element(s): ['C'] AFLOW prototype label: A_oC8_67_m Parameter names: ['a', 'b/a', 'c/a', 'y1', 'z1'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.4679', '1.7318773', '3.3343328', '0.58332715', '0.24954517'] model name: Sim_LAMMPS_Vashishta_VashishtaKaliaNakano_2007_SiC__SM_196548226654_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['C'] representative atom coordinates = [[0. 0.41667285 0.24954517]] spacegroup = 67 cell = [[2.4679, 0, 0], [0, 4.2741, 0], [0, 0, 8.2288]] ========================================= Step Time Energy fmax BFGS: 0 15:54:48 860.994569 273.284065 BFGS: 1 15:54:48 834.034526 261.545810 BFGS: 2 15:54:48 807.729060 250.371745 BFGS: 3 15:54:48 782.612868 241.760815 BFGS: 4 15:54:48 763.627709 248.979266 BFGS: 5 15:54:48 740.319114 237.943258 BFGS: 6 15:54:48 717.622255 228.177325 BFGS: 7 15:54:48 697.899402 219.859930 BFGS: 8 15:54:48 680.162284 212.458369 BFGS: 9 15:54:48 663.845434 205.700987 BFGS: 10 15:54:48 648.593490 199.428825 BFGS: 11 15:54:48 634.206195 193.548530 BFGS: 12 15:54:48 620.559929 187.980048 BFGS: 13 15:54:48 607.512324 182.650125 BFGS: 14 15:54:48 594.981276 177.502919 BFGS: 15 15:54:48 582.897815 172.483202 BFGS: 16 15:54:48 571.188555 167.532832 BFGS: 17 15:54:48 559.818685 162.605332 BFGS: 18 15:54:48 550.065313 158.257601 BFGS: 19 15:54:48 541.721468 154.386884 BFGS: 20 15:54:48 534.555279 150.906446 BFGS: 21 15:54:48 528.313815 147.730873 BFGS: 22 15:54:48 522.750938 144.781266 BFGS: 23 15:54:48 517.653166 141.992224 BFGS: 24 15:54:48 512.855317 139.316324 BFGS: 25 15:54:48 508.240863 136.718116 BFGS: 26 15:54:48 503.743558 134.184958 BFGS: 27 15:54:48 499.327618 132.145976 BFGS: 28 15:54:48 494.972633 131.360009 BFGS: 29 15:54:48 490.666263 130.533352 BFGS: 30 15:54:48 486.400693 129.661545 BFGS: 31 15:54:48 482.170901 128.743066 BFGS: 32 15:54:48 477.973681 127.778235 BFGS: 33 15:54:48 473.807052 126.768496 BFGS: 34 15:54:48 469.669875 125.715955 BFGS: 35 15:54:48 465.561601 124.623082 BFGS: 36 15:54:48 461.482101 123.492527 BFGS: 37 15:54:48 457.431546 122.327004 BFGS: 38 15:54:48 453.410323 121.129217 BFGS: 39 15:54:48 449.418974 119.901821 BFGS: 40 15:54:48 445.458090 118.652409 BFGS: 41 15:54:48 441.528548 117.385090 BFGS: 42 15:54:48 437.631045 116.106776 BFGS: 43 15:54:48 433.765777 114.807992 BFGS: 44 15:54:48 429.933699 113.491320 BFGS: 45 15:54:48 426.135390 112.172872 BFGS: 46 15:54:48 422.369801 110.861910 BFGS: 47 15:54:48 418.636754 109.540607 BFGS: 48 15:54:48 414.936845 108.209815 BFGS: 49 15:54:48 411.270940 106.870998 BFGS: 50 15:54:48 407.639902 105.525641 BFGS: 51 15:54:48 404.044660 104.175174 BFGS: 52 15:54:48 400.485433 102.819792 BFGS: 53 15:54:48 396.963298 101.461571 BFGS: 54 15:54:48 393.479075 100.102059 BFGS: 55 15:54:48 390.033385 98.743088 BFGS: 56 15:54:48 386.626546 97.389188 BFGS: 57 15:54:48 383.258543 96.045142 BFGS: 58 15:54:48 379.929440 94.704400 BFGS: 59 15:54:48 376.639767 93.367748 BFGS: 60 15:54:48 373.390006 92.036435 BFGS: 61 15:54:48 370.179999 90.710102 BFGS: 62 15:54:48 367.010343 89.390021 BFGS: 63 15:54:48 363.881423 88.077197 BFGS: 64 15:54:48 360.793424 86.772342 BFGS: 65 15:54:48 357.746465 85.476102 BFGS: 66 15:54:48 354.740469 84.198169 BFGS: 67 15:54:48 351.775905 82.937359 BFGS: 68 15:54:48 348.852634 81.687531 BFGS: 69 15:54:48 345.969925 80.451455 BFGS: 70 15:54:48 343.126765 79.229578 BFGS: 71 15:54:48 340.322624 78.018732 BFGS: 72 15:54:48 337.557636 76.819656 BFGS: 73 15:54:48 334.831662 75.632727 BFGS: 74 15:54:48 332.144493 74.458258 BFGS: 75 15:54:48 329.495879 73.296528 BFGS: 76 15:54:48 326.885531 72.147788 BFGS: 77 15:54:48 324.313126 71.583847 BFGS: 78 15:54:48 321.778305 71.208591 BFGS: 79 15:54:48 319.280678 70.851240 BFGS: 80 15:54:48 316.819825 70.511095 BFGS: 81 15:54:48 314.395296 70.187458 BFGS: 82 15:54:48 312.006618 69.879638 BFGS: 83 15:54:48 309.653288 69.586946 BFGS: 84 15:54:48 307.334783 69.308697 BFGS: 85 15:54:48 305.050559 69.044212 BFGS: 86 15:54:48 302.800050 68.792816 BFGS: 87 15:54:48 300.582562 68.553838 BFGS: 88 15:54:48 298.396984 68.326894 BFGS: 89 15:54:48 296.242821 68.111228 BFGS: 90 15:54:48 294.119538 67.906134 BFGS: 91 15:54:48 292.026547 67.710954 BFGS: 92 15:54:48 289.963160 67.525374 BFGS: 93 15:54:48 287.928538 67.348623 BFGS: 94 15:54:48 285.921976 67.179834 BFGS: 95 15:54:49 283.942552 67.018690 BFGS: 96 15:54:49 281.989592 66.864663 BFGS: 97 15:54:49 280.062487 66.717176 BFGS: 98 15:54:49 278.160638 66.575650 BFGS: 99 15:54:49 276.283450 66.439512 BFGS: 100 15:54:49 274.430324 66.308198 BFGS: 101 15:54:49 272.600661 66.181157 BFGS: 102 15:54:49 270.793864 66.057849 BFGS: 103 15:54:49 269.009337 65.937748 BFGS: 104 15:54:49 267.246488 65.820340 BFGS: 105 15:54:49 265.504730 65.705128 BFGS: 106 15:54:49 263.783386 65.593062 BFGS: 107 15:54:49 262.081622 65.483826 BFGS: 108 15:54:49 260.399056 65.375434 BFGS: 109 15:54:49 258.734986 65.267519 BFGS: 110 15:54:49 257.088815 65.159694 BFGS: 111 15:54:49 255.459995 65.051572 BFGS: 112 15:54:49 253.848002 64.942781 BFGS: 113 15:54:49 252.252332 64.832964 BFGS: 114 15:54:49 250.672495 64.721779 BFGS: 115 15:54:49 249.108015 64.608905 BFGS: 116 15:54:49 247.558433 64.494036 BFGS: 117 15:54:49 246.023303 64.376885 BFGS: 118 15:54:49 244.502152 64.257181 BFGS: 119 15:54:49 242.994427 64.134746 BFGS: 120 15:54:49 241.499905 64.009455 BFGS: 121 15:54:49 240.018108 63.881092 BFGS: 122 15:54:49 238.548631 63.749463 BFGS: 123 15:54:49 237.091107 63.614385 BFGS: 124 15:54:49 235.645196 63.475695 BFGS: 125 15:54:49 234.210577 63.333245 BFGS: 126 15:54:49 232.786948 63.186903 BFGS: 127 15:54:49 231.374023 63.036554 BFGS: 128 15:54:49 229.971529 62.882095 BFGS: 129 15:54:49 228.579209 62.723441 BFGS: 130 15:54:49 227.196819 62.560517 BFGS: 131 15:54:49 225.824131 62.393264 BFGS: 132 15:54:49 224.460926 62.221635 BFGS: 133 15:54:49 223.107003 62.045596 BFGS: 134 15:54:49 221.762168 61.865125 BFGS: 135 15:54:49 220.426243 61.680209 BFGS: 136 15:54:49 219.099059 61.490847 BFGS: 137 15:54:49 217.780459 61.297050 BFGS: 138 15:54:49 216.470297 61.098835 BFGS: 139 15:54:49 215.168431 60.897061 BFGS: 140 15:54:49 213.874698 60.691762 BFGS: 141 15:54:49 212.588946 60.482395 BFGS: 142 15:54:49 211.311067 60.268787 BFGS: 143 15:54:49 210.040962 60.050996 BFGS: 144 15:54:49 208.778545 59.829086 BFGS: 145 15:54:49 207.523672 59.604616 BFGS: 146 15:54:49 206.276080 59.377271 BFGS: 147 15:54:49 205.035676 59.146358 BFGS: 148 15:54:49 203.802402 58.911942 BFGS: 149 15:54:49 202.576206 58.674095 BFGS: 150 15:54:49 201.357043 58.432894 BFGS: 151 15:54:49 200.144870 58.188418 BFGS: 152 15:54:49 198.939651 57.940749 BFGS: 153 15:54:49 197.741350 57.690564 BFGS: 154 15:54:49 196.549877 57.440549 BFGS: 155 15:54:49 195.365375 57.187810 BFGS: 156 15:54:49 194.187748 56.932380 BFGS: 157 15:54:49 193.016931 56.674312 BFGS: 158 15:54:49 191.852876 56.413678 BFGS: 159 15:54:49 190.695550 56.150556 BFGS: 160 15:54:49 189.544925 55.885034 BFGS: 161 15:54:49 188.400981 55.617200 BFGS: 162 15:54:49 187.263702 55.347148 BFGS: 163 15:54:49 186.133074 55.074971 BFGS: 164 15:54:49 185.009044 54.802282 BFGS: 165 15:54:49 183.891354 54.528793 BFGS: 166 15:54:49 182.779988 54.253298 BFGS: 167 15:54:49 181.675012 53.975965 BFGS: 168 15:54:49 180.576469 53.696940 BFGS: 169 15:54:49 179.484388 53.416351 BFGS: 170 15:54:49 178.398786 53.134313 BFGS: 171 15:54:49 177.319673 52.850935 BFGS: 172 15:54:49 176.247056 52.566317 BFGS: 173 15:54:49 175.180939 52.280556 BFGS: 174 15:54:49 174.121320 51.993743 BFGS: 175 15:54:49 173.068139 51.705994 BFGS: 176 15:54:49 172.021388 51.417570 BFGS: 177 15:54:49 170.981062 51.128567 BFGS: 178 15:54:49 169.947150 50.839051 BFGS: 179 15:54:49 168.919644 50.549086 BFGS: 180 15:54:49 167.898535 50.258737 BFGS: 181 15:54:49 166.883817 49.968068 BFGS: 182 15:54:49 165.875481 49.677143 BFGS: 183 15:54:49 164.873521 49.386025 BFGS: 184 15:54:49 163.877930 49.094775 BFGS: 185 15:54:49 162.888699 48.803453 BFGS: 186 15:54:49 161.905822 48.512118 BFGS: 187 15:54:49 160.929288 48.220826 BFGS: 188 15:54:49 159.959090 47.929633 BFGS: 189 15:54:49 158.995218 47.638593 BFGS: 190 15:54:49 158.037662 47.347758 BFGS: 191 15:54:49 157.086410 47.057179 BFGS: 192 15:54:49 156.141452 46.766904 BFGS: 193 15:54:49 155.202677 46.477244 BFGS: 194 15:54:49 154.269897 46.187946 BFGS: 195 15:54:49 153.343153 45.899004 BFGS: 196 15:54:49 152.422476 45.610520 BFGS: 197 15:54:49 151.507888 45.322578 BFGS: 198 15:54:49 150.599400 45.035251 BFGS: 199 15:54:49 149.697015 44.748600 BFGS: 200 15:54:49 148.800732 44.462681 BFGS: 201 15:54:49 147.910543 44.177541 BFGS: 202 15:54:49 147.026439 43.893223 BFGS: 203 15:54:49 146.148408 43.609766 BFGS: 204 15:54:49 145.276433 43.327205 BFGS: 205 15:54:49 144.410499 43.045574 BFGS: 206 15:54:49 143.550587 42.764903 BFGS: 207 15:54:49 142.696679 42.485218 BFGS: 208 15:54:49 141.848736 42.206991 BFGS: 209 15:54:49 141.006763 41.930671 BFGS: 210 15:54:49 140.170947 41.655888 BFGS: 211 15:54:49 139.341194 41.383045 BFGS: 212 15:54:49 138.517275 41.122115 BFGS: 213 15:54:49 137.698821 40.863301 BFGS: 214 15:54:49 136.885803 40.605619 BFGS: 215 15:54:49 136.078211 40.349100 BFGS: 216 15:54:49 135.276031 40.093770 BFGS: 217 15:54:49 134.479245 39.839651 BFGS: 218 15:54:49 133.687836 39.586762 BFGS: 219 15:54:49 132.901781 39.335120 BFGS: 220 15:54:49 132.121059 39.084739 BFGS: 221 15:54:49 131.345647 38.835631 BFGS: 222 15:54:49 130.575521 38.587807 BFGS: 223 15:54:49 129.810656 38.341275 BFGS: 224 15:54:49 129.051027 38.096045 BFGS: 225 15:54:49 128.296607 37.852124 BFGS: 226 15:54:49 127.547369 37.609516 BFGS: 227 15:54:49 126.803250 37.368264 BFGS: 228 15:54:49 126.064384 37.128603 BFGS: 229 15:54:49 125.330714 36.890494 BFGS: 230 15:54:49 124.602187 36.653908 BFGS: 231 15:54:49 123.878755 36.418818 BFGS: 232 15:54:49 123.160373 36.185203 BFGS: 233 15:54:49 122.446999 35.953047 BFGS: 234 15:54:49 121.738594 35.722334 BFGS: 235 15:54:49 121.035121 35.493052 BFGS: 236 15:54:49 120.336542 35.265191 BFGS: 237 15:54:49 119.642824 35.039502 BFGS: 238 15:54:49 118.953872 34.819987 BFGS: 239 15:54:49 118.269507 34.601660 BFGS: 240 15:54:49 117.589718 34.384544 BFGS: 241 15:54:49 116.914490 34.168655 BFGS: 242 15:54:49 116.243807 33.954006 BFGS: 243 15:54:49 115.577650 33.740609 BFGS: 244 15:54:49 114.915999 33.528471 BFGS: 245 15:54:49 114.258831 33.317598 BFGS: 246 15:54:49 113.606124 33.107994 BFGS: 247 15:54:49 112.957855 32.899663 BFGS: 248 15:54:49 112.313999 32.692604 BFGS: 249 15:54:49 111.674531 32.486818 BFGS: 250 15:54:49 111.039425 32.282306 BFGS: 251 15:54:49 110.408655 32.079064 BFGS: 252 15:54:49 109.782197 31.877092 BFGS: 253 15:54:49 109.160022 31.676386 BFGS: 254 15:54:49 108.542104 31.476943 BFGS: 255 15:54:49 107.928417 31.278760 BFGS: 256 15:54:49 107.318935 31.081831 BFGS: 257 15:54:49 106.713629 30.886154 BFGS: 258 15:54:49 106.112474 30.691722 BFGS: 259 15:54:49 105.515443 30.498532 BFGS: 260 15:54:49 104.922508 30.306577 BFGS: 261 15:54:49 104.333643 30.115852 BFGS: 262 15:54:49 103.748822 29.926352 BFGS: 263 15:54:49 103.168017 29.738070 BFGS: 264 15:54:49 102.591203 29.551001 BFGS: 265 15:54:49 102.018352 29.365138 BFGS: 266 15:54:49 101.449438 29.180476 BFGS: 267 15:54:49 100.884436 28.997006 BFGS: 268 15:54:49 100.323318 28.814725 BFGS: 269 15:54:49 99.766059 28.633623 BFGS: 270 15:54:49 99.212633 28.453695 BFGS: 271 15:54:49 98.663015 28.274935 BFGS: 272 15:54:49 98.117178 28.097334 BFGS: 273 15:54:49 97.575097 27.920887 BFGS: 274 15:54:49 97.036748 27.745586 BFGS: 275 15:54:49 96.502103 27.571424 BFGS: 276 15:54:49 95.971139 27.398395 BFGS: 277 15:54:49 95.443831 27.226490 BFGS: 278 15:54:49 94.920154 27.055703 BFGS: 279 15:54:49 94.400083 26.886027 BFGS: 280 15:54:49 93.883593 26.717454 BFGS: 281 15:54:49 93.370661 26.549978 BFGS: 282 15:54:49 92.861263 26.383591 BFGS: 283 15:54:49 92.355374 26.218285 BFGS: 284 15:54:49 91.852970 26.054054 BFGS: 285 15:54:49 91.354028 25.890890 BFGS: 286 15:54:49 90.858524 25.728785 BFGS: 287 15:54:49 90.366436 25.567734 BFGS: 288 15:54:49 89.877739 25.407727 BFGS: 289 15:54:49 89.392411 25.248758 BFGS: 290 15:54:49 88.910429 25.090820 BFGS: 291 15:54:49 88.431770 24.933905 BFGS: 292 15:54:49 87.956412 24.778006 BFGS: 293 15:54:49 87.484332 24.623116 BFGS: 294 15:54:49 87.015508 24.469227 BFGS: 295 15:54:49 86.549918 24.316332 BFGS: 296 15:54:50 86.087540 24.164424 BFGS: 297 15:54:50 85.628353 24.013496 BFGS: 298 15:54:50 85.172334 23.863540 BFGS: 299 15:54:50 84.719463 23.714549 BFGS: 300 15:54:50 84.269718 23.566517 BFGS: 301 15:54:50 83.823079 23.419435 BFGS: 302 15:54:50 83.379523 23.273297 BFGS: 303 15:54:50 82.939032 23.128095 BFGS: 304 15:54:50 82.501583 22.983824 BFGS: 305 15:54:50 82.067156 22.840474 BFGS: 306 15:54:50 81.635732 22.698041 BFGS: 307 15:54:50 81.207290 22.556515 BFGS: 308 15:54:50 80.781810 22.415892 BFGS: 309 15:54:50 80.359272 22.276162 BFGS: 310 15:54:50 79.939657 22.137321 BFGS: 311 15:54:50 79.522946 21.999360 BFGS: 312 15:54:50 79.109118 21.862273 BFGS: 313 15:54:50 78.698156 21.726054 BFGS: 314 15:54:50 78.290039 21.590695 BFGS: 315 15:54:50 77.884749 21.456189 BFGS: 316 15:54:50 77.482267 21.322531 BFGS: 317 15:54:50 77.082576 21.189713 BFGS: 318 15:54:50 76.685655 21.057728 BFGS: 319 15:54:50 76.291488 20.926571 BFGS: 320 15:54:50 75.900034 20.798026 BFGS: 321 15:54:50 75.511130 20.672770 BFGS: 322 15:54:50 75.124774 20.548334 BFGS: 323 15:54:50 74.740948 20.424711 BFGS: 324 15:54:50 74.359616 20.306576 BFGS: 325 15:54:50 73.980683 20.189425 BFGS: 326 15:54:50 73.604132 20.072995 BFGS: 327 15:54:50 73.229942 19.957385 BFGS: 328 15:54:50 72.858069 19.842544 BFGS: 329 15:54:50 72.488489 19.728389 BFGS: 330 15:54:50 72.121191 19.614921 BFGS: 331 15:54:50 71.756165 19.502140 BFGS: 332 15:54:50 71.393399 19.390046 BFGS: 333 15:54:50 71.032882 19.278638 BFGS: 334 15:54:50 70.674603 19.167915 BFGS: 335 15:54:50 70.318550 19.057874 BFGS: 336 15:54:50 69.964709 18.948515 BFGS: 337 15:54:50 69.613071 18.839833 BFGS: 338 15:54:50 69.263621 18.731827 BFGS: 339 15:54:50 68.916348 18.624493 BFGS: 340 15:54:50 68.571239 18.517828 BFGS: 341 15:54:50 68.228282 18.411828 BFGS: 342 15:54:50 67.887464 18.306490 BFGS: 343 15:54:50 67.548772 18.201809 BFGS: 344 15:54:50 67.212194 18.097781 BFGS: 345 15:54:50 66.877717 17.994403 BFGS: 346 15:54:50 66.545328 17.891670 BFGS: 347 15:54:50 66.215016 17.789577 BFGS: 348 15:54:50 65.886766 17.688120 BFGS: 349 15:54:50 65.560568 17.587295 BFGS: 350 15:54:50 65.236408 17.487096 BFGS: 351 15:54:50 64.914269 17.387817 BFGS: 352 15:54:50 64.594135 17.289487 BFGS: 353 15:54:50 64.276000 17.191811 BFGS: 354 15:54:50 63.959850 17.094780 BFGS: 355 15:54:50 63.645671 16.998388 BFGS: 356 15:54:50 63.333448 16.902626 BFGS: 357 15:54:50 63.023170 16.807488 BFGS: 358 15:54:50 62.714821 16.712968 BFGS: 359 15:54:50 62.408391 16.619058 BFGS: 360 15:54:50 62.103864 16.525752 BFGS: 361 15:54:50 61.801230 16.433043 BFGS: 362 15:54:50 61.500475 16.340926 BFGS: 363 15:54:50 61.201586 16.249663 BFGS: 364 15:54:50 60.904542 16.159428 BFGS: 365 15:54:50 60.609323 16.070048 BFGS: 366 15:54:50 60.315914 15.981237 BFGS: 367 15:54:50 60.024301 15.892991 BFGS: 368 15:54:50 59.734474 15.805304 BFGS: 369 15:54:50 59.446422 15.718172 BFGS: 370 15:54:50 59.160133 15.631588 BFGS: 371 15:54:50 58.875596 15.545548 BFGS: 372 15:54:50 58.592800 15.460046 BFGS: 373 15:54:50 58.311734 15.375077 BFGS: 374 15:54:50 58.032387 15.290637 BFGS: 375 15:54:50 57.754749 15.206720 BFGS: 376 15:54:50 57.478809 15.123321 BFGS: 377 15:54:50 57.204556 15.040437 BFGS: 378 15:54:50 56.931980 14.958061 BFGS: 379 15:54:50 56.661071 14.876189 BFGS: 380 15:54:50 56.391819 14.794817 BFGS: 381 15:54:50 56.124213 14.713940 BFGS: 382 15:54:50 55.858244 14.633554 BFGS: 383 15:54:50 55.593901 14.553653 BFGS: 384 15:54:50 55.331176 14.474253 BFGS: 385 15:54:50 55.069930 14.395816 BFGS: 386 15:54:50 54.810159 14.317917 BFGS: 387 15:54:50 54.551852 14.240550 BFGS: 388 15:54:50 54.294998 14.163709 BFGS: 389 15:54:50 54.039588 14.087386 BFGS: 390 15:54:50 53.785609 14.011574 BFGS: 391 15:54:50 53.533053 13.936269 BFGS: 392 15:54:50 53.281910 13.861463 BFGS: 393 15:54:50 53.032168 13.787151 BFGS: 394 15:54:50 52.783820 13.713327 BFGS: 395 15:54:50 52.536855 13.639986 BFGS: 396 15:54:50 52.291263 13.567486 BFGS: 397 15:54:50 52.047003 13.499377 BFGS: 398 15:54:50 51.804039 13.431717 BFGS: 399 15:54:50 51.562360 13.364502 BFGS: 400 15:54:50 51.321959 13.297726 BFGS: 401 15:54:50 51.082827 13.231385 BFGS: 402 15:54:50 50.844955 13.165473 BFGS: 403 15:54:50 50.608335 13.099987 BFGS: 404 15:54:50 50.372958 13.034920 BFGS: 405 15:54:50 50.138817 12.970269 BFGS: 406 15:54:50 49.905904 12.906030 BFGS: 407 15:54:50 49.674210 12.842196 BFGS: 408 15:54:50 49.443728 12.778766 BFGS: 409 15:54:50 49.214450 12.715733 BFGS: 410 15:54:50 48.986368 12.653095 BFGS: 411 15:54:50 48.759475 12.590846 BFGS: 412 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24.081360 6.239926 BFGS: 569 15:54:51 23.975976 6.213663 BFGS: 570 15:54:51 23.871097 6.187512 BFGS: 571 15:54:51 23.766721 6.161474 BFGS: 572 15:54:51 23.662845 6.135547 BFGS: 573 15:54:51 23.559468 6.109732 BFGS: 574 15:54:51 23.456588 6.084027 BFGS: 575 15:54:51 23.354202 6.058432 BFGS: 576 15:54:51 23.252308 6.032946 BFGS: 577 15:54:51 23.150905 6.007568 BFGS: 578 15:54:51 23.049990 5.982298 BFGS: 579 15:54:51 22.949563 5.957136 BFGS: 580 15:54:51 22.849619 5.932079 BFGS: 581 15:54:51 22.750159 5.907129 BFGS: 582 15:54:51 22.651179 5.882283 BFGS: 583 15:54:51 22.552678 5.857542 BFGS: 584 15:54:51 22.454653 5.832905 BFGS: 585 15:54:51 22.357104 5.808371 BFGS: 586 15:54:51 22.260028 5.783940 BFGS: 587 15:54:51 22.163423 5.759610 BFGS: 588 15:54:51 22.067287 5.735383 BFGS: 589 15:54:51 21.971619 5.711255 BFGS: 590 15:54:51 21.876417 5.687229 BFGS: 591 15:54:51 21.781678 5.663301 BFGS: 592 15:54:51 21.687401 5.639473 BFGS: 593 15:54:51 21.593584 5.615743 BFGS: 594 15:54:51 21.500226 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10.395396 2.717423 BFGS: 779 15:54:52 10.358057 2.709622 BFGS: 780 15:54:52 10.320863 2.701841 BFGS: 781 15:54:52 10.283813 2.694082 BFGS: 782 15:54:52 10.246908 2.686344 BFGS: 783 15:54:52 10.210147 2.678628 BFGS: 784 15:54:52 10.173529 2.670932 BFGS: 785 15:54:52 10.137054 2.663258 BFGS: 786 15:54:52 10.100722 2.655605 BFGS: 787 15:54:52 10.064531 2.647973 BFGS: 788 15:54:52 10.028482 2.640363 BFGS: 789 15:54:52 9.992573 2.632773 BFGS: 790 15:54:52 9.956805 2.625205 BFGS: 791 15:54:52 9.921177 2.617658 BFGS: 792 15:54:52 9.885688 2.610132 BFGS: 793 15:54:52 9.850338 2.602626 BFGS: 794 15:54:52 9.815127 2.595142 BFGS: 795 15:54:52 9.780054 2.587679 BFGS: 796 15:54:52 9.745119 2.580237 BFGS: 797 15:54:52 9.710320 2.572816 BFGS: 798 15:54:52 9.675659 2.565416 BFGS: 799 15:54:52 9.641133 2.558036 BFGS: 800 15:54:52 9.606744 2.550678 BFGS: 801 15:54:52 9.572490 2.543340 BFGS: 802 15:54:52 9.538370 2.536023 BFGS: 803 15:54:52 9.504386 2.528726 BFGS: 804 15:54:52 9.470535 2.521451 BFGS: 805 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15:54:52 8.575453 2.325943 BFGS: 833 15:54:52 8.545311 2.319247 BFGS: 834 15:54:52 8.515291 2.312570 BFGS: 835 15:54:52 8.485392 2.305912 BFGS: 836 15:54:52 8.455615 2.299273 BFGS: 837 15:54:52 8.425959 2.292653 BFGS: 838 15:54:52 8.396423 2.286052 BFGS: 839 15:54:52 8.367007 2.279470 BFGS: 840 15:54:52 8.337711 2.272907 BFGS: 841 15:54:52 8.308534 2.266362 BFGS: 842 15:54:52 8.279477 2.259836 BFGS: 843 15:54:52 8.250538 2.253329 BFGS: 844 15:54:52 8.221717 2.246841 BFGS: 845 15:54:52 8.193014 2.240371 BFGS: 846 15:54:52 8.164429 2.233920 BFGS: 847 15:54:52 8.135961 2.227487 BFGS: 848 15:54:52 8.107610 2.221073 BFGS: 849 15:54:52 8.079375 2.214676 BFGS: 850 15:54:52 8.051257 2.208299 BFGS: 851 15:54:52 8.023254 2.201939 BFGS: 852 15:54:52 7.995367 2.195597 BFGS: 853 15:54:52 7.967594 2.189274 BFGS: 854 15:54:52 7.939937 2.182969 BFGS: 855 15:54:52 7.912394 2.176681 BFGS: 856 15:54:52 7.884965 2.170412 BFGS: 857 15:54:52 7.857649 2.164160 BFGS: 858 15:54:52 7.830447 2.157927 BFGS: 859 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15:54:52 7.112340 1.990254 BFGS: 887 15:54:52 7.088010 1.984483 BFGS: 888 15:54:52 7.063754 1.978724 BFGS: 889 15:54:52 7.039571 1.972978 BFGS: 890 15:54:52 7.015460 1.967267 BFGS: 891 15:54:52 6.991422 1.961599 BFGS: 892 15:54:52 6.967455 1.955951 BFGS: 893 15:54:52 6.943560 1.950316 BFGS: 894 15:54:52 6.919735 1.944695 BFGS: 895 15:54:52 6.895981 1.939087 BFGS: 896 15:54:52 6.872298 1.933493 BFGS: 897 15:54:52 6.848684 1.927911 BFGS: 898 15:54:52 6.825140 1.922344 BFGS: 899 15:54:52 6.801665 1.916789 BFGS: 900 15:54:52 6.778259 1.911248 BFGS: 901 15:54:52 6.754921 1.905721 BFGS: 902 15:54:52 6.731652 1.900207 BFGS: 903 15:54:52 6.708450 1.894706 BFGS: 904 15:54:52 6.685316 1.889219 BFGS: 905 15:54:52 6.662250 1.883746 BFGS: 906 15:54:52 6.639250 1.878285 BFGS: 907 15:54:52 6.616317 1.872839 BFGS: 908 15:54:52 6.593450 1.867405 BFGS: 909 15:54:52 6.570650 1.861986 BFGS: 910 15:54:52 6.547915 1.856579 BFGS: 911 15:54:52 6.525245 1.851186 BFGS: 912 15:54:52 6.502641 1.845807 BFGS: 913 15:54:52 6.480102 1.840441 BFGS: 914 15:54:52 6.457627 1.835088 BFGS: 915 15:54:52 6.435217 1.829749 BFGS: 916 15:54:52 6.412871 1.824424 BFGS: 917 15:54:52 6.390588 1.819112 BFGS: 918 15:54:52 6.368370 1.813813 BFGS: 919 15:54:52 6.346214 1.808528 BFGS: 920 15:54:52 6.324122 1.803256 BFGS: 921 15:54:52 6.302092 1.797998 BFGS: 922 15:54:52 6.280125 1.792753 BFGS: 923 15:54:52 6.258221 1.787521 BFGS: 924 15:54:52 6.236378 1.782303 BFGS: 925 15:54:52 6.214597 1.777098 BFGS: 926 15:54:52 6.192878 1.771907 BFGS: 927 15:54:52 6.171221 1.766729 BFGS: 928 15:54:52 6.149624 1.761565 BFGS: 929 15:54:52 6.128089 1.756413 BFGS: 930 15:54:52 6.106614 1.751275 BFGS: 931 15:54:52 6.085199 1.746151 BFGS: 932 15:54:52 6.063845 1.741040 BFGS: 933 15:54:52 6.042551 1.735942 BFGS: 934 15:54:52 6.021317 1.730857 BFGS: 935 15:54:52 6.000143 1.725786 BFGS: 936 15:54:52 5.979028 1.720728 BFGS: 937 15:54:52 5.957972 1.715683 BFGS: 938 15:54:52 5.936975 1.710651 BFGS: 939 15:54:52 5.916038 1.705633 BFGS: 940 15:54:52 5.895158 1.700628 BFGS: 941 15:54:52 5.874338 1.695636 BFGS: 942 15:54:52 5.853575 1.690657 BFGS: 943 15:54:52 5.832871 1.685692 BFGS: 944 15:54:52 5.812224 1.680739 BFGS: 945 15:54:52 5.791636 1.675800 BFGS: 946 15:54:52 5.771104 1.670874 BFGS: 947 15:54:53 5.750631 1.665961 BFGS: 948 15:54:53 5.730214 1.661061 BFGS: 949 15:54:53 5.709854 1.656174 BFGS: 950 15:54:53 5.689551 1.651300 BFGS: 951 15:54:53 5.669305 1.646439 BFGS: 952 15:54:53 5.649115 1.641591 BFGS: 953 15:54:53 5.628982 1.636756 BFGS: 954 15:54:53 5.608905 1.631934 BFGS: 955 15:54:53 5.588883 1.627125 BFGS: 956 15:54:53 5.568918 1.622329 BFGS: 957 15:54:53 5.549008 1.617546 BFGS: 958 15:54:53 5.529154 1.612776 BFGS: 959 15:54:53 5.509354 1.608018 BFGS: 960 15:54:53 5.489611 1.603274 BFGS: 961 15:54:53 5.469922 1.598542 BFGS: 962 15:54:53 5.450288 1.593823 BFGS: 963 15:54:53 5.430708 1.589117 BFGS: 964 15:54:53 5.411184 1.584424 BFGS: 965 15:54:53 5.391714 1.579743 BFGS: 966 15:54:53 5.372297 1.575075 BFGS: 967 15:54:53 5.352936 1.570420 BFGS: 968 15:54:53 5.333628 1.565777 BFGS: 969 15:54:53 5.314374 1.561147 BFGS: 970 15:54:53 5.295173 1.556530 BFGS: 971 15:54:53 5.276026 1.551925 BFGS: 972 15:54:53 5.256933 1.547333 BFGS: 973 15:54:53 5.237893 1.542753 BFGS: 974 15:54:53 5.218905 1.538186 BFGS: 975 15:54:53 5.199971 1.533631 BFGS: 976 15:54:53 5.181090 1.529089 BFGS: 977 15:54:53 5.162262 1.524559 BFGS: 978 15:54:53 5.143486 1.520042 BFGS: 979 15:54:53 5.124762 1.515537 BFGS: 980 15:54:53 5.106091 1.511045 BFGS: 981 15:54:53 5.087472 1.506564 BFGS: 982 15:54:53 5.068905 1.502097 BFGS: 983 15:54:53 5.050391 1.497641 BFGS: 984 15:54:53 5.031927 1.493198 BFGS: 985 15:54:53 5.013516 1.488767 BFGS: 986 15:54:53 4.995156 1.484348 BFGS: 987 15:54:53 4.976848 1.479941 BFGS: 988 15:54:53 4.958591 1.475547 BFGS: 989 15:54:53 4.940385 1.471165 BFGS: 990 15:54:53 4.922230 1.466795 BFGS: 991 15:54:53 4.904126 1.462436 BFGS: 992 15:54:53 4.886073 1.458090 BFGS: 993 15:54:53 4.868071 1.453757 BFGS: 994 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1.341191 BFGS: 1021 15:54:53 4.384144 1.337183 BFGS: 1022 15:54:53 4.367564 1.333186 BFGS: 1023 15:54:53 4.351032 1.329200 BFGS: 1024 15:54:53 4.334548 1.325226 BFGS: 1025 15:54:53 4.318110 1.321263 BFGS: 1026 15:54:53 4.301720 1.317311 BFGS: 1027 15:54:53 4.285377 1.313370 BFGS: 1028 15:54:53 4.269081 1.309440 BFGS: 1029 15:54:53 4.252832 1.305521 BFGS: 1030 15:54:53 4.236629 1.301613 BFGS: 1031 15:54:53 4.220474 1.297716 BFGS: 1032 15:54:53 4.204365 1.293830 BFGS: 1033 15:54:53 4.188302 1.289955 BFGS: 1034 15:54:53 4.172286 1.286090 BFGS: 1035 15:54:53 4.156316 1.282237 BFGS: 1036 15:54:53 4.140392 1.278395 BFGS: 1037 15:54:53 4.124515 1.274563 BFGS: 1038 15:54:53 4.108684 1.270742 BFGS: 1039 15:54:53 4.092898 1.266932 BFGS: 1040 15:54:53 4.077158 1.263132 BFGS: 1041 15:54:53 4.061465 1.259344 BFGS: 1042 15:54:53 4.045816 1.255565 BFGS: 1043 15:54:53 4.030214 1.251798 BFGS: 1044 15:54:53 4.014657 1.248041 BFGS: 1045 15:54:53 3.999145 1.244295 BFGS: 1046 15:54:53 3.983678 1.240559 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3.226392 1.056879 BFGS: 1100 15:54:53 3.213237 1.053669 BFGS: 1101 15:54:53 3.200123 1.050468 BFGS: 1102 15:54:53 3.187050 1.047277 BFGS: 1103 15:54:53 3.174016 1.044093 BFGS: 1104 15:54:53 3.161023 1.040919 BFGS: 1105 15:54:53 3.148070 1.037754 BFGS: 1106 15:54:53 3.135156 1.034597 BFGS: 1107 15:54:53 3.122283 1.031450 BFGS: 1108 15:54:53 3.109449 1.028311 BFGS: 1109 15:54:53 3.096655 1.025181 BFGS: 1110 15:54:53 3.083901 1.022059 BFGS: 1111 15:54:53 3.071186 1.018946 BFGS: 1112 15:54:53 3.058511 1.015842 BFGS: 1113 15:54:53 3.045874 1.012746 BFGS: 1114 15:54:53 3.033278 1.009659 BFGS: 1115 15:54:53 3.020720 1.006581 BFGS: 1116 15:54:53 3.008201 1.003511 BFGS: 1117 15:54:53 2.995722 1.000449 BFGS: 1118 15:54:53 2.983281 0.997396 BFGS: 1119 15:54:53 2.970879 0.994352 BFGS: 1120 15:54:53 2.958516 0.991316 BFGS: 1121 15:54:53 2.946191 0.988288 BFGS: 1122 15:54:53 2.933905 0.985269 BFGS: 1123 15:54:53 2.921658 0.982258 BFGS: 1124 15:54:53 2.909449 0.979255 BFGS: 1125 15:54:53 2.897278 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0.329755 BFGS: 1441 15:54:55 0.543696 0.328363 BFGS: 1442 15:54:55 0.539830 0.326974 BFGS: 1443 15:54:55 0.535982 0.325589 BFGS: 1444 15:54:55 0.532151 0.324206 BFGS: 1445 15:54:55 0.528336 0.322826 BFGS: 1446 15:54:55 0.524539 0.321449 BFGS: 1447 15:54:55 0.520758 0.320074 BFGS: 1448 15:54:55 0.516993 0.318703 BFGS: 1449 15:54:55 0.513246 0.317334 BFGS: 1450 15:54:55 0.509515 0.315968 BFGS: 1451 15:54:55 0.505801 0.314605 BFGS: 1452 15:54:55 0.502103 0.313245 BFGS: 1453 15:54:55 0.498422 0.311887 BFGS: 1454 15:54:55 0.494757 0.310533 BFGS: 1455 15:54:55 0.491109 0.309181 BFGS: 1456 15:54:55 0.487478 0.307832 BFGS: 1457 15:54:55 0.483862 0.306486 BFGS: 1458 15:54:55 0.480263 0.305142 BFGS: 1459 15:54:55 0.476681 0.303801 BFGS: 1460 15:54:55 0.473114 0.302463 BFGS: 1461 15:54:55 0.469564 0.301128 BFGS: 1462 15:54:55 0.466030 0.299795 BFGS: 1463 15:54:55 0.462512 0.298465 BFGS: 1464 15:54:55 0.459010 0.297138 BFGS: 1465 15:54:55 0.455525 0.295814 BFGS: 1466 15:54:55 0.452055 0.294492 BFGS: 1467 15:54:55 0.448602 0.293173 BFGS: 1468 15:54:55 0.445164 0.291856 BFGS: 1469 15:54:55 0.441742 0.290543 BFGS: 1470 15:54:55 0.438337 0.289232 BFGS: 1471 15:54:55 0.434947 0.287923 BFGS: 1472 15:54:55 0.431573 0.286617 BFGS: 1473 15:54:55 0.428214 0.285314 BFGS: 1474 15:54:55 0.424872 0.284014 BFGS: 1475 15:54:55 0.421545 0.282716 BFGS: 1476 15:54:55 0.418234 0.281421 BFGS: 1477 15:54:55 0.414938 0.280128 BFGS: 1478 15:54:55 0.411658 0.278838 BFGS: 1479 15:54:55 0.408394 0.277551 BFGS: 1480 15:54:55 0.405145 0.276266 BFGS: 1481 15:54:55 0.401912 0.274983 BFGS: 1482 15:54:55 0.398694 0.273704 BFGS: 1483 15:54:55 0.395492 0.272427 BFGS: 1484 15:54:55 0.392305 0.271152 BFGS: 1485 15:54:55 0.389133 0.269880 BFGS: 1486 15:54:55 0.385977 0.268611 BFGS: 1487 15:54:55 0.382836 0.267344 BFGS: 1488 15:54:55 0.379710 0.266079 BFGS: 1489 15:54:55 0.376600 0.264817 BFGS: 1490 15:54:55 0.373504 0.263558 BFGS: 1491 15:54:55 0.370424 0.262301 BFGS: 1492 15:54:55 0.367359 0.261047 BFGS: 1493 15:54:55 0.364309 0.259795 BFGS: 1494 15:54:55 0.361274 0.258546 BFGS: 1495 15:54:55 0.358255 0.257299 BFGS: 1496 15:54:55 0.355250 0.256054 BFGS: 1497 15:54:55 0.352260 0.254813 BFGS: 1498 15:54:55 0.349285 0.253573 BFGS: 1499 15:54:55 0.346325 0.252336 BFGS: 1500 15:54:55 0.343379 0.251101 BFGS: 1501 15:54:55 0.340449 0.249869 BFGS: 1502 15:54:55 0.337533 0.248640 BFGS: 1503 15:54:55 0.334632 0.247412 BFGS: 1504 15:54:55 0.331746 0.246188 BFGS: 1505 15:54:55 0.328875 0.244965 BFGS: 1506 15:54:55 0.326018 0.243745 BFGS: 1507 15:54:55 0.323176 0.242527 BFGS: 1508 15:54:55 0.320348 0.241312 BFGS: 1509 15:54:55 0.317535 0.240099 BFGS: 1510 15:54:55 0.314736 0.238889 BFGS: 1511 15:54:55 0.311952 0.237681 BFGS: 1512 15:54:55 0.309183 0.236475 BFGS: 1513 15:54:55 0.306428 0.235272 BFGS: 1514 15:54:55 0.303687 0.234071 BFGS: 1515 15:54:55 0.300960 0.232872 BFGS: 1516 15:54:55 0.298248 0.231676 BFGS: 1517 15:54:55 0.295551 0.230482 BFGS: 1518 15:54:55 0.292867 0.229290 BFGS: 1519 15:54:55 0.290198 0.228101 BFGS: 1520 15:54:55 0.287543 0.226914 BFGS: 1521 15:54:55 0.284902 0.225729 BFGS: 1522 15:54:55 0.282275 0.224547 BFGS: 1523 15:54:55 0.279663 0.223367 BFGS: 1524 15:54:55 0.277064 0.222189 BFGS: 1525 15:54:55 0.274480 0.221013 BFGS: 1526 15:54:55 0.271910 0.219840 BFGS: 1527 15:54:55 0.269353 0.218669 BFGS: 1528 15:54:55 0.266811 0.217500 BFGS: 1529 15:54:55 0.264282 0.216334 BFGS: 1530 15:54:55 0.261768 0.215170 BFGS: 1531 15:54:55 0.259267 0.214008 BFGS: 1532 15:54:55 0.256780 0.212848 BFGS: 1533 15:54:55 0.254307 0.211691 BFGS: 1534 15:54:55 0.251848 0.210535 BFGS: 1535 15:54:55 0.249402 0.209382 BFGS: 1536 15:54:55 0.246971 0.208232 BFGS: 1537 15:54:55 0.244552 0.207083 BFGS: 1538 15:54:55 0.242148 0.205937 BFGS: 1539 15:54:55 0.239757 0.204792 BFGS: 1540 15:54:55 0.237380 0.203650 BFGS: 1541 15:54:55 0.235016 0.202511 BFGS: 1542 15:54:55 0.232666 0.201373 BFGS: 1543 15:54:55 0.230330 0.200238 BFGS: 1544 15:54:55 0.228007 0.199104 BFGS: 1545 15:54:55 0.225697 0.197973 BFGS: 1546 15:54:55 0.223401 0.196844 BFGS: 1547 15:54:55 0.221118 0.195717 BFGS: 1548 15:54:55 0.218849 0.194593 BFGS: 1549 15:54:55 0.216593 0.193470 BFGS: 1550 15:54:55 0.214350 0.192350 BFGS: 1551 15:54:55 0.212121 0.191232 BFGS: 1552 15:54:55 0.209905 0.190116 BFGS: 1553 15:54:55 0.207702 0.189002 BFGS: 1554 15:54:55 0.205512 0.187890 BFGS: 1555 15:54:55 0.203336 0.186780 BFGS: 1556 15:54:55 0.201172 0.185672 BFGS: 1557 15:54:55 0.199022 0.184567 BFGS: 1558 15:54:55 0.196885 0.183463 BFGS: 1559 15:54:55 0.194761 0.182362 BFGS: 1560 15:54:55 0.192650 0.181262 BFGS: 1561 15:54:55 0.190552 0.180165 BFGS: 1562 15:54:55 0.188467 0.179070 BFGS: 1563 15:54:55 0.186395 0.177977 BFGS: 1564 15:54:55 0.184336 0.176886 BFGS: 1565 15:54:55 0.182289 0.175797 BFGS: 1566 15:54:55 0.180256 0.174710 BFGS: 1567 15:54:55 0.178235 0.173625 BFGS: 1568 15:54:55 0.176228 0.172542 BFGS: 1569 15:54:55 0.174233 0.171461 BFGS: 1570 15:54:55 0.172251 0.170382 BFGS: 1571 15:54:55 0.170281 0.169305 BFGS: 1572 15:54:55 0.168325 0.168230 BFGS: 1573 15:54:55 0.166381 0.167158 BFGS: 1574 15:54:55 0.164449 0.166087 BFGS: 1575 15:54:55 0.162531 0.165018 BFGS: 1576 15:54:55 0.160625 0.163951 BFGS: 1577 15:54:55 0.158731 0.162886 BFGS: 1578 15:54:55 0.156850 0.161824 BFGS: 1579 15:54:55 0.154982 0.160763 BFGS: 1580 15:54:55 0.153126 0.159704 BFGS: 1581 15:54:55 0.151283 0.158647 BFGS: 1582 15:54:55 0.149452 0.157592 BFGS: 1583 15:54:55 0.147633 0.156539 BFGS: 1584 15:54:55 0.145827 0.155488 BFGS: 1585 15:54:55 0.144033 0.154439 BFGS: 1586 15:54:55 0.142252 0.153392 BFGS: 1587 15:54:55 0.140483 0.152346 BFGS: 1588 15:54:55 0.138726 0.151303 BFGS: 1589 15:54:55 0.136981 0.150262 BFGS: 1590 15:54:55 0.135249 0.149222 BFGS: 1591 15:54:55 0.133529 0.148185 BFGS: 1592 15:54:55 0.131821 0.147149 BFGS: 1593 15:54:55 0.130126 0.146115 BFGS: 1594 15:54:55 0.128442 0.145084 BFGS: 1595 15:54:55 0.126771 0.144054 BFGS: 1596 15:54:55 0.125112 0.143026 BFGS: 1597 15:54:55 0.123464 0.141999 BFGS: 1598 15:54:55 0.121829 0.140975 BFGS: 1599 15:54:55 0.120206 0.139953 BFGS: 1600 15:54:56 0.118595 0.138932 BFGS: 1601 15:54:56 0.116996 0.137914 BFGS: 1602 15:54:56 0.115409 0.136897 BFGS: 1603 15:54:56 0.113833 0.135882 BFGS: 1604 15:54:56 0.112270 0.134869 BFGS: 1605 15:54:56 0.110719 0.133858 BFGS: 1606 15:54:56 0.109179 0.132848 BFGS: 1607 15:54:56 0.107651 0.131841 BFGS: 1608 15:54:56 0.106135 0.130835 BFGS: 1609 15:54:56 0.104631 0.129831 BFGS: 1610 15:54:56 0.103139 0.128829 BFGS: 1611 15:54:56 0.101658 0.127829 BFGS: 1612 15:54:56 0.100189 0.126830 BFGS: 1613 15:54:56 0.098732 0.125834 BFGS: 1614 15:54:56 0.097286 0.124839 BFGS: 1615 15:54:56 0.095852 0.123846 BFGS: 1616 15:54:56 0.094430 0.122854 BFGS: 1617 15:54:56 0.093019 0.121865 BFGS: 1618 15:54:56 0.091620 0.120877 BFGS: 1619 15:54:56 0.090232 0.119891 BFGS: 1620 15:54:56 0.088856 0.118907 BFGS: 1621 15:54:56 0.087491 0.117925 BFGS: 1622 15:54:56 0.086138 0.116944 BFGS: 1623 15:54:56 0.084796 0.115966 BFGS: 1624 15:54:56 0.083466 0.114988 BFGS: 1625 15:54:56 0.082147 0.114013 BFGS: 1626 15:54:56 0.080840 0.113040 BFGS: 1627 15:54:56 0.079544 0.112068 BFGS: 1628 15:54:56 0.078259 0.111098 BFGS: 1629 15:54:56 0.076985 0.110129 BFGS: 1630 15:54:56 0.075723 0.109163 BFGS: 1631 15:54:56 0.074472 0.108198 BFGS: 1632 15:54:56 0.073233 0.107235 BFGS: 1633 15:54:56 0.072004 0.106273 BFGS: 1634 15:54:56 0.070787 0.105313 BFGS: 1635 15:54:56 0.069581 0.104355 BFGS: 1636 15:54:56 0.068386 0.103399 BFGS: 1637 15:54:56 0.067203 0.102444 BFGS: 1638 15:54:56 0.066030 0.101491 BFGS: 1639 15:54:56 0.064869 0.100540 BFGS: 1640 15:54:56 0.063718 0.099591 BFGS: 1641 15:54:56 0.062579 0.098643 BFGS: 1642 15:54:56 0.061451 0.097697 BFGS: 1643 15:54:56 0.060333 0.096752 BFGS: 1644 15:54:56 0.059227 0.095809 BFGS: 1645 15:54:56 0.058132 0.094868 BFGS: 1646 15:54:56 0.057047 0.093928 BFGS: 1647 15:54:56 0.055974 0.092990 BFGS: 1648 15:54:56 0.054911 0.092054 BFGS: 1649 15:54:56 0.053859 0.091119 BFGS: 1650 15:54:56 0.052818 0.090186 BFGS: 1651 15:54:56 0.051788 0.089255 BFGS: 1652 15:54:56 0.050769 0.088325 BFGS: 1653 15:54:56 0.049761 0.087397 BFGS: 1654 15:54:56 0.048763 0.086471 BFGS: 1655 15:54:56 0.047776 0.085546 BFGS: 1656 15:54:56 0.046800 0.084623 BFGS: 1657 15:54:56 0.045835 0.084043 BFGS: 1658 15:54:56 0.044880 0.083492 BFGS: 1659 15:54:56 0.043936 0.082938 BFGS: 1660 15:54:56 0.043002 0.082382 BFGS: 1661 15:54:56 0.042079 0.081823 BFGS: 1662 15:54:56 0.041167 0.081261 BFGS: 1663 15:54:56 0.040266 0.080697 BFGS: 1664 15:54:56 0.039374 0.080130 BFGS: 1665 15:54:56 0.038494 0.079561 BFGS: 1666 15:54:56 0.037624 0.078989 BFGS: 1667 15:54:56 0.036764 0.078414 BFGS: 1668 15:54:56 0.035915 0.077837 BFGS: 1669 15:54:56 0.035077 0.077256 BFGS: 1670 15:54:56 0.034249 0.076673 BFGS: 1671 15:54:56 0.033431 0.076088 BFGS: 1672 15:54:56 0.032624 0.075499 BFGS: 1673 15:54:56 0.031827 0.074908 BFGS: 1674 15:54:56 0.031040 0.074314 BFGS: 1675 15:54:56 0.030264 0.073717 BFGS: 1676 15:54:56 0.029498 0.073117 BFGS: 1677 15:54:56 0.028743 0.072514 BFGS: 1678 15:54:56 0.027997 0.071909 BFGS: 1679 15:54:56 0.027262 0.071300 BFGS: 1680 15:54:56 0.026538 0.070688 BFGS: 1681 15:54:56 0.025823 0.070074 BFGS: 1682 15:54:56 0.025119 0.069456 BFGS: 1683 15:54:56 0.024424 0.068835 BFGS: 1684 15:54:56 0.023740 0.068211 BFGS: 1685 15:54:56 0.023067 0.067584 BFGS: 1686 15:54:56 0.022403 0.066954 BFGS: 1687 15:54:56 0.021749 0.066320 BFGS: 1688 15:54:56 0.021106 0.065683 BFGS: 1689 15:54:56 0.020472 0.065043 BFGS: 1690 15:54:56 0.019849 0.064400 BFGS: 1691 15:54:56 0.019235 0.063753 BFGS: 1692 15:54:56 0.018632 0.063102 BFGS: 1693 15:54:56 0.018039 0.062449 BFGS: 1694 15:54:56 0.017455 0.061791 BFGS: 1695 15:54:56 0.016882 0.061130 BFGS: 1696 15:54:56 0.016318 0.060466 BFGS: 1697 15:54:56 0.015765 0.059798 BFGS: 1698 15:54:56 0.015221 0.059126 BFGS: 1699 15:54:56 0.014687 0.058450 BFGS: 1700 15:54:56 0.014163 0.057770 BFGS: 1701 15:54:56 0.013649 0.057087 BFGS: 1702 15:54:56 0.013145 0.056400 BFGS: 1703 15:54:56 0.012650 0.055708 BFGS: 1704 15:54:56 0.012165 0.055012 BFGS: 1705 15:54:56 0.011690 0.054313 BFGS: 1706 15:54:56 0.011225 0.053609 BFGS: 1707 15:54:56 0.010770 0.052900 BFGS: 1708 15:54:56 0.010324 0.052188 BFGS: 1709 15:54:56 0.009888 0.051471 BFGS: 1710 15:54:56 0.009462 0.050749 BFGS: 1711 15:54:56 0.009045 0.050022 BFGS: 1712 15:54:56 0.008638 0.049291 BFGS: 1713 15:54:56 0.008240 0.048555 BFGS: 1714 15:54:56 0.007853 0.047814 BFGS: 1715 15:54:56 0.007474 0.047068 BFGS: 1716 15:54:56 0.007106 0.046316 BFGS: 1717 15:54:56 0.006746 0.045560 BFGS: 1718 15:54:56 0.006397 0.044798 BFGS: 1719 15:54:56 0.006057 0.044030 BFGS: 1720 15:54:56 0.005726 0.043257 BFGS: 1721 15:54:56 0.005405 0.042477 BFGS: 1722 15:54:56 0.005093 0.041692 BFGS: 1723 15:54:56 0.004791 0.040900 BFGS: 1724 15:54:56 0.004498 0.040102 BFGS: 1725 15:54:56 0.004215 0.039298 BFGS: 1726 15:54:56 0.003941 0.038486 BFGS: 1727 15:54:56 0.003677 0.037668 BFGS: 1728 15:54:56 0.003421 0.036842 BFGS: 1729 15:54:56 0.003176 0.036008 BFGS: 1730 15:54:56 0.002939 0.035167 BFGS: 1731 15:54:56 0.002712 0.034318 BFGS: 1732 15:54:56 0.002494 0.033460 BFGS: 1733 15:54:56 0.002285 0.032594 BFGS: 1734 15:54:56 0.002086 0.031718 BFGS: 1735 15:54:56 0.001896 0.030833 BFGS: 1736 15:54:56 0.001715 0.029938 BFGS: 1737 15:54:56 0.001543 0.029032 BFGS: 1738 15:54:56 0.001381 0.028115 BFGS: 1739 15:54:56 0.001227 0.027186 BFGS: 1740 15:54:56 0.001083 0.026245 BFGS: 1741 15:54:56 0.000948 0.025290 BFGS: 1742 15:54:56 0.000822 0.024321 BFGS: 1743 15:54:56 0.000706 0.023337 BFGS: 1744 15:54:56 0.000598 0.022336 BFGS: 1745 15:54:56 0.000499 0.021318 BFGS: 1746 15:54:56 0.000410 0.020280 BFGS: 1747 15:54:56 0.000329 0.019219 BFGS: 1748 15:54:56 0.000258 0.018135 BFGS: 1749 15:54:56 0.000196 0.017023 BFGS: 1750 15:54:56 0.000142 0.015879 BFGS: 1751 15:54:56 0.000098 0.014697 BFGS: 1752 15:54:56 0.000062 0.013468 BFGS: 1753 15:54:56 0.000036 0.012179 BFGS: 1754 15:54:56 0.000018 0.010805 BFGS: 1755 15:54:56 0.000009 0.009285 BFGS: 1756 15:54:56 0.000008 0.008390 BFGS: 1757 15:54:56 0.000004 0.006219 BFGS: 1758 15:54:56 0.000002 0.004052 BFGS: 1759 15:54:56 0.000000 0.001887 BFGS: 1760 15:54:56 0.000000 0.000011 BFGS: 1761 15:54:56 0.000000 0.000000 BFGS: 1762 15:54:56 0.000000 0.000000 Minimization converged after 1762 steps. Maximum force component: 4.79437208556727e-14 eV/Angstrom Maximum stress component: 2.1642772090336701e-16 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[5.35561956e-32 4.37888204e-01 2.49631816e-01] [0.00000000e+00 6.21117963e-02 2.49631816e-01] [2.14224783e-31 9.37888204e-01 7.50368184e-01] [0.00000000e+00 5.62111796e-01 7.50368184e-01] [5.00000000e-01 9.37888204e-01 2.49631816e-01] [5.00000000e-01 5.62111796e-01 2.49631816e-01] [5.00000000e-01 4.37888204e-01 7.50368184e-01] [5.00000000e-01 6.21117963e-02 7.50368184e-01]] cellpar = Cell([[7.364795946602292, -9.92767791347153e-16, 0.0], [-6.604591844098664e-15, 51.206132669668236, 0.0], [0.0, 0.0, 14.94590353478842]]) forces = [[ 6.18664120e-30 -4.79437209e-14 0.00000000e+00] [-6.18664120e-30 4.79437209e-14 0.00000000e+00] [ 6.18380438e-30 -4.79437209e-14 0.00000000e+00] [-6.18380438e-30 4.79437209e-14 0.00000000e+00] [ 6.18664120e-30 -4.79437209e-14 0.00000000e+00] [-6.18664120e-30 4.79437209e-14 0.00000000e+00] [ 6.18380438e-30 -4.79437209e-14 0.00000000e+00] [-6.18380438e-30 4.79437209e-14 0.00000000e+00]] stress = [-7.25307566e-17 -2.16427721e-16 -4.97228185e-48 0.00000000e+00 0.00000000e+00 -3.85293120e-32] energy per atom = 0.0 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Prototype label changed during relaxation: test template prototype is A_oC8_67_m, while relaxed is A_oF8_69_g. Skipping parameter set 0. No parameter sets in this group successfully added a property instance. Skipping this group.