 BFGS: 8495 16:21:36 -7.812728 2.5046 BFGS: 8496 16:21:36 -8.059908 2.5004 BFGS: 8497 16:21:36 -7.741528 2.5044 BFGS: 8498 16:21:36 -7.988709 2.5012 BFGS: 8499 16:21:36 -7.812729 2.5046 BFGS: 8500 16:21:36 -8.059909 2.5004 BFGS: 8501 16:21:36 -7.741531 2.5044 BFGS: 8502 16:21:36 -7.988710 2.5012 BFGS: 8503 16:21:36 -7.812731 2.5046 BFGS: 8504 16:21:36 -8.059909 2.5004 BFGS: 8505 16:21:36 -7.741533 2.5044 BFGS: 8506 16:21:36 -7.988711 2.5012 BFGS: 8507 16:21:36 -7.812732 2.5046 BFGS: 8508 16:21:36 -8.059909 2.5004 BFGS: 8509 16:21:36 -7.741535 2.5044 BFGS: 8510 16:21:36 -7.988712 2.5011 BFGS: 8511 16:21:36 -7.812733 2.5045 BFGS: 8512 16:21:36 -8.059909 2.5004 BFGS: 8513 16:21:36 -7.741537 2.5043 BFGS: 8514 16:21:36 -7.988713 2.5011 BFGS: 8515 16:21:36 -7.812735 2.5045 BFGS: 8516 16:21:36 -8.059909 2.5004 BFGS: 8517 16:21:36 -7.741540 2.5043 BFGS: 8518 16:21:36 -7.988714 2.5011 BFGS: 8519 16:21:36 -7.812736 2.5045 BFGS: 8520 16:21:36 -8.059909 2.5004 BFGS: 8521 16:21:36 -7.741542 2.5043 BFGS: 8522 16:21:36 -7.988715 2.5011 BFGS: 8523 16:21:36 -7.812737 2.5045 BFGS: 8524 16:21:36 -8.059909 2.5004 BFGS: 8525 16:21:36 -7.741544 2.5043 BFGS: 8526 16:21:36 -7.988716 2.5011 BFGS: 8527 16:21:36 -7.812738 2.5045 BFGS: 8528 16:21:36 -8.059909 2.5004 BFGS: 8529 16:21:36 -7.741546 2.5043 BFGS: 8530 16:21:36 -7.988717 2.5011 BFGS: 8531 16:21:36 -7.812740 2.5045 BFGS: 8532 16:21:36 -8.059909 2.5004 BFGS: 8533 16:21:36 -7.741549 2.5043 BFGS: 8534 16:21:36 -7.988719 2.5011 BFGS: 8535 16:21:36 -7.812741 2.5045 BFGS: 8536 16:21:36 -8.059909 2.5004 BFGS: 8537 16:21:36 -7.741551 2.5043 BFGS: 8538 16:21:36 -7.988720 2.5011 BFGS: 8539 16:21:36 -7.812742 2.5045 BFGS: 8540 16:21:36 -8.059909 2.5003 BFGS: 8541 16:21:36 -7.741553 2.5043 BFGS: 8542 16:21:36 -7.988721 2.5011 BFGS: 8543 16:21:36 -7.812743 2.5045 BFGS: 8544 16:21:36 -8.059909 2.5003 BFGS: 8545 16:21:36 -7.741556 2.5043 BFGS: 8546 16:21:36 -7.988722 2.5011 BFGS: 8547 16:21:36 -7.812744 2.5045 BFGS: 8548 16:21:36 -8.059909 2.5003 BFGS: 8549 16:21:36 -7.741558 2.5043 BFGS: 8550 16:21:36 -7.988723 2.5011 BFGS: 8551 16:21:36 -7.812746 2.5045 BFGS: 8552 16:21:36 -8.059909 2.5003 BFGS: 8553 16:21:36 -7.741560 2.5043 BFGS: 8554 16:21:36 -7.988724 2.5010 BFGS: 8555 16:21:36 -7.812747 2.5044 BFGS: 8556 16:21:36 -8.059909 2.5003 BFGS: 8557 16:21:36 -7.741563 2.5042 BFGS: 8558 16:21:36 -7.988725 2.5010 BFGS: 8559 16:21:36 -7.812748 2.5044 BFGS: 8560 16:21:36 -8.059909 2.5003 BFGS: 8561 16:21:36 -7.741565 2.5042 BFGS: 8562 16:21:36 -7.988727 2.5010 BFGS: 8563 16:21:36 -7.812749 2.5044 BFGS: 8564 16:21:36 -8.059909 2.5003 BFGS: 8565 16:21:36 -7.741567 2.5042 BFGS: 8566 16:21:36 -7.988728 2.5010 BFGS: 8567 16:21:36 -7.812750 2.5044 BFGS: 8568 16:21:36 -8.059909 2.5003 BFGS: 8569 16:21:36 -7.741570 2.5042 BFGS: 8570 16:21:36 -7.988729 2.5010 BFGS: 8571 16:21:36 -7.812752 2.5044 BFGS: 8572 16:21:36 -8.059909 2.5003 BFGS: 8573 16:21:36 -7.741572 2.5042 BFGS: 8574 16:21:36 -7.988730 2.5010 BFGS: 8575 16:21:36 -7.812753 2.5044 BFGS: 8576 16:21:36 -8.059909 2.5003 BFGS: 8577 16:21:36 -7.741575 2.5042 BFGS: 8578 16:21:36 -7.988731 2.5010 BFGS: 8579 16:21:36 -7.812754 2.5044 BFGS: 8580 16:21:36 -8.059909 2.5003 BFGS: 8581 16:21:36 -7.741577 2.5042 BFGS: 8582 16:21:36 -7.988732 2.5010 BFGS: 8583 16:21:36 -7.812755 2.5044 BFGS: 8584 16:21:36 -8.059909 2.5002 BFGS: 8585 16:21:36 -7.741579 2.5042 BFGS: 8586 16:21:36 -7.988734 2.5010 BFGS: 8587 16:21:36 -7.812756 2.5044 BFGS: 8588 16:21:36 -8.059909 2.5002 BFGS: 8589 16:21:36 -7.741582 2.5042 BFGS: 8590 16:21:36 -7.988735 2.5010 BFGS: 8591 16:21:36 -7.812757 2.5044 BFGS: 8592 16:21:36 -8.059909 2.5002 BFGS: 8593 16:21:36 -7.741584 2.5042 BFGS: 8594 16:21:36 -7.988736 2.5010 BFGS: 8595 16:21:36 -7.812759 2.5044 BFGS: 8596 16:21:36 -8.059909 2.5002 BFGS: 8597 16:21:36 -7.741587 2.5042 BFGS: 8598 16:21:36 -7.988737 2.5009 BFGS: 8599 16:21:36 -7.812760 2.5043 BFGS: 8600 16:21:36 -8.059909 2.5002 BFGS: 8601 16:21:36 -7.741589 2.5041 BFGS: 8602 16:21:36 -7.988739 2.5009 BFGS: 8603 16:21:36 -7.812761 2.5043 BFGS: 8604 16:21:36 -8.059909 2.5002 BFGS: 8605 16:21:36 -7.741591 2.5041 BFGS: 8606 16:21:36 -7.988740 2.5009 BFGS: 8607 16:21:36 -7.812762 2.5043 BFGS: 8608 16:21:36 -8.059909 2.5002 BFGS: 8609 16:21:36 -7.741594 2.5041 BFGS: 8610 16:21:36 -7.988741 2.5009 BFGS: 8611 16:21:36 -7.812763 2.5043 BFGS: 8612 16:21:36 -8.059909 2.5002 BFGS: 8613 16:21:36 -7.741596 2.5041 BFGS: 8614 16:21:36 -7.988742 2.5009 BFGS: 8615 16:21:36 -7.812764 2.5043 BFGS: 8616 16:21:36 -8.059908 2.5002 BFGS: 8617 16:21:36 -7.741599 2.5041 BFGS: 8618 16:21:36 -7.988744 2.5009 BFGS: 8619 16:21:36 -7.812765 2.5043 BFGS: 8620 16:21:36 -8.059908 2.5002 BFGS: 8621 16:21:36 -7.741601 2.5041 BFGS: 8622 16:21:36 -7.988745 2.5009 BFGS: 8623 16:21:36 -7.812766 2.5043 BFGS: 8624 16:21:36 -8.059908 2.5002 BFGS: 8625 16:21:36 -7.741604 2.5041 BFGS: 8626 16:21:36 -7.988746 2.5009 BFGS: 8627 16:21:36 -7.812767 2.5043 BFGS: 8628 16:21:36 -8.059908 2.5001 BFGS: 8629 16:21:36 -7.741606 2.5041 BFGS: 8630 16:21:36 -7.988747 2.5009 BFGS: 8631 16:21:36 -7.812769 2.5043 BFGS: 8632 16:21:36 -8.059908 2.5001 BFGS: 8633 16:21:36 -7.741609 2.5041 BFGS: 8634 16:21:36 -7.988749 2.5009 BFGS: 8635 16:21:36 -7.812770 2.5043 BFGS: 8636 16:21:36 -8.059908 2.5001 BFGS: 8637 16:21:36 -7.741611 2.5041 BFGS: 8638 16:21:36 -7.988750 2.5009 BFGS: 8639 16:21:36 -7.812771 2.5043 BFGS: 8640 16:21:36 -8.059908 2.5001 BFGS: 8641 16:21:36 -7.741614 2.5041 BFGS: 8642 16:21:36 -7.988751 2.5008 BFGS: 8643 16:21:36 -7.812772 2.5042 BFGS: 8644 16:21:36 -8.059908 2.5001 BFGS: 8645 16:21:36 -7.741616 2.5040 BFGS: 8646 16:21:36 -7.988753 2.5008 BFGS: 8647 16:21:36 -7.812773 2.5042 BFGS: 8648 16:21:36 -8.059907 2.5001 BFGS: 8649 16:21:36 -7.741618 2.5040 BFGS: 8650 16:21:36 -7.988754 2.5008 BFGS: 8651 16:21:36 -7.812774 2.5042 BFGS: 8652 16:21:36 -8.059907 2.5001 BFGS: 8653 16:21:36 -7.741621 2.5040 BFGS: 8654 16:21:36 -7.988755 2.5008 BFGS: 8655 16:21:36 -7.812775 2.5042 BFGS: 8656 16:21:36 -8.059907 2.5001 BFGS: 8657 16:21:36 -7.741623 2.5040 BFGS: 8658 16:21:36 -7.988756 2.5008 BFGS: 8659 16:21:36 -7.812776 2.5042 BFGS: 8660 16:21:36 -8.059907 2.5001 BFGS: 8661 16:21:36 -7.741626 2.5040 BFGS: 8662 16:21:36 -7.988758 2.5008 BFGS: 8663 16:21:36 -7.812777 2.5042 BFGS: 8664 16:21:36 -8.059907 2.5001 BFGS: 8665 16:21:36 -7.741628 2.5040 BFGS: 8666 16:21:36 -7.988759 2.5008 BFGS: 8667 16:21:36 -7.812778 2.5042 BFGS: 8668 16:21:36 -8.059907 2.5001 BFGS: 8669 16:21:36 -7.741631 2.5040 BFGS: 8670 16:21:36 -7.988760 2.5008 BFGS: 8671 16:21:36 -7.812779 2.5042 BFGS: 8672 16:21:36 -8.059906 2.5001 BFGS: 8673 16:21:36 -7.741634 2.5040 BFGS: 8674 16:21:36 -7.988762 2.5008 BFGS: 8675 16:21:36 -7.812780 2.5042 BFGS: 8676 16:21:36 -8.059906 2.5000 BFGS: 8677 16:21:36 -7.741636 2.5040 BFGS: 8678 16:21:36 -7.988763 2.5008 BFGS: 8679 16:21:36 -7.812781 2.5042 BFGS: 8680 16:21:36 -8.059906 2.5000 BFGS: 8681 16:21:36 -7.741639 2.5040 BFGS: 8682 16:21:36 -7.988764 2.5008 BFGS: 8683 16:21:36 -7.812782 2.5042 BFGS: 8684 16:21:36 -8.059906 2.5000 BFGS: 8685 16:21:36 -7.741641 2.5039 BFGS: 8686 16:21:36 -7.988766 2.5008 BFGS: 8687 16:21:36 -7.812783 2.5041 BFGS: 8688 16:21:36 -8.059906 2.5000 BFGS: 8689 16:21:36 -7.741644 2.5039 BFGS: 8690 16:21:36 -7.988767 2.5007 BFGS: 8691 16:21:36 -7.812784 2.5041 BFGS: 8692 16:21:36 -8.059905 2.5000 BFGS: 8693 16:21:36 -7.741646 2.5039 BFGS: 8694 16:21:36 -7.988769 2.5007 BFGS: 8695 16:21:36 -7.812785 2.5041 BFGS: 8696 16:21:36 -8.059905 2.5000 BFGS: 8697 16:21:36 -7.741649 2.5039 BFGS: 8698 16:21:36 -7.988770 2.5007 BFGS: 8699 16:21:36 -7.812786 2.5041 BFGS: 8700 16:21:36 -8.059905 2.5000 BFGS: 8701 16:21:36 -7.741651 2.5039 BFGS: 8702 16:21:36 -7.988771 2.5007 BFGS: 8703 16:21:36 -7.812787 2.5041 BFGS: 8704 16:21:36 -8.059905 2.5000 BFGS: 8705 16:21:36 -7.741654 2.5039 BFGS: 8706 16:21:36 -7.988773 2.5007 BFGS: 8707 16:21:36 -7.812788 2.5041 BFGS: 8708 16:21:36 -8.059904 2.5000 BFGS: 8709 16:21:36 -7.741657 2.5039 BFGS: 8710 16:21:36 -7.988774 2.5007 BFGS: 8711 16:21:36 -7.812789 2.5041 BFGS: 8712 16:21:36 -8.059904 2.5000 BFGS: 8713 16:21:36 -7.741659 2.5039 BFGS: 8714 16:21:37 -7.988776 2.5007 BFGS: 8715 16:21:37 -7.812790 2.5041 BFGS: 8716 16:21:37 -8.059904 2.5000 BFGS: 8717 16:21:37 -7.741662 2.5039 BFGS: 8718 16:21:37 -7.988777 2.5007 BFGS: 8719 16:21:37 -7.812791 2.5041 BFGS: 8720 16:21:37 -8.059904 2.4999 BFGS: 8721 16:21:37 -7.741664 2.5039 BFGS: 8722 16:21:37 -7.988778 2.5007 BFGS: 8723 16:21:37 -7.812791 2.5041 BFGS: 8724 16:21:37 -8.059903 2.4999 BFGS: 8725 16:21:37 -7.741667 2.5039 BFGS: 8726 16:21:37 -7.988780 2.5007 BFGS: 8727 16:21:37 -7.812792 2.5041 BFGS: 8728 16:21:37 -8.059903 2.4999 BFGS: 8729 16:21:37 -7.741670 2.5038 BFGS: 8730 16:21:37 -7.988781 2.5007 BFGS: 8731 16:21:37 -7.812793 2.5040 BFGS: 8732 16:21:37 -8.059903 2.4999 BFGS: 8733 16:21:37 -7.741672 2.5038 BFGS: 8734 16:21:37 -7.988783 2.5006 BFGS: 8735 16:21:37 -7.812794 2.5040 BFGS: 8736 16:21:37 -8.059903 2.4999 BFGS: 8737 16:21:37 -7.741675 2.5038 BFGS: 8738 16:21:37 -7.988784 2.5006 BFGS: 8739 16:21:37 -7.812795 2.5040 BFGS: 8740 16:21:37 -8.059902 2.4999 BFGS: 8741 16:21:37 -7.741677 2.5038 BFGS: 8742 16:21:37 -7.988786 2.5006 BFGS: 8743 16:21:37 -7.812796 2.5040 BFGS: 8744 16:21:37 -8.059902 2.4999 BFGS: 8745 16:21:37 -7.741680 2.5038 BFGS: 8746 16:21:37 -7.988787 2.5006 BFGS: 8747 16:21:37 -7.812797 2.5040 BFGS: 8748 16:21:37 -8.059902 2.4999 BFGS: 8749 16:21:37 -7.741683 2.5038 BFGS: 8750 16:21:37 -7.988788 2.5006 BFGS: 8751 16:21:37 -7.812798 2.5040 BFGS: 8752 16:21:37 -8.059901 2.4999 BFGS: 8753 16:21:37 -7.741685 2.5038 BFGS: 8754 16:21:37 -7.988790 2.5006 BFGS: 8755 16:21:37 -7.812799 2.5040 BFGS: 8756 16:21:37 -8.059901 2.4999 BFGS: 8757 16:21:37 -7.741688 2.5038 BFGS: 8758 16:21:37 -7.988791 2.5006 BFGS: 8759 16:21:37 -7.812799 2.5040 BFGS: 8760 16:21:37 -8.059901 2.4999 BFGS: 8761 16:21:37 -7.741691 2.5038 BFGS: 8762 16:21:37 -7.988793 2.5006 BFGS: 8763 16:21:37 -7.812800 2.5040 BFGS: 8764 16:21:37 -8.059900 2.4998 BFGS: 8765 16:21:37 -7.741693 2.5038 BFGS: 8766 16:21:37 -7.988794 2.5006 BFGS: 8767 16:21:37 -7.812801 2.5040 BFGS: 8768 16:21:37 -8.059900 2.4998 BFGS: 8769 16:21:37 -7.741696 2.5038 BFGS: 8770 16:21:37 -7.988796 2.5006 BFGS: 8771 16:21:37 -7.812802 2.5040 BFGS: 8772 16:21:37 -8.059900 2.4998 BFGS: 8773 16:21:37 -7.741699 2.5037 BFGS: 8774 16:21:37 -7.988797 2.5006 BFGS: 8775 16:21:37 -7.812803 2.5039 BFGS: 8776 16:21:37 -8.059899 2.4998 BFGS: 8777 16:21:37 -7.741701 2.5037 BFGS: 8778 16:21:37 -7.988799 2.5005 BFGS: 8779 16:21:37 -7.812804 2.5039 BFGS: 8780 16:21:37 -8.059899 2.4998 BFGS: 8781 16:21:37 -7.741704 2.5037 BFGS: 8782 16:21:37 -7.988800 2.5005 BFGS: 8783 16:21:37 -7.812805 2.5039 BFGS: 8784 16:21:37 -8.059899 2.4998 BFGS: 8785 16:21:37 -7.741707 2.5037 BFGS: 8786 16:21:37 -7.988802 2.5005 BFGS: 8787 16:21:37 -7.812805 2.5039 BFGS: 8788 16:21:37 -8.059898 2.4998 BFGS: 8789 16:21:37 -7.741709 2.5037 BFGS: 8790 16:21:37 -7.988803 2.5005 BFGS: 8791 16:21:37 -7.812806 2.5039 BFGS: 8792 16:21:37 -8.059898 2.4998 BFGS: 8793 16:21:37 -7.741712 2.5037 BFGS: 8794 16:21:37 -7.988805 2.5005 BFGS: 8795 16:21:37 -7.812807 2.5039 BFGS: 8796 16:21:37 -8.059898 2.4998 BFGS: 8797 16:21:37 -7.741715 2.5037 BFGS: 8798 16:21:37 -7.988806 2.5005 BFGS: 8799 16:21:37 -7.812808 2.5039 BFGS: 8800 16:21:37 -8.059897 2.4998 BFGS: 8801 16:21:37 -7.741717 2.5037 BFGS: 8802 16:21:37 -7.988808 2.5005 BFGS: 8803 16:21:37 -7.812809 2.5039 BFGS: 8804 16:21:37 -8.059897 2.4998 BFGS: 8805 16:21:37 -7.741720 2.5037 BFGS: 8806 16:21:37 -7.988810 2.5005 BFGS: 8807 16:21:37 -7.812809 2.5039 BFGS: 8808 16:21:37 -8.059896 2.4998 BFGS: 8809 16:21:37 -7.741723 2.5037 BFGS: 8810 16:21:37 -7.988811 2.5005 BFGS: 8811 16:21:37 -7.812810 2.5039 BFGS: 8812 16:21:37 -8.059896 2.4997 BFGS: 8813 16:21:37 -7.741726 2.5037 BFGS: 8814 16:21:37 -7.988813 2.5005 BFGS: 8815 16:21:37 -7.812811 2.5039 BFGS: 8816 16:21:37 -8.059896 2.4997 BFGS: 8817 16:21:37 -7.741728 2.5036 BFGS: 8818 16:21:37 -7.988814 2.5005 BFGS: 8819 16:21:37 -7.812812 2.5038 BFGS: 8820 16:21:37 -8.059895 2.4997 BFGS: 8821 16:21:37 -7.741731 2.5036 BFGS: 8822 16:21:37 -7.988816 2.5004 BFGS: 8823 16:21:37 -7.812813 2.5038 BFGS: 8824 16:21:37 -8.059895 2.4997 BFGS: 8825 16:21:37 -7.741734 2.5036 BFGS: 8826 16:21:37 -7.988817 2.5004 BFGS: 8827 16:21:37 -7.812813 2.5038 BFGS: 8828 16:21:37 -8.059894 2.4997 BFGS: 8829 16:21:37 -7.741737 2.5036 BFGS: 8830 16:21:37 -7.988819 2.5004 BFGS: 8831 16:21:37 -7.812814 2.5038 BFGS: 8832 16:21:37 -8.059894 2.4997 BFGS: 8833 16:21:37 -7.741739 2.5036 BFGS: 8834 16:21:37 -7.988820 2.5004 BFGS: 8835 16:21:37 -7.812815 2.5038 BFGS: 8836 16:21:37 -8.059893 2.4997 BFGS: 8837 16:21:37 -7.741742 2.5036 BFGS: 8838 16:21:37 -7.988822 2.5004 BFGS: 8839 16:21:37 -7.812816 2.5038 BFGS: 8840 16:21:37 -8.059893 2.4997 BFGS: 8841 16:21:37 -7.741745 2.5036 BFGS: 8842 16:21:37 -7.988824 2.5004 BFGS: 8843 16:21:37 -7.812816 2.5038 BFGS: 8844 16:21:37 -8.059893 2.4997 BFGS: 8845 16:21:37 -7.741748 2.5036 BFGS: 8846 16:21:37 -7.988825 2.5004 BFGS: 8847 16:21:37 -7.812817 2.5038 BFGS: 8848 16:21:37 -8.059892 2.4997 BFGS: 8849 16:21:37 -7.741750 2.5036 BFGS: 8850 16:21:37 -7.988827 2.5004 BFGS: 8851 16:21:37 -7.812818 2.5038 BFGS: 8852 16:21:37 -8.059892 2.4997 BFGS: 8853 16:21:37 -7.741753 2.5036 BFGS: 8854 16:21:37 -7.988828 2.5004 BFGS: 8855 16:21:37 -7.812818 2.5038 BFGS: 8856 16:21:37 -8.059891 2.4996 BFGS: 8857 16:21:37 -7.741756 2.5036 BFGS: 8858 16:21:37 -7.988830 2.5004 BFGS: 8859 16:21:37 -7.812819 2.5038 BFGS: 8860 16:21:37 -8.059891 2.4996 BFGS: 8861 16:21:37 -7.741759 2.5036 BFGS: 8862 16:21:37 -7.988832 2.5004 BFGS: 8863 16:21:37 -7.812820 2.5037 BFGS: 8864 16:21:37 -8.059890 2.4996 BFGS: 8865 16:21:37 -7.741762 2.5035 BFGS: 8866 16:21:37 -7.988833 2.5004 BFGS: 8867 16:21:37 -7.812821 2.5037 BFGS: 8868 16:21:37 -8.059890 2.4996 BFGS: 8869 16:21:37 -7.741764 2.5035 BFGS: 8870 16:21:37 -7.988835 2.5003 BFGS: 8871 16:21:37 -7.812821 2.5037 BFGS: 8872 16:21:37 -8.059889 2.4996 BFGS: 8873 16:21:37 -7.741767 2.5035 BFGS: 8874 16:21:37 -7.988837 2.5003 BFGS: 8875 16:21:37 -7.812822 2.5037 BFGS: 8876 16:21:37 -8.059889 2.4996 BFGS: 8877 16:21:37 -7.741770 2.5035 BFGS: 8878 16:21:37 -7.988838 2.5003 BFGS: 8879 16:21:37 -7.812823 2.5037 BFGS: 8880 16:21:37 -8.059888 2.4996 BFGS: 8881 16:21:37 -7.741773 2.5035 BFGS: 8882 16:21:37 -7.988840 2.5003 BFGS: 8883 16:21:37 -7.812823 2.5037 BFGS: 8884 16:21:37 -8.059888 2.4996 BFGS: 8885 16:21:37 -7.741776 2.5035 BFGS: 8886 16:21:37 -7.988842 2.5003 BFGS: 8887 16:21:37 -7.812824 2.5037 BFGS: 8888 16:21:37 -8.059887 2.4996 BFGS: 8889 16:21:37 -7.741779 2.5035 BFGS: 8890 16:21:37 -7.988843 2.5003 BFGS: 8891 16:21:37 -7.812825 2.5037 BFGS: 8892 16:21:37 -8.059887 2.4996 BFGS: 8893 16:21:37 -7.741781 2.5035 BFGS: 8894 16:21:37 -7.988845 2.5003 BFGS: 8895 16:21:37 -7.812825 2.5037 BFGS: 8896 16:21:37 -8.059886 2.4996 BFGS: 8897 16:21:37 -7.741784 2.5035 BFGS: 8898 16:21:37 -7.988847 2.5003 BFGS: 8899 16:21:37 -7.812826 2.5037 BFGS: 8900 16:21:37 -8.059886 2.4995 BFGS: 8901 16:21:37 -7.741787 2.5035 BFGS: 8902 16:21:37 -7.988848 2.5003 BFGS: 8903 16:21:37 -7.812827 2.5037 BFGS: 8904 16:21:37 -8.059885 2.4995 BFGS: 8905 16:21:37 -7.741790 2.5035 BFGS: 8906 16:21:37 -7.988850 2.5003 BFGS: 8907 16:21:37 -7.812827 2.5037 BFGS: 8908 16:21:37 -8.059885 2.4995 BFGS: 8909 16:21:37 -7.741793 2.5034 BFGS: 8910 16:21:37 -7.988852 2.5003 BFGS: 8911 16:21:37 -7.812828 2.5036 BFGS: 8912 16:21:37 -8.059884 2.4995 BFGS: 8913 16:21:37 -7.741796 2.5034 BFGS: 8914 16:21:37 -7.988853 2.5002 BFGS: 8915 16:21:37 -7.812828 2.5036 BFGS: 8916 16:21:37 -8.059883 2.4995 BFGS: 8917 16:21:37 -7.741799 2.5034 BFGS: 8918 16:21:37 -7.988855 2.5002 BFGS: 8919 16:21:37 -7.812829 2.5036 BFGS: 8920 16:21:37 -8.059883 2.4995 BFGS: 8921 16:21:37 -7.741801 2.5034 BFGS: 8922 16:21:37 -7.988857 2.5002 BFGS: 8923 16:21:37 -7.812830 2.5036 BFGS: 8924 16:21:37 -8.059882 2.4995 BFGS: 8925 16:21:37 -7.741804 2.5034 BFGS: 8926 16:21:37 -7.988858 2.5002 BFGS: 8927 16:21:37 -7.812830 2.5036 BFGS: 8928 16:21:37 -8.059882 2.4995 BFGS: 8929 16:21:37 -7.741807 2.5034 BFGS: 8930 16:21:37 -7.988860 2.5002 BFGS: 8931 16:21:37 -7.812831 2.5036 BFGS: 8932 16:21:37 -8.059881 2.4995 BFGS: 8933 16:21:37 -7.741810 2.5034 BFGS: 8934 16:21:37 -7.988862 2.5002 BFGS: 8935 16:21:37 -7.812832 2.5036 BFGS: 8936 16:21:37 -8.059881 2.4995 BFGS: 8937 16:21:37 -7.741813 2.5034 BFGS: 8938 16:21:37 -7.988864 2.5002 BFGS: 8939 16:21:37 -7.812832 2.5036 BFGS: 8940 16:21:37 -8.059880 2.4995 BFGS: 8941 16:21:37 -7.741816 2.5034 BFGS: 8942 16:21:37 -7.988865 2.5002 BFGS: 8943 16:21:37 -7.812833 2.5036 BFGS: 8944 16:21:37 -8.059879 2.4995 BFGS: 8945 16:21:37 -7.741819 2.5034 BFGS: 8946 16:21:37 -7.988867 2.5002 BFGS: 8947 16:21:37 -7.812833 2.5036 BFGS: 8948 16:21:37 -8.059879 2.4994 BFGS: 8949 16:21:37 -7.741822 2.5034 BFGS: 8950 16:21:37 -7.988869 2.5002 BFGS: 8951 16:21:37 -7.812834 2.5036 BFGS: 8952 16:21:37 -8.059878 2.4994 BFGS: 8953 16:21:37 -7.741825 2.5033 BFGS: 8954 16:21:37 -7.988871 2.5002 BFGS: 8955 16:21:37 -7.812834 2.5035 BFGS: 8956 16:21:37 -8.059878 2.4994 BFGS: 8957 16:21:37 -7.741828 2.5033 BFGS: 8958 16:21:37 -7.988872 2.5001 BFGS: 8959 16:21:37 -7.812835 2.5035 BFGS: 8960 16:21:37 -8.059877 2.4994 BFGS: 8961 16:21:37 -7.741831 2.5033 BFGS: 8962 16:21:37 -7.988874 2.5001 BFGS: 8963 16:21:37 -7.812836 2.5035 BFGS: 8964 16:21:37 -8.059876 2.4994 BFGS: 8965 16:21:37 -7.741833 2.5033 BFGS: 8966 16:21:37 -7.988876 2.5001 BFGS: 8967 16:21:37 -7.812836 2.5035 BFGS: 8968 16:21:37 -8.059876 2.4994 BFGS: 8969 16:21:37 -7.741836 2.5033 BFGS: 8970 16:21:37 -7.988878 2.5001 BFGS: 8971 16:21:37 -7.812837 2.5035 BFGS: 8972 16:21:37 -8.059875 2.4994 BFGS: 8973 16:21:37 -7.741839 2.5033 BFGS: 8974 16:21:38 -7.988879 2.5001 BFGS: 8975 16:21:38 -7.812837 2.5035 BFGS: 8976 16:21:38 -8.059875 2.4994 BFGS: 8977 16:21:38 -7.741842 2.5033 BFGS: 8978 16:21:38 -7.988881 2.5001 BFGS: 8979 16:21:38 -7.812838 2.5035 BFGS: 8980 16:21:38 -8.059874 2.4994 BFGS: 8981 16:21:38 -7.741845 2.5033 BFGS: 8982 16:21:38 -7.988883 2.5001 BFGS: 8983 16:21:38 -7.812838 2.5035 BFGS: 8984 16:21:38 -8.059873 2.4994 BFGS: 8985 16:21:38 -7.741848 2.5033 BFGS: 8986 16:21:38 -7.988885 2.5001 BFGS: 8987 16:21:38 -7.812839 2.5035 BFGS: 8988 16:21:38 -8.059873 2.4994 BFGS: 8989 16:21:38 -7.741851 2.5033 BFGS: 8990 16:21:38 -7.988887 2.5001 BFGS: 8991 16:21:38 -7.812839 2.5035 BFGS: 8992 16:21:38 -8.059872 2.4993 BFGS: 8993 16:21:38 -7.741854 2.5033 BFGS: 8994 16:21:38 -7.988888 2.5001 BFGS: 8995 16:21:38 -7.812840 2.5035 BFGS: 8996 16:21:38 -8.059871 2.4993 BFGS: 8997 16:21:38 -7.741857 2.5032 BFGS: 8998 16:21:38 -7.988890 2.5001 BFGS: 8999 16:21:38 -7.812840 2.5034 BFGS: 9000 16:21:38 -8.059871 2.4993 BFGS: 9001 16:21:38 -7.741860 2.5032 BFGS: 9002 16:21:38 -7.988892 2.5001 BFGS: 9003 16:21:38 -7.812841 2.5034 BFGS: 9004 16:21:38 -8.059870 2.4993 BFGS: 9005 16:21:38 -7.741863 2.5032 BFGS: 9006 16:21:38 -7.988894 2.5000 BFGS: 9007 16:21:38 -7.812841 2.5034 BFGS: 9008 16:21:38 -8.059869 2.4993 BFGS: 9009 16:21:38 -7.741866 2.5032 BFGS: 9010 16:21:38 -7.988896 2.5000 BFGS: 9011 16:21:38 -7.812842 2.5034 BFGS: 9012 16:21:38 -8.059869 2.4993 BFGS: 9013 16:21:38 -7.741869 2.5032 BFGS: 9014 16:21:38 -7.988897 2.5000 BFGS: 9015 16:21:38 -7.812842 2.5034 BFGS: 9016 16:21:38 -8.059868 2.4993 BFGS: 9017 16:21:38 -7.741872 2.5032 BFGS: 9018 16:21:38 -7.988899 2.5000 BFGS: 9019 16:21:38 -7.812843 2.5034 BFGS: 9020 16:21:38 -8.059867 2.4993 BFGS: 9021 16:21:38 -7.741875 2.5032 BFGS: 9022 16:21:38 -7.988901 2.5000 BFGS: 9023 16:21:38 -7.812843 2.5034 BFGS: 9024 16:21:38 -8.059866 2.4993 BFGS: 9025 16:21:38 -7.741878 2.5032 BFGS: 9026 16:21:38 -7.988903 2.5000 BFGS: 9027 16:21:38 -7.812844 2.5034 BFGS: 9028 16:21:38 -8.059866 2.4993 BFGS: 9029 16:21:38 -7.741881 2.5032 BFGS: 9030 16:21:38 -7.988905 2.5000 BFGS: 9031 16:21:38 -7.812844 2.5034 BFGS: 9032 16:21:38 -8.059865 2.4993 BFGS: 9033 16:21:38 -7.741884 2.5032 BFGS: 9034 16:21:38 -7.988907 2.5000 BFGS: 9035 16:21:38 -7.812845 2.5034 BFGS: 9036 16:21:38 -8.059864 2.4993 BFGS: 9037 16:21:38 -7.741887 2.5032 BFGS: 9038 16:21:38 -7.988909 2.5000 BFGS: 9039 16:21:38 -7.812845 2.5034 BFGS: 9040 16:21:38 -8.059864 2.4992 BFGS: 9041 16:21:38 -7.741890 2.5031 BFGS: 9042 16:21:38 -7.988910 2.5000 BFGS: 9043 16:21:38 -7.812846 2.5034 BFGS: 9044 16:21:38 -8.059863 2.4992 BFGS: 9045 16:21:38 -7.741893 2.5031 BFGS: 9046 16:21:38 -7.988912 2.5000 BFGS: 9047 16:21:38 -7.812846 2.5033 BFGS: 9048 16:21:38 -8.059862 2.4992 BFGS: 9049 16:21:38 -7.741896 2.5031 BFGS: 9050 16:21:38 -7.988914 2.4999 BFGS: 9051 16:21:38 -7.812846 2.5033 BFGS: 9052 16:21:38 -8.059861 2.4992 BFGS: 9053 16:21:38 -7.741899 2.5031 BFGS: 9054 16:21:38 -7.988916 2.4999 BFGS: 9055 16:21:38 -7.812847 2.5033 BFGS: 9056 16:21:38 -8.059861 2.4992 BFGS: 9057 16:21:38 -7.741902 2.5031 BFGS: 9058 16:21:38 -7.988918 2.4999 BFGS: 9059 16:21:38 -7.812847 2.5033 BFGS: 9060 16:21:38 -8.059860 2.4992 BFGS: 9061 16:21:38 -7.741905 2.5031 BFGS: 9062 16:21:38 -7.988920 2.4999 BFGS: 9063 16:21:38 -7.812848 2.5033 BFGS: 9064 16:21:38 -8.059859 2.4992 BFGS: 9065 16:21:38 -7.741909 2.5031 BFGS: 9066 16:21:38 -7.988922 2.4999 BFGS: 9067 16:21:38 -7.812848 2.5033 BFGS: 9068 16:21:38 -8.059858 2.4992 BFGS: 9069 16:21:38 -7.741912 2.5031 BFGS: 9070 16:21:38 -7.988924 2.4999 BFGS: 9071 16:21:38 -7.812848 2.5033 BFGS: 9072 16:21:38 -8.059858 2.4992 BFGS: 9073 16:21:38 -7.741915 2.5031 BFGS: 9074 16:21:38 -7.988926 2.4999 BFGS: 9075 16:21:38 -7.812849 2.5033 BFGS: 9076 16:21:38 -8.059857 2.4992 BFGS: 9077 16:21:38 -7.741918 2.5031 BFGS: 9078 16:21:38 -7.988928 2.4999 BFGS: 9079 16:21:38 -7.812849 2.5033 BFGS: 9080 16:21:38 -8.059856 2.4992 BFGS: 9081 16:21:38 -7.741921 2.5031 BFGS: 9082 16:21:38 -7.988929 2.4999 BFGS: 9083 16:21:38 -7.812850 2.5033 BFGS: 9084 16:21:38 -8.059855 2.4991 BFGS: 9085 16:21:38 -7.741924 2.5030 BFGS: 9086 16:21:38 -7.988931 2.4999 BFGS: 9087 16:21:38 -7.812850 2.5033 BFGS: 9088 16:21:38 -8.059854 2.4991 BFGS: 9089 16:21:38 -7.741927 2.5030 BFGS: 9090 16:21:38 -7.988933 2.4999 BFGS: 9091 16:21:38 -7.812850 2.5032 BFGS: 9092 16:21:38 -8.059854 2.4991 BFGS: 9093 16:21:38 -7.741930 2.5030 BFGS: 9094 16:21:38 -7.988935 2.4999 BFGS: 9095 16:21:38 -7.812851 2.5032 BFGS: 9096 16:21:38 -8.059853 2.4991 BFGS: 9097 16:21:38 -7.741933 2.5030 BFGS: 9098 16:21:38 -7.988937 2.4998 BFGS: 9099 16:21:38 -7.812851 2.5032 BFGS: 9100 16:21:38 -8.059852 2.4991 BFGS: 9101 16:21:38 -7.741936 2.5030 BFGS: 9102 16:21:38 -7.988939 2.4998 BFGS: 9103 16:21:38 -7.812852 2.5032 BFGS: 9104 16:21:38 -8.059851 2.4991 BFGS: 9105 16:21:38 -7.741939 2.5030 BFGS: 9106 16:21:38 -7.988941 2.4998 BFGS: 9107 16:21:38 -7.812852 2.5032 BFGS: 9108 16:21:38 -8.059850 2.4991 BFGS: 9109 16:21:38 -7.741943 2.5030 BFGS: 9110 16:21:38 -7.988943 2.4998 BFGS: 9111 16:21:38 -7.812852 2.5032 BFGS: 9112 16:21:38 -8.059850 2.4991 BFGS: 9113 16:21:38 -7.741946 2.5030 BFGS: 9114 16:21:38 -7.988945 2.4998 BFGS: 9115 16:21:38 -7.812853 2.5032 BFGS: 9116 16:21:38 -8.059849 2.4991 BFGS: 9117 16:21:38 -7.741949 2.5030 BFGS: 9118 16:21:38 -7.988947 2.4998 BFGS: 9119 16:21:38 -7.812853 2.5032 BFGS: 9120 16:21:38 -8.059848 2.4991 BFGS: 9121 16:21:38 -7.741952 2.5030 BFGS: 9122 16:21:38 -7.988949 2.4998 BFGS: 9123 16:21:38 -7.812853 2.5032 BFGS: 9124 16:21:38 -8.059847 2.4991 BFGS: 9125 16:21:38 -7.741955 2.5030 BFGS: 9126 16:21:38 -7.988951 2.4998 BFGS: 9127 16:21:38 -7.812854 2.5032 BFGS: 9128 16:21:38 -8.059846 2.4991 BFGS: 9129 16:21:38 -7.741958 2.5030 BFGS: 9130 16:21:38 -7.988953 2.4998 BFGS: 9131 16:21:38 -7.812854 2.5032 BFGS: 9132 16:21:38 -8.059845 2.4990 BFGS: 9133 16:21:38 -7.741961 2.5029 BFGS: 9134 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16:21:41 -8.059623 2.4976 BFGS: 9837 16:21:41 -7.742584 2.5014 BFGS: 9838 16:21:41 -7.989375 2.4983 BFGS: 9839 16:21:41 -7.812834 2.5016 BFGS: 9840 16:21:41 -8.059621 2.4976 BFGS: 9841 16:21:41 -7.742588 2.5014 BFGS: 9842 16:21:41 -7.989378 2.4983 BFGS: 9843 16:21:41 -7.812834 2.5016 BFGS: 9844 16:21:41 -8.059619 2.4975 BFGS: 9845 16:21:41 -7.742591 2.5014 BFGS: 9846 16:21:41 -7.989381 2.4982 BFGS: 9847 16:21:41 -7.812833 2.5016 BFGS: 9848 16:21:41 -8.059618 2.4975 BFGS: 9849 16:21:41 -7.742595 2.5014 BFGS: 9850 16:21:41 -7.989383 2.4982 BFGS: 9851 16:21:41 -7.812833 2.5016 BFGS: 9852 16:21:41 -8.059616 2.4975 BFGS: 9853 16:21:41 -7.742599 2.5014 BFGS: 9854 16:21:41 -7.989386 2.4982 BFGS: 9855 16:21:41 -7.812832 2.5016 BFGS: 9856 16:21:41 -8.059614 2.4975 BFGS: 9857 16:21:41 -7.742603 2.5014 BFGS: 9858 16:21:41 -7.989389 2.4982 BFGS: 9859 16:21:41 -7.812832 2.5016 BFGS: 9860 16:21:41 -8.059613 2.4975 BFGS: 9861 16:21:41 -7.742607 2.5014 BFGS: 9862 16:21:41 -7.989392 2.4982 BFGS: 9863 16:21:41 -7.812831 2.5016 BFGS: 9864 16:21:41 -8.059611 2.4975 BFGS: 9865 16:21:41 -7.742611 2.5014 BFGS: 9866 16:21:41 -7.989394 2.4982 BFGS: 9867 16:21:41 -7.812831 2.5016 BFGS: 9868 16:21:41 -8.059609 2.4975 BFGS: 9869 16:21:41 -7.742615 2.5013 BFGS: 9870 16:21:41 -7.989397 2.4982 BFGS: 9871 16:21:41 -7.812830 2.5016 BFGS: 9872 16:21:41 -8.059608 2.4975 BFGS: 9873 16:21:41 -7.742619 2.5013 BFGS: 9874 16:21:41 -7.989400 2.4982 BFGS: 9875 16:21:41 -7.812830 2.5016 BFGS: 9876 16:21:41 -8.059606 2.4975 BFGS: 9877 16:21:41 -7.742623 2.5013 BFGS: 9878 16:21:41 -7.989403 2.4982 BFGS: 9879 16:21:41 -7.812829 2.5016 BFGS: 9880 16:21:41 -8.059604 2.4975 BFGS: 9881 16:21:41 -7.742626 2.5013 BFGS: 9882 16:21:41 -7.989406 2.4982 BFGS: 9883 16:21:41 -7.812828 2.5015 BFGS: 9884 16:21:41 -8.059603 2.4975 BFGS: 9885 16:21:41 -7.742630 2.5013 BFGS: 9886 16:21:41 -7.989408 2.4982 BFGS: 9887 16:21:41 -7.812828 2.5015 BFGS: 9888 16:21:41 -8.059601 2.4975 BFGS: 9889 16:21:41 -7.742634 2.5013 BFGS: 9890 16:21:41 -7.989411 2.4982 BFGS: 9891 16:21:41 -7.812827 2.5015 BFGS: 9892 16:21:41 -8.059599 2.4975 BFGS: 9893 16:21:41 -7.742638 2.5013 BFGS: 9894 16:21:41 -7.989414 2.4981 BFGS: 9895 16:21:41 -7.812827 2.5015 BFGS: 9896 16:21:41 -8.059598 2.4974 BFGS: 9897 16:21:41 -7.742642 2.5013 BFGS: 9898 16:21:41 -7.989417 2.4981 BFGS: 9899 16:21:41 -7.812826 2.5015 BFGS: 9900 16:21:41 -8.059596 2.4974 BFGS: 9901 16:21:41 -7.742646 2.5013 BFGS: 9902 16:21:41 -7.989420 2.4981 BFGS: 9903 16:21:41 -7.812826 2.5015 BFGS: 9904 16:21:41 -8.059594 2.4974 BFGS: 9905 16:21:41 -7.742650 2.5013 BFGS: 9906 16:21:41 -7.989422 2.4981 BFGS: 9907 16:21:41 -7.812825 2.5015 BFGS: 9908 16:21:41 -8.059593 2.4974 BFGS: 9909 16:21:41 -7.742654 2.5013 BFGS: 9910 16:21:41 -7.989425 2.4981 BFGS: 9911 16:21:41 -7.812825 2.5015 BFGS: 9912 16:21:41 -8.059591 2.4974 BFGS: 9913 16:21:41 -7.742658 2.5013 BFGS: 9914 16:21:41 -7.989428 2.4981 BFGS: 9915 16:21:41 -7.812824 2.5015 BFGS: 9916 16:21:41 -8.059589 2.4974 BFGS: 9917 16:21:41 -7.742662 2.5012 BFGS: 9918 16:21:41 -7.989431 2.4981 BFGS: 9919 16:21:41 -7.812823 2.5015 BFGS: 9920 16:21:41 -8.059587 2.4974 BFGS: 9921 16:21:41 -7.742666 2.5012 BFGS: 9922 16:21:41 -7.989434 2.4981 BFGS: 9923 16:21:41 -7.812823 2.5015 BFGS: 9924 16:21:41 -8.059586 2.4974 BFGS: 9925 16:21:41 -7.742670 2.5012 BFGS: 9926 16:21:41 -7.989436 2.4981 BFGS: 9927 16:21:41 -7.812822 2.5015 BFGS: 9928 16:21:41 -8.059584 2.4974 BFGS: 9929 16:21:41 -7.742674 2.5012 BFGS: 9930 16:21:41 -7.989439 2.4981 BFGS: 9931 16:21:41 -7.812822 2.5014 BFGS: 9932 16:21:41 -8.059582 2.4974 BFGS: 9933 16:21:41 -7.742678 2.5012 BFGS: 9934 16:21:41 -7.989442 2.4981 BFGS: 9935 16:21:41 -7.812821 2.5014 BFGS: 9936 16:21:41 -8.059581 2.4974 BFGS: 9937 16:21:41 -7.742682 2.5012 BFGS: 9938 16:21:41 -7.989445 2.4981 BFGS: 9939 16:21:41 -7.812820 2.5014 BFGS: 9940 16:21:41 -8.059579 2.4974 BFGS: 9941 16:21:41 -7.742686 2.5012 BFGS: 9942 16:21:41 -7.989448 2.4981 BFGS: 9943 16:21:41 -7.812820 2.5014 BFGS: 9944 16:21:41 -8.059577 2.4973 BFGS: 9945 16:21:41 -7.742690 2.5012 BFGS: 9946 16:21:41 -7.989451 2.4980 BFGS: 9947 16:21:41 -7.812819 2.5014 BFGS: 9948 16:21:41 -8.059575 2.4973 BFGS: 9949 16:21:41 -7.742694 2.5012 BFGS: 9950 16:21:41 -7.989453 2.4980 BFGS: 9951 16:21:41 -7.812819 2.5014 BFGS: 9952 16:21:41 -8.059574 2.4973 BFGS: 9953 16:21:41 -7.742698 2.5012 BFGS: 9954 16:21:41 -7.989456 2.4980 BFGS: 9955 16:21:41 -7.812818 2.5014 BFGS: 9956 16:21:41 -8.059572 2.4973 BFGS: 9957 16:21:41 -7.742702 2.5012 BFGS: 9958 16:21:41 -7.989459 2.4980 BFGS: 9959 16:21:41 -7.812817 2.5014 BFGS: 9960 16:21:41 -8.059570 2.4973 BFGS: 9961 16:21:41 -7.742706 2.5012 BFGS: 9962 16:21:41 -7.989462 2.4980 BFGS: 9963 16:21:41 -7.812817 2.5014 BFGS: 9964 16:21:41 -8.059568 2.4973 BFGS: 9965 16:21:41 -7.742709 2.5011 BFGS: 9966 16:21:41 -7.989465 2.4980 BFGS: 9967 16:21:41 -7.812816 2.5014 BFGS: 9968 16:21:41 -8.059567 2.4973 BFGS: 9969 16:21:41 -7.742713 2.5011 BFGS: 9970 16:21:41 -7.989468 2.4980 BFGS: 9971 16:21:41 -7.812816 2.5014 BFGS: 9972 16:21:41 -8.059565 2.4973 BFGS: 9973 16:21:41 -7.742717 2.5011 BFGS: 9974 16:21:41 -7.989471 2.4980 BFGS: 9975 16:21:41 -7.812815 2.5014 BFGS: 9976 16:21:41 -8.059563 2.4973 BFGS: 9977 16:21:41 -7.742721 2.5011 BFGS: 9978 16:21:41 -7.989473 2.4980 BFGS: 9979 16:21:41 -7.812814 2.5013 BFGS: 9980 16:21:41 -8.059561 2.4973 BFGS: 9981 16:21:41 -7.742725 2.5011 BFGS: 9982 16:21:41 -7.989476 2.4980 BFGS: 9983 16:21:41 -7.812814 2.5013 BFGS: 9984 16:21:41 -8.059560 2.4973 BFGS: 9985 16:21:41 -7.742729 2.5011 BFGS: 9986 16:21:41 -7.989479 2.4980 BFGS: 9987 16:21:41 -7.812813 2.5013 BFGS: 9988 16:21:41 -8.059558 2.4973 BFGS: 9989 16:21:41 -7.742733 2.5011 BFGS: 9990 16:21:41 -7.989482 2.4980 BFGS: 9991 16:21:41 -7.812812 2.5013 BFGS: 9992 16:21:41 -8.059556 2.4972 BFGS: 9993 16:21:41 -7.742737 2.5011 BFGS: 9994 16:21:41 -7.989485 2.4979 BFGS: 9995 16:21:41 -7.812812 2.5013 BFGS: 9996 16:21:41 -8.059554 2.4972 BFGS: 9997 16:21:41 -7.742741 2.5011 BFGS: 9998 16:21:41 -7.989488 2.4979 BFGS: 9999 16:21:41 -7.812811 2.5013 BFGS: 10000 16:21:41 -8.059552 2.4972 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 1.8377092057267643 eV/Angstrom Maximum stress component: 0.0003084164963954315 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['O', 'O', 'O', 'O'] basis = [[9.98147415e-01 7.29589123e-34 9.97790252e-01] [1.85258514e-03 0.00000000e+00 2.20974753e-03] [4.98147415e-01 5.00000000e-01 9.97790252e-01] [5.01852585e-01 5.00000000e-01 2.20974753e-03]] cellpar = Cell([[9.50491746231206, 2.523729908591628e-17, -0.025157532726130413], [1.3763552832619742e-17, 5.535217323300857, -1.5978555423376398e-17], [-6.106955799013847, -3.268613225764685e-17, 4.706041962517304]]) forces = [[ 7.32436523e-01 -4.51616537e-18 1.83770921e+00] [-7.32436523e-01 4.51616537e-18 -1.83770921e+00] [ 7.32436523e-01 -4.51616537e-18 1.83770921e+00] [-7.32436523e-01 4.51616537e-18 -1.83770921e+00]] stress = [-4.37645202e-05 -3.14568291e-05 3.08416496e-04 -7.21137784e-21 1.23168101e-04 1.24596471e-22] energy per atom = -2.0148880942645917 =============================================== ==== Building ASE atoms object with: ==== representative atom symbols = ['O'] representative atom coordinates = [[0.18473196 0. 0.08877069]] spacegroup = 12 cell = [[4.8144, 0, 0], [0, 3.9311, 0], [-3.7136218422721, 0, 2.9154221825663]] ========================================= Step Time Energy fmax BFGS: 0 16:21:42 7.079020 2.6836 BFGS: 1 16:21:42 6.822462 2.5085 BFGS: 2 16:21:42 6.505134 2.3027 BFGS: 3 16:21:43 6.205130 2.1684 BFGS: 4 16:21:43 5.919908 2.0753 BFGS: 5 16:21:43 5.652565 1.9854 BFGS: 6 16:21:43 5.400849 1.8979 BFGS: 7 16:21:43 5.162108 1.8114 BFGS: 8 16:21:43 4.933842 1.7263 BFGS: 9 16:21:43 4.713422 1.6437 BFGS: 10 16:21:43 4.496829 1.5804 BFGS: 11 16:21:43 4.277980 1.5344 BFGS: 12 16:21:43 4.016449 1.5249 BFGS: 13 16:21:43 3.686008 1.5775 BFGS: 14 16:21:43 3.299879 1.6559 BFGS: 15 16:21:43 2.853576 1.7429 BFGS: 16 16:21:43 2.344027 1.8249 BFGS: 17 16:21:43 1.805842 1.8887 BFGS: 18 16:21:43 1.262166 1.9315 BFGS: 19 16:21:43 0.200962 3.1965 BFGS: 20 16:21:43 -0.681183 4.5311 BFGS: 21 16:21:43 -1.917383 4.3780 BFGS: 22 16:21:43 -2.849753 4.0685 BFGS: 23 16:21:43 -3.583773 3.7387 BFGS: 24 16:21:43 -4.245254 3.4200 BFGS: 25 16:21:43 -4.844888 3.1158 BFGS: 26 16:21:43 -5.049220 2.7772 BFGS: 27 16:21:43 -5.331664 2.7751 BFGS: 28 16:21:43 -5.604164 2.7675 BFGS: 29 16:21:43 -5.867647 2.7489 BFGS: 30 16:21:43 -6.121734 2.7261 BFGS: 31 16:21:43 -6.310761 2.6696 BFGS: 32 16:21:43 -6.475657 2.7611 BFGS: 33 16:21:43 -6.625103 2.7620 BFGS: 34 16:21:43 -6.763488 2.7865 BFGS: 35 16:21:43 -6.892043 2.7866 BFGS: 36 16:21:43 -6.972131 2.8015 BFGS: 37 16:21:43 -7.057026 2.8141 BFGS: 38 16:21:43 -7.132197 2.8543 BFGS: 39 16:21:43 -7.198058 2.8550 BFGS: 40 16:21:43 -7.253585 2.8736 BFGS: 41 16:21:43 -7.293870 2.9519 BFGS: 42 16:21:43 -7.330376 2.9752 BFGS: 43 16:21:43 -7.363352 2.9955 BFGS: 44 16:21:43 -7.391308 3.0089 BFGS: 45 16:21:43 -7.419037 2.9997 BFGS: 46 16:21:43 -7.446385 3.0150 BFGS: 47 16:21:43 -7.476503 3.0287 BFGS: 48 16:21:43 -7.508477 3.0487 BFGS: 49 16:21:43 -7.542034 3.0705 BFGS: 50 16:21:43 -7.576881 3.0929 BFGS: 51 16:21:43 -7.612722 3.1156 BFGS: 52 16:21:43 -7.649260 3.1385 BFGS: 53 16:21:43 -7.686198 3.1616 BFGS: 54 16:21:43 -7.723240 3.1848 BFGS: 55 16:21:43 -7.760097 3.2080 BFGS: 56 16:21:43 -7.796510 3.2314 BFGS: 57 16:21:43 -7.832223 3.2547 BFGS: 58 16:21:43 -7.866980 3.2780 BFGS: 59 16:21:43 -7.900531 3.3013 BFGS: 60 16:21:43 -7.932627 3.3245 BFGS: 61 16:21:43 -7.963024 3.3475 BFGS: 62 16:21:43 -7.991485 3.3704 BFGS: 63 16:21:43 -8.017784 3.3931 BFGS: 64 16:21:43 -8.041706 3.4154 BFGS: 65 16:21:43 -8.063054 3.4372 BFGS: 66 16:21:43 -8.081661 3.4583 BFGS: 67 16:21:43 -8.097403 3.4783 BFGS: 68 16:21:43 -8.110238 3.4964 BFGS: 69 16:21:43 -8.120272 3.5111 BFGS: 70 16:21:43 -8.128104 3.5161 BFGS: 71 16:21:43 -8.135774 3.5111 BFGS: 72 16:21:43 -8.140245 3.6393 BFGS: 73 16:21:43 -8.141974 3.6517 BFGS: 74 16:21:43 -8.120548 3.6498 BFGS: 75 16:21:43 -8.137175 3.6360 BFGS: 76 16:21:43 -8.127587 3.6161 BFGS: 77 16:21:43 -8.142750 3.6277 BFGS: 78 16:21:43 -8.117661 3.6520 BFGS: 79 16:21:43 -8.135309 3.6406 BFGS: 80 16:21:43 -8.125191 3.6167 BFGS: 81 16:21:43 -8.142464 3.6262 BFGS: 82 16:21:43 -8.114328 3.6531 BFGS: 83 16:21:43 -8.133804 3.6418 BFGS: 84 16:21:43 -8.122955 3.6175 BFGS: 85 16:21:43 -8.142079 3.6269 BFGS: 86 16:21:43 -8.110957 3.6539 BFGS: 87 16:21:43 -8.132329 3.6426 BFGS: 88 16:21:43 -8.120727 3.6181 BFGS: 89 16:21:43 -8.141684 3.6277 BFGS: 90 16:21:43 -8.107598 3.6545 BFGS: 91 16:21:43 -8.130866 3.6431 BFGS: 92 16:21:43 -8.118494 3.6186 BFGS: 93 16:21:43 -8.141281 3.6282 BFGS: 94 16:21:43 -8.104256 3.6550 BFGS: 95 16:21:43 -8.129416 3.6435 BFGS: 96 16:21:43 -8.116254 3.6189 BFGS: 97 16:21:43 -8.140867 3.6287 BFGS: 98 16:21:43 -8.100935 3.6553 BFGS: 99 16:21:43 -8.127981 3.6437 BFGS: 100 16:21:43 -8.114002 3.6191 BFGS: 101 16:21:43 -8.140441 3.6290 BFGS: 102 16:21:43 -8.097638 3.6556 BFGS: 103 16:21:43 -8.126564 3.6439 BFGS: 104 16:21:43 -8.111739 3.6192 BFGS: 105 16:21:43 -8.139999 3.6293 BFGS: 106 16:21:43 -8.094367 3.6558 BFGS: 107 16:21:43 -8.125168 3.6441 BFGS: 108 16:21:43 -8.109464 3.6193 BFGS: 109 16:21:43 -8.139540 3.6295 BFGS: 110 16:21:43 -8.091124 3.6559 BFGS: 111 16:21:43 -8.123795 3.6441 BFGS: 112 16:21:43 -8.107175 3.6193 BFGS: 113 16:21:43 -8.139063 3.6296 BFGS: 114 16:21:43 -8.087912 3.6560 BFGS: 115 16:21:43 -8.122447 3.6442 BFGS: 116 16:21:43 -8.104872 3.6193 BFGS: 117 16:21:43 -8.138567 3.6297 BFGS: 118 16:21:43 -8.084732 3.6560 BFGS: 119 16:21:43 -8.121123 3.6442 BFGS: 120 16:21:43 -8.102555 3.6193 BFGS: 121 16:21:43 -8.138052 3.6298 BFGS: 122 16:21:43 -8.081586 3.6561 BFGS: 123 16:21:43 -8.119827 3.6441 BFGS: 124 16:21:43 -8.100223 3.6192 BFGS: 125 16:21:43 -8.137515 3.6298 BFGS: 126 16:21:43 -8.078475 3.6560 BFGS: 127 16:21:43 -8.118558 3.6441 BFGS: 128 16:21:43 -8.097877 3.6191 BFGS: 129 16:21:43 -8.136958 3.6298 BFGS: 130 16:21:43 -8.075400 3.6560 BFGS: 131 16:21:43 -8.117319 3.6440 BFGS: 132 16:21:43 -8.095517 3.6190 BFGS: 133 16:21:43 -8.136378 3.6298 BFGS: 134 16:21:43 -8.072362 3.6559 BFGS: 135 16:21:43 -8.116108 3.6439 BFGS: 136 16:21:43 -8.093141 3.6188 BFGS: 137 16:21:43 -8.135777 3.6297 BFGS: 138 16:21:43 -8.069362 3.6559 BFGS: 139 16:21:43 -8.114927 3.6438 BFGS: 140 16:21:43 -8.090751 3.6187 BFGS: 141 16:21:43 -8.135153 3.6296 BFGS: 142 16:21:43 -8.066400 3.6558 BFGS: 143 16:21:43 -8.113777 3.6436 BFGS: 144 16:21:43 -8.088345 3.6185 BFGS: 145 16:21:43 -8.134507 3.6295 BFGS: 146 16:21:43 -8.063477 3.6557 BFGS: 147 16:21:43 -8.112658 3.6435 BFGS: 148 16:21:43 -8.085925 3.6183 BFGS: 149 16:21:43 -8.133838 3.6294 BFGS: 150 16:21:43 -8.060594 3.6555 BFGS: 151 16:21:43 -8.111569 3.6433 BFGS: 152 16:21:43 -8.083489 3.6181 BFGS: 153 16:21:43 -8.133146 3.6293 BFGS: 154 16:21:43 -8.057750 3.6554 BFGS: 155 16:21:43 -8.110512 3.6432 BFGS: 156 16:21:43 -8.081039 3.6179 BFGS: 157 16:21:43 -8.132431 3.6291 BFGS: 158 16:21:43 -8.054947 3.6553 BFGS: 159 16:21:43 -8.109486 3.6430 BFGS: 160 16:21:43 -8.078574 3.6177 BFGS: 161 16:21:43 -8.131692 3.6290 BFGS: 162 16:21:43 -8.052183 3.6551 BFGS: 163 16:21:43 -8.108492 3.6428 BFGS: 164 16:21:43 -8.076093 3.6175 BFGS: 165 16:21:43 -8.130930 3.6288 BFGS: 166 16:21:43 -8.049459 3.6549 BFGS: 167 16:21:43 -8.107530 3.6426 BFGS: 168 16:21:43 -8.073597 3.6172 BFGS: 169 16:21:43 -8.130145 3.6287 BFGS: 170 16:21:43 -8.046776 3.6548 BFGS: 171 16:21:43 -8.106599 3.6424 BFGS: 172 16:21:43 -8.071086 3.6170 BFGS: 173 16:21:43 -8.129337 3.6285 BFGS: 174 16:21:43 -8.044132 3.6546 BFGS: 175 16:21:43 -8.105700 3.6422 BFGS: 176 16:21:43 -8.068560 3.6168 BFGS: 177 16:21:43 -8.128505 3.6283 BFGS: 178 16:21:43 -8.041529 3.6544 BFGS: 179 16:21:43 -8.104832 3.6420 BFGS: 180 16:21:43 -8.066019 3.6165 BFGS: 181 16:21:43 -8.127650 3.6281 BFGS: 182 16:21:43 -8.038965 3.6542 BFGS: 183 16:21:43 -8.103996 3.6418 BFGS: 184 16:21:43 -8.063462 3.6163 BFGS: 185 16:21:43 -8.126771 3.6279 BFGS: 186 16:21:43 -8.036441 3.6540 BFGS: 187 16:21:43 -8.103192 3.6416 BFGS: 188 16:21:43 -8.060890 3.6160 BFGS: 189 16:21:43 -8.125870 3.6277 BFGS: 190 16:21:43 -8.033957 3.6538 BFGS: 191 16:21:43 -8.102418 3.6414 BFGS: 192 16:21:43 -8.058302 3.6158 BFGS: 193 16:21:43 -8.124944 3.6275 BFGS: 194 16:21:43 -8.031511 3.6536 BFGS: 195 16:21:43 -8.101676 3.6411 BFGS: 196 16:21:43 -8.055699 3.6155 BFGS: 197 16:21:43 -8.123996 3.6273 BFGS: 198 16:21:43 -8.029105 3.6534 BFGS: 199 16:21:43 -8.100965 3.6409 BFGS: 200 16:21:43 -8.053081 3.6152 BFGS: 201 16:21:43 -8.123024 3.6270 BFGS: 202 16:21:43 -8.026737 3.6531 BFGS: 203 16:21:43 -8.100285 3.6407 BFGS: 204 16:21:43 -8.050446 3.6150 BFGS: 205 16:21:43 -8.122029 3.6268 BFGS: 206 16:21:43 -8.024407 3.6529 BFGS: 207 16:21:43 -8.099635 3.6404 BFGS: 208 16:21:43 -8.047796 3.6147 BFGS: 209 16:21:43 -8.121011 3.6266 BFGS: 210 16:21:43 -8.022115 3.6527 BFGS: 211 16:21:43 -8.099016 3.6402 BFGS: 212 16:21:43 -8.045130 3.6144 BFGS: 213 16:21:43 -8.119970 3.6263 BFGS: 214 16:21:43 -8.019861 3.6524 BFGS: 215 16:21:43 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-7.872051 3.3359 BFGS: 9714 16:22:18 -7.756464 3.3482 BFGS: 9715 16:22:18 -8.091274 3.3303 BFGS: 9716 16:22:19 -7.537422 3.3478 BFGS: 9717 16:22:19 -7.871920 3.3359 BFGS: 9718 16:22:19 -7.756613 3.3481 BFGS: 9719 16:22:19 -8.091414 3.3302 BFGS: 9720 16:22:19 -7.537299 3.3477 BFGS: 9721 16:22:19 -7.871788 3.3358 BFGS: 9722 16:22:19 -7.756761 3.3480 BFGS: 9723 16:22:19 -8.091554 3.3301 BFGS: 9724 16:22:19 -7.537176 3.3477 BFGS: 9725 16:22:19 -7.871656 3.3357 BFGS: 9726 16:22:19 -7.756910 3.3479 BFGS: 9727 16:22:19 -8.091694 3.3301 BFGS: 9728 16:22:19 -7.537053 3.3476 BFGS: 9729 16:22:19 -7.871525 3.3356 BFGS: 9730 16:22:19 -7.757059 3.3478 BFGS: 9731 16:22:19 -8.091834 3.3300 BFGS: 9732 16:22:19 -7.536930 3.3475 BFGS: 9733 16:22:19 -7.871393 3.3356 BFGS: 9734 16:22:19 -7.757208 3.3478 BFGS: 9735 16:22:19 -8.091975 3.3299 BFGS: 9736 16:22:19 -7.536807 3.3474 BFGS: 9737 16:22:19 -7.871261 3.3355 BFGS: 9738 16:22:19 -7.757357 3.3477 BFGS: 9739 16:22:19 -8.092115 3.3298 BFGS: 9740 16:22:19 -7.536683 3.3473 BFGS: 9741 16:22:19 -7.871128 3.3354 BFGS: 9742 16:22:19 -7.757506 3.3476 BFGS: 9743 16:22:19 -8.092256 3.3297 BFGS: 9744 16:22:19 -7.536560 3.3473 BFGS: 9745 16:22:19 -7.870996 3.3353 BFGS: 9746 16:22:19 -7.757655 3.3475 BFGS: 9747 16:22:19 -8.092397 3.3296 BFGS: 9748 16:22:19 -7.536436 3.3472 BFGS: 9749 16:22:19 -7.870864 3.3353 BFGS: 9750 16:22:19 -7.757805 3.3474 BFGS: 9751 16:22:19 -8.092538 3.3296 BFGS: 9752 16:22:19 -7.536312 3.3471 BFGS: 9753 16:22:19 -7.870731 3.3352 BFGS: 9754 16:22:19 -7.757954 3.3474 BFGS: 9755 16:22:19 -8.092679 3.3295 BFGS: 9756 16:22:19 -7.536188 3.3470 BFGS: 9757 16:22:19 -7.870598 3.3351 BFGS: 9758 16:22:19 -7.758104 3.3473 BFGS: 9759 16:22:19 -8.092820 3.3294 BFGS: 9760 16:22:19 -7.536064 3.3469 BFGS: 9761 16:22:19 -7.870465 3.3350 BFGS: 9762 16:22:19 -7.758254 3.3472 BFGS: 9763 16:22:19 -8.092961 3.3293 BFGS: 9764 16:22:19 -7.535940 3.3469 BFGS: 9765 16:22:19 -7.870332 3.3350 BFGS: 9766 16:22:19 -7.758404 3.3471 BFGS: 9767 16:22:19 -8.093103 3.3292 BFGS: 9768 16:22:19 -7.535816 3.3468 BFGS: 9769 16:22:19 -7.870199 3.3349 BFGS: 9770 16:22:19 -7.758554 3.3470 BFGS: 9771 16:22:19 -8.093244 3.3292 BFGS: 9772 16:22:19 -7.535691 3.3467 BFGS: 9773 16:22:19 -7.870066 3.3348 BFGS: 9774 16:22:19 -7.758705 3.3469 BFGS: 9775 16:22:19 -8.093386 3.3291 BFGS: 9776 16:22:19 -7.535567 3.3466 BFGS: 9777 16:22:19 -7.869933 3.3347 BFGS: 9778 16:22:19 -7.758855 3.3469 BFGS: 9779 16:22:19 -8.093528 3.3290 BFGS: 9780 16:22:19 -7.535442 3.3466 BFGS: 9781 16:22:19 -7.869799 3.3347 BFGS: 9782 16:22:19 -7.759006 3.3468 BFGS: 9783 16:22:19 -8.093670 3.3289 BFGS: 9784 16:22:19 -7.535317 3.3465 BFGS: 9785 16:22:19 -7.869665 3.3346 BFGS: 9786 16:22:19 -7.759156 3.3467 BFGS: 9787 16:22:19 -8.093812 3.3288 BFGS: 9788 16:22:19 -7.535192 3.3464 BFGS: 9789 16:22:19 -7.869532 3.3345 BFGS: 9790 16:22:19 -7.759307 3.3466 BFGS: 9791 16:22:19 -8.093954 3.3287 BFGS: 9792 16:22:19 -7.535067 3.3463 BFGS: 9793 16:22:19 -7.869398 3.3344 BFGS: 9794 16:22:19 -7.759458 3.3465 BFGS: 9795 16:22:19 -8.094097 3.3287 BFGS: 9796 16:22:19 -7.534942 3.3462 BFGS: 9797 16:22:19 -7.869264 3.3344 BFGS: 9798 16:22:19 -7.759609 3.3465 BFGS: 9799 16:22:19 -8.094239 3.3286 BFGS: 9800 16:22:19 -7.534817 3.3462 BFGS: 9801 16:22:19 -7.869130 3.3343 BFGS: 9802 16:22:19 -7.759760 3.3464 BFGS: 9803 16:22:19 -8.094382 3.3285 BFGS: 9804 16:22:19 -7.534691 3.3461 BFGS: 9805 16:22:19 -7.868995 3.3342 BFGS: 9806 16:22:19 -7.759912 3.3463 BFGS: 9807 16:22:19 -8.094524 3.3284 BFGS: 9808 16:22:19 -7.534566 3.3460 BFGS: 9809 16:22:19 -7.868861 3.3341 BFGS: 9810 16:22:19 -7.760063 3.3462 BFGS: 9811 16:22:19 -8.094667 3.3283 BFGS: 9812 16:22:19 -7.534440 3.3459 BFGS: 9813 16:22:19 -7.868726 3.3341 BFGS: 9814 16:22:19 -7.760215 3.3461 BFGS: 9815 16:22:19 -8.094810 3.3283 BFGS: 9816 16:22:19 -7.534314 3.3459 BFGS: 9817 16:22:19 -7.868592 3.3340 BFGS: 9818 16:22:19 -7.760366 3.3461 BFGS: 9819 16:22:19 -8.094953 3.3282 BFGS: 9820 16:22:19 -7.534188 3.3458 BFGS: 9821 16:22:19 -7.868457 3.3339 BFGS: 9822 16:22:19 -7.760518 3.3460 BFGS: 9823 16:22:19 -8.095097 3.3281 BFGS: 9824 16:22:19 -7.534062 3.3457 BFGS: 9825 16:22:19 -7.868322 3.3339 BFGS: 9826 16:22:19 -7.760670 3.3459 BFGS: 9827 16:22:19 -8.095240 3.3280 BFGS: 9828 16:22:19 -7.533936 3.3456 BFGS: 9829 16:22:19 -7.868187 3.3338 BFGS: 9830 16:22:19 -7.760822 3.3458 BFGS: 9831 16:22:19 -8.095384 3.3279 BFGS: 9832 16:22:19 -7.533810 3.3455 BFGS: 9833 16:22:19 -7.868052 3.3337 BFGS: 9834 16:22:19 -7.760974 3.3457 BFGS: 9835 16:22:19 -8.095527 3.3278 BFGS: 9836 16:22:19 -7.533683 3.3455 BFGS: 9837 16:22:19 -7.867917 3.3336 BFGS: 9838 16:22:19 -7.761127 3.3457 BFGS: 9839 16:22:19 -8.095671 3.3278 BFGS: 9840 16:22:19 -7.533557 3.3454 BFGS: 9841 16:22:19 -7.867781 3.3336 BFGS: 9842 16:22:19 -7.761279 3.3456 BFGS: 9843 16:22:19 -8.095815 3.3277 BFGS: 9844 16:22:19 -7.533430 3.3453 BFGS: 9845 16:22:19 -7.867646 3.3335 BFGS: 9846 16:22:19 -7.761432 3.3455 BFGS: 9847 16:22:19 -8.095959 3.3276 BFGS: 9848 16:22:19 -7.533303 3.3452 BFGS: 9849 16:22:19 -7.867510 3.3334 BFGS: 9850 16:22:19 -7.761584 3.3454 BFGS: 9851 16:22:19 -8.096103 3.3275 BFGS: 9852 16:22:19 -7.533176 3.3452 BFGS: 9853 16:22:19 -7.867374 3.3333 BFGS: 9854 16:22:19 -7.761737 3.3453 BFGS: 9855 16:22:19 -8.096247 3.3274 BFGS: 9856 16:22:19 -7.533049 3.3451 BFGS: 9857 16:22:19 -7.867239 3.3333 BFGS: 9858 16:22:19 -7.761890 3.3452 BFGS: 9859 16:22:19 -8.096391 3.3274 BFGS: 9860 16:22:19 -7.532922 3.3450 BFGS: 9861 16:22:19 -7.867103 3.3332 BFGS: 9862 16:22:19 -7.762043 3.3452 BFGS: 9863 16:22:19 -8.096536 3.3273 BFGS: 9864 16:22:19 -7.532795 3.3449 BFGS: 9865 16:22:19 -7.866967 3.3331 BFGS: 9866 16:22:19 -7.762196 3.3451 BFGS: 9867 16:22:19 -8.096680 3.3272 BFGS: 9868 16:22:19 -7.532667 3.3448 BFGS: 9869 16:22:19 -7.866830 3.3330 BFGS: 9870 16:22:19 -7.762349 3.3450 BFGS: 9871 16:22:19 -8.096825 3.3271 BFGS: 9872 16:22:19 -7.532540 3.3448 BFGS: 9873 16:22:19 -7.866694 3.3330 BFGS: 9874 16:22:19 -7.762503 3.3449 BFGS: 9875 16:22:19 -8.096970 3.3270 BFGS: 9876 16:22:19 -7.532412 3.3447 BFGS: 9877 16:22:19 -7.866558 3.3329 BFGS: 9878 16:22:19 -7.762656 3.3448 BFGS: 9879 16:22:19 -8.097115 3.3270 BFGS: 9880 16:22:19 -7.532285 3.3446 BFGS: 9881 16:22:19 -7.866421 3.3328 BFGS: 9882 16:22:19 -7.762810 3.3448 BFGS: 9883 16:22:19 -8.097260 3.3269 BFGS: 9884 16:22:19 -7.532157 3.3445 BFGS: 9885 16:22:19 -7.866285 3.3327 BFGS: 9886 16:22:19 -7.762963 3.3447 BFGS: 9887 16:22:19 -8.097405 3.3268 BFGS: 9888 16:22:19 -7.532029 3.3445 BFGS: 9889 16:22:19 -7.866148 3.3327 BFGS: 9890 16:22:19 -7.763117 3.3446 BFGS: 9891 16:22:19 -8.097550 3.3267 BFGS: 9892 16:22:19 -7.531901 3.3444 BFGS: 9893 16:22:19 -7.866011 3.3326 BFGS: 9894 16:22:19 -7.763271 3.3445 BFGS: 9895 16:22:19 -8.097695 3.3266 BFGS: 9896 16:22:19 -7.531773 3.3443 BFGS: 9897 16:22:19 -7.865874 3.3325 BFGS: 9898 16:22:19 -7.763425 3.3444 BFGS: 9899 16:22:19 -8.097841 3.3265 BFGS: 9900 16:22:19 -7.531644 3.3442 BFGS: 9901 16:22:19 -7.865737 3.3324 BFGS: 9902 16:22:19 -7.763579 3.3444 BFGS: 9903 16:22:19 -8.097986 3.3265 BFGS: 9904 16:22:19 -7.531516 3.3441 BFGS: 9905 16:22:19 -7.865600 3.3324 BFGS: 9906 16:22:19 -7.763734 3.3443 BFGS: 9907 16:22:19 -8.098132 3.3264 BFGS: 9908 16:22:19 -7.531388 3.3441 BFGS: 9909 16:22:19 -7.865462 3.3323 BFGS: 9910 16:22:19 -7.763888 3.3442 BFGS: 9911 16:22:19 -8.098278 3.3263 BFGS: 9912 16:22:19 -7.531259 3.3440 BFGS: 9913 16:22:19 -7.865325 3.3322 BFGS: 9914 16:22:19 -7.764042 3.3441 BFGS: 9915 16:22:19 -8.098423 3.3262 BFGS: 9916 16:22:19 -7.531130 3.3439 BFGS: 9917 16:22:19 -7.865187 3.3322 BFGS: 9918 16:22:19 -7.764197 3.3440 BFGS: 9919 16:22:19 -8.098569 3.3261 BFGS: 9920 16:22:19 -7.531001 3.3438 BFGS: 9921 16:22:19 -7.865050 3.3321 BFGS: 9922 16:22:19 -7.764352 3.3440 BFGS: 9923 16:22:19 -8.098716 3.3261 BFGS: 9924 16:22:19 -7.530873 3.3438 BFGS: 9925 16:22:19 -7.864912 3.3320 BFGS: 9926 16:22:19 -7.764506 3.3439 BFGS: 9927 16:22:19 -8.098862 3.3260 BFGS: 9928 16:22:19 -7.530744 3.3437 BFGS: 9929 16:22:19 -7.864774 3.3319 BFGS: 9930 16:22:19 -7.764661 3.3438 BFGS: 9931 16:22:19 -8.099008 3.3259 BFGS: 9932 16:22:19 -7.530614 3.3436 BFGS: 9933 16:22:19 -7.864636 3.3319 BFGS: 9934 16:22:19 -7.764816 3.3437 BFGS: 9935 16:22:19 -8.099154 3.3258 BFGS: 9936 16:22:19 -7.530485 3.3435 BFGS: 9937 16:22:19 -7.864498 3.3318 BFGS: 9938 16:22:19 -7.764971 3.3436 BFGS: 9939 16:22:19 -8.099301 3.3257 BFGS: 9940 16:22:19 -7.530356 3.3435 BFGS: 9941 16:22:19 -7.864360 3.3317 BFGS: 9942 16:22:19 -7.765127 3.3435 BFGS: 9943 16:22:19 -8.099447 3.3257 BFGS: 9944 16:22:19 -7.530226 3.3434 BFGS: 9945 16:22:19 -7.864222 3.3316 BFGS: 9946 16:22:19 -7.765282 3.3435 BFGS: 9947 16:22:19 -8.099594 3.3256 BFGS: 9948 16:22:19 -7.530097 3.3433 BFGS: 9949 16:22:19 -7.864084 3.3316 BFGS: 9950 16:22:19 -7.765437 3.3434 BFGS: 9951 16:22:19 -8.099741 3.3255 BFGS: 9952 16:22:19 -7.529967 3.3432 BFGS: 9953 16:22:19 -7.863945 3.3315 BFGS: 9954 16:22:19 -7.765593 3.3433 BFGS: 9955 16:22:19 -8.099888 3.3254 BFGS: 9956 16:22:19 -7.529838 3.3431 BFGS: 9957 16:22:19 -7.863807 3.3314 BFGS: 9958 16:22:19 -7.765748 3.3432 BFGS: 9959 16:22:19 -8.100035 3.3253 BFGS: 9960 16:22:19 -7.529708 3.3431 BFGS: 9961 16:22:19 -7.863668 3.3313 BFGS: 9962 16:22:19 -7.765904 3.3431 BFGS: 9963 16:22:19 -8.100182 3.3252 BFGS: 9964 16:22:19 -7.529578 3.3430 BFGS: 9965 16:22:19 -7.863529 3.3313 BFGS: 9966 16:22:19 -7.766060 3.3431 BFGS: 9967 16:22:19 -8.100329 3.3252 BFGS: 9968 16:22:19 -7.529448 3.3429 BFGS: 9969 16:22:19 -7.863391 3.3312 BFGS: 9970 16:22:19 -7.766215 3.3430 BFGS: 9971 16:22:19 -8.100476 3.3251 BFGS: 9972 16:22:19 -7.529318 3.3428 BFGS: 9973 16:22:19 -7.863252 3.3311 BFGS: 9974 16:22:19 -7.766371 3.3429 BFGS: 9975 16:22:19 -8.100624 3.3250 BFGS: 9976 16:22:19 -7.529187 3.3428 BFGS: 9977 16:22:19 -7.863113 3.3311 BFGS: 9978 16:22:19 -7.766527 3.3428 BFGS: 9979 16:22:19 -8.100771 3.3249 BFGS: 9980 16:22:19 -7.529057 3.3427 BFGS: 9981 16:22:19 -7.862974 3.3310 BFGS: 9982 16:22:19 -7.766684 3.3427 BFGS: 9983 16:22:19 -8.100919 3.3248 BFGS: 9984 16:22:19 -7.528927 3.3426 BFGS: 9985 16:22:19 -7.862834 3.3309 BFGS: 9986 16:22:19 -7.766840 3.3427 BFGS: 9987 16:22:19 -8.101066 3.3248 BFGS: 9988 16:22:19 -7.528796 3.3425 BFGS: 9989 16:22:19 -7.862695 3.3308 BFGS: 9990 16:22:19 -7.766996 3.3426 BFGS: 9991 16:22:19 -8.101214 3.3247 BFGS: 9992 16:22:19 -7.528666 3.3425 BFGS: 9993 16:22:19 -7.862556 3.3308 BFGS: 9994 16:22:19 -7.767153 3.3425 BFGS: 9995 16:22:20 -8.101362 3.3246 BFGS: 9996 16:22:20 -7.528535 3.3424 BFGS: 9997 16:22:20 -7.862416 3.3307 BFGS: 9998 16:22:20 -7.767309 3.3424 BFGS: 9999 16:22:20 -8.101510 3.3245 BFGS: 10000 16:22:20 -7.528404 3.3423 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 1.4381677522925416 eV/Angstrom Maximum stress component: 0.0008260695004476668 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['O', 'O', 'O', 'O'] basis = [[1.55359924e-02 0.00000000e+00 1.12730122e-02] [9.84464008e-01 9.04536846e-32 9.88726988e-01] [5.15535992e-01 5.00000000e-01 1.12730122e-02] [4.84464008e-01 5.00000000e-01 9.88726988e-01]] cellpar = Cell([[8.965260388864058, -2.6348744562790588e-17, -0.9279900128282449], [1.8125223658047478e-17, 7.0178070972845, 2.023160889051612e-17], [-7.53811774875416, 3.698761848672303e-17, 6.2299248792318656]]) forces = [[-1.38435785e+00 -2.35919115e-19 -1.43816775e+00] [ 1.38435785e+00 2.35919115e-19 1.43816775e+00] [-1.38435785e+00 -2.35919115e-19 -1.43816775e+00] [ 1.38435785e+00 2.35919115e-19 1.43816775e+00]] stress = [ 8.26069500e-04 1.53393054e-38 1.96337858e-04 -1.70027393e-21 7.11942540e-04 -1.63133499e-21] energy per atom = -1.8821010322205554 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0 Parameter sets [1] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 1