element(s): ['C'] AFLOW prototype label: A_oC16_65_pq Parameter names: ['a', 'b/a', 'c/a', 'x1', 'y1', 'x2', 'y2'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['4.2547', '2.0610619', '0.59089948', '0.18519352', '0.16660457', '0.18446938', '0.41082374'] model name: Sim_LAMMPS_Vashishta_VashishtaKaliaNakano_2007_SiC__SM_196548226654_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C'] representative atom coordinates = [[0.18519352 0.16660457 0. ] [0.18446938 0.41082374 0.5 ]] spacegroup = 65 cell = [[4.2547, 0, 0], [0, 8.7692, 0], [0, 0, 2.5141]] ========================================= Step Time Energy fmax BFGS: 0 15:42:35 2068.219974 213.099906 BFGS: 1 15:42:35 2037.516632 207.689184 BFGS: 2 15:42:35 2009.833446 204.810503 BFGS: 3 15:42:35 1983.394306 201.612864 BFGS: 4 15:42:35 1954.494221 199.116221 BFGS: 5 15:42:35 1928.814992 190.457898 BFGS: 6 15:42:35 1901.300008 187.191904 BFGS: 7 15:42:35 1875.375001 183.882965 BFGS: 8 15:42:35 1851.418437 180.152508 BFGS: 9 15:42:35 1825.871464 176.908277 BFGS: 10 15:42:35 1800.489130 173.550164 BFGS: 11 15:42:35 1775.665392 170.299924 BFGS: 12 15:42:35 1751.372545 167.129656 BFGS: 13 15:42:35 1727.619826 164.037930 BFGS: 14 15:42:35 1704.401874 161.023411 BFGS: 15 15:42:35 1681.712282 158.084709 BFGS: 16 15:42:35 1659.544586 155.220740 BFGS: 17 15:42:35 1637.898070 152.461799 BFGS: 18 15:42:35 1616.746805 149.794626 BFGS: 19 15:42:35 1596.072542 147.196619 BFGS: 20 15:42:35 1575.876671 144.665239 BFGS: 21 15:42:35 1556.168305 142.200939 BFGS: 22 15:42:35 1536.936941 139.802704 BFGS: 23 15:42:35 1518.165543 137.468180 BFGS: 24 15:42:35 1499.884426 135.201698 BFGS: 25 15:42:35 1482.108068 133.003557 BFGS: 26 15:42:35 1464.825863 130.872613 BFGS: 27 15:42:35 1448.025043 128.809592 BFGS: 28 15:42:35 1431.687996 126.813897 BFGS: 29 15:42:35 1415.795995 124.882637 BFGS: 30 15:42:35 1400.341735 123.015881 BFGS: 31 15:42:35 1385.319764 121.206064 BFGS: 32 15:42:35 1370.719037 119.451378 BFGS: 33 15:42:35 1356.521788 117.747521 BFGS: 34 15:42:35 1342.717028 116.093399 BFGS: 35 15:42:35 1329.293188 114.489103 BFGS: 36 15:42:35 1316.235428 112.945534 BFGS: 37 15:42:35 1303.510014 111.446510 BFGS: 38 15:42:36 1291.095615 109.997950 BFGS: 39 15:42:36 1278.970312 108.587777 BFGS: 40 15:42:36 1267.122411 107.212998 BFGS: 41 15:42:36 1255.543532 105.876921 BFGS: 42 15:42:36 1244.251865 104.588432 BFGS: 43 15:42:36 1233.254047 103.336942 BFGS: 44 15:42:36 1222.544362 102.123946 BFGS: 45 15:42:36 1212.131341 100.946847 BFGS: 46 15:42:36 1202.009745 99.804995 BFGS: 47 15:42:36 1192.169510 98.697286 BFGS: 48 15:42:36 1182.599611 97.622538 BFGS: 49 15:42:36 1173.288695 96.579168 BFGS: 50 15:42:36 1164.226999 95.565811 BFGS: 51 15:42:36 1155.404933 94.581202 BFGS: 52 15:42:36 1146.813085 93.624133 BFGS: 53 15:42:36 1138.442231 92.693683 BFGS: 54 15:42:36 1130.282641 91.788631 BFGS: 55 15:42:36 1122.325017 90.908938 BFGS: 56 15:42:36 1114.557983 90.051969 BFGS: 57 15:42:36 1106.973330 89.216874 BFGS: 58 15:42:36 1099.563980 88.403424 BFGS: 59 15:42:36 1092.324876 87.611898 BFGS: 60 15:42:36 1085.252700 86.841341 BFGS: 61 15:42:36 1078.340446 86.089636 BFGS: 62 15:42:36 1071.581182 85.357115 BFGS: 63 15:42:36 1064.967573 84.642113 BFGS: 64 15:42:36 1058.493028 83.943462 BFGS: 65 15:42:36 1052.151329 83.260376 BFGS: 66 15:42:36 1045.936480 82.592128 BFGS: 67 15:42:36 1039.842652 81.958937 BFGS: 68 15:42:36 1033.867604 81.386660 BFGS: 69 15:42:36 1028.008863 80.825753 BFGS: 70 15:42:36 1022.260717 80.276536 BFGS: 71 15:42:36 1016.619383 79.738301 BFGS: 72 15:42:36 1011.080927 79.209413 BFGS: 73 15:42:36 1005.640291 78.689278 BFGS: 74 15:42:36 1000.292581 78.177160 BFGS: 75 15:42:36 995.033384 77.672485 BFGS: 76 15:42:36 989.858502 77.174752 BFGS: 77 15:42:36 984.763928 76.683499 BFGS: 78 15:42:36 979.745828 76.198297 BFGS: 79 15:42:36 974.800534 75.718738 BFGS: 80 15:42:36 969.924523 75.245386 BFGS: 81 15:42:36 965.114784 74.777707 BFGS: 82 15:42:36 960.368469 74.314593 BFGS: 83 15:42:36 955.681637 73.855666 BFGS: 84 15:42:36 951.050909 73.400583 BFGS: 85 15:42:36 946.473485 72.949709 BFGS: 86 15:42:36 941.946301 72.504809 BFGS: 87 15:42:36 937.466876 72.067369 BFGS: 88 15:42:36 933.033904 71.632688 BFGS: 89 15:42:36 928.645068 71.200634 BFGS: 90 15:42:36 924.298098 70.771023 BFGS: 91 15:42:36 919.990798 70.343654 BFGS: 92 15:42:36 915.721058 69.918333 BFGS: 93 15:42:36 911.486852 69.494870 BFGS: 94 15:42:36 907.286123 69.073066 BFGS: 95 15:42:36 903.116983 68.652753 BFGS: 96 15:42:36 898.977624 68.235004 BFGS: 97 15:42:36 894.866665 67.820457 BFGS: 98 15:42:36 890.783185 67.407043 BFGS: 99 15:42:36 886.725794 66.995496 BFGS: 100 15:42:36 882.693722 66.587518 BFGS: 101 15:42:36 878.687532 66.181091 BFGS: 102 15:42:36 874.705269 65.775669 BFGS: 103 15:42:36 870.745339 65.370999 BFGS: 104 15:42:36 866.806294 64.966923 BFGS: 105 15:42:36 862.886763 64.563316 BFGS: 106 15:42:36 858.985431 64.160066 BFGS: 107 15:42:36 855.101023 63.757355 BFGS: 108 15:42:36 851.232319 63.355431 BFGS: 109 15:42:36 847.378203 62.953769 BFGS: 110 15:42:36 843.537351 62.553516 BFGS: 111 15:42:36 839.709306 62.164165 BFGS: 112 15:42:36 835.900457 61.779917 BFGS: 113 15:42:36 832.108901 61.398236 BFGS: 114 15:42:36 828.333472 61.017241 BFGS: 115 15:42:36 824.572846 60.636617 BFGS: 116 15:42:36 820.825924 60.256211 BFGS: 117 15:42:36 817.091692 59.875919 BFGS: 118 15:42:36 813.369181 59.495657 BFGS: 119 15:42:36 809.657455 59.115350 BFGS: 120 15:42:36 805.955606 58.734928 BFGS: 121 15:42:36 802.262752 58.354324 BFGS: 122 15:42:36 798.578038 57.973478 BFGS: 123 15:42:36 794.900637 57.592384 BFGS: 124 15:42:36 791.229408 57.211134 BFGS: 125 15:42:36 787.562886 56.829502 BFGS: 126 15:42:36 783.900049 56.447219 BFGS: 127 15:42:36 780.240239 56.064302 BFGS: 128 15:42:36 776.582704 55.682240 BFGS: 129 15:42:36 772.927173 55.302348 BFGS: 130 15:42:36 769.273620 54.922440 BFGS: 131 15:42:36 765.621137 54.541990 BFGS: 132 15:42:36 761.968880 54.160842 BFGS: 133 15:42:36 758.316159 53.779956 BFGS: 134 15:42:36 754.663270 53.399408 BFGS: 135 15:42:36 751.010246 53.018365 BFGS: 136 15:42:36 747.356144 52.642232 BFGS: 137 15:42:36 743.705518 52.268392 BFGS: 138 15:42:36 740.058136 51.894745 BFGS: 139 15:42:36 736.412658 51.520818 BFGS: 140 15:42:36 732.768339 51.146474 BFGS: 141 15:42:36 729.124638 50.771677 BFGS: 142 15:42:36 725.481097 50.396424 BFGS: 143 15:42:36 721.837311 50.020724 BFGS: 144 15:42:36 718.192911 49.644595 BFGS: 145 15:42:36 714.547566 49.268059 BFGS: 146 15:42:36 710.900982 48.891145 BFGS: 147 15:42:36 707.252898 48.513884 BFGS: 148 15:42:36 703.603047 48.137947 BFGS: 149 15:42:36 699.950562 47.761993 BFGS: 150 15:42:36 696.295436 47.389081 BFGS: 151 15:42:36 692.637374 47.042166 BFGS: 152 15:42:36 688.975175 46.696498 BFGS: 153 15:42:36 685.310986 46.350749 BFGS: 154 15:42:36 681.644403 46.005050 BFGS: 155 15:42:36 677.975293 45.659469 BFGS: 156 15:42:36 674.303636 45.314053 BFGS: 157 15:42:36 670.629477 44.968847 BFGS: 158 15:42:36 666.952901 44.623898 BFGS: 159 15:42:36 663.274034 44.279253 BFGS: 160 15:42:36 659.593037 43.934964 BFGS: 161 15:42:36 655.910105 43.591083 BFGS: 162 15:42:36 652.225467 43.247667 BFGS: 163 15:42:36 648.539384 42.904771 BFGS: 164 15:42:36 644.852150 42.562457 BFGS: 165 15:42:36 641.164088 42.220783 BFGS: 166 15:42:36 637.475550 41.879812 BFGS: 167 15:42:36 633.786919 41.539604 BFGS: 168 15:42:36 630.098355 41.200243 BFGS: 169 15:42:36 626.410352 40.861778 BFGS: 170 15:42:36 622.723413 40.524413 BFGS: 171 15:42:36 619.037950 40.189360 BFGS: 172 15:42:36 615.353859 39.858782 BFGS: 173 15:42:36 611.671717 39.604980 BFGS: 174 15:42:36 607.991505 39.350333 BFGS: 175 15:42:36 604.313820 39.094810 BFGS: 176 15:42:36 600.641835 38.839202 BFGS: 177 15:42:36 596.977608 38.584389 BFGS: 178 15:42:36 593.321099 38.329029 BFGS: 179 15:42:36 589.672628 38.073082 BFGS: 180 15:42:36 586.032632 37.816641 BFGS: 181 15:42:36 582.401216 37.559831 BFGS: 182 15:42:36 578.778204 37.302354 BFGS: 183 15:42:36 575.164206 37.044212 BFGS: 184 15:42:36 571.559323 36.785425 BFGS: 185 15:42:36 567.963608 36.526870 BFGS: 186 15:42:36 564.380429 36.267951 BFGS: 187 15:42:36 560.810138 36.008682 BFGS: 188 15:42:36 557.253107 35.750596 BFGS: 189 15:42:36 553.709350 35.493120 BFGS: 190 15:42:36 550.178800 35.237253 BFGS: 191 15:42:36 546.660697 34.983078 BFGS: 192 15:42:36 543.154381 34.730988 BFGS: 193 15:42:36 539.661747 34.479856 BFGS: 194 15:42:36 536.184562 34.229433 BFGS: 195 15:42:36 532.722845 33.980552 BFGS: 196 15:42:36 529.276259 33.731618 BFGS: 197 15:42:36 525.845194 33.483228 BFGS: 198 15:42:36 522.429001 33.234914 BFGS: 199 15:42:36 519.028143 32.987116 BFGS: 200 15:42:36 515.644229 32.739519 BFGS: 201 15:42:36 512.277361 32.492328 BFGS: 202 15:42:36 508.928181 32.245626 BFGS: 203 15:42:36 505.597416 31.999497 BFGS: 204 15:42:36 502.284794 31.753950 BFGS: 205 15:42:36 498.990157 31.508812 BFGS: 206 15:42:36 495.713706 31.264117 BFGS: 207 15:42:36 492.455645 31.019901 BFGS: 208 15:42:36 489.216173 30.776199 BFGS: 209 15:42:37 485.995483 30.533046 BFGS: 210 15:42:37 482.793716 30.292757 BFGS: 211 15:42:37 479.610809 30.059831 BFGS: 212 15:42:37 476.446626 29.827565 BFGS: 213 15:42:37 473.300718 29.595942 BFGS: 214 15:42:37 470.172911 29.364964 BFGS: 215 15:42:37 467.063171 29.134649 BFGS: 216 15:42:37 463.971539 28.905018 BFGS: 217 15:42:37 460.898089 28.676094 BFGS: 218 15:42:37 457.842914 28.447902 BFGS: 219 15:42:37 454.806112 28.220468 BFGS: 220 15:42:37 451.787749 27.993814 BFGS: 221 15:42:37 448.787262 27.767945 BFGS: 222 15:42:37 445.804807 27.542966 BFGS: 223 15:42:37 442.840378 27.319266 BFGS: 224 15:42:37 439.893808 27.096425 BFGS: 225 15:42:37 436.965299 26.875958 BFGS: 226 15:42:37 434.054991 26.657660 BFGS: 227 15:42:37 431.163506 26.440293 BFGS: 228 15:42:37 428.290787 26.223861 BFGS: 229 15:42:37 425.436819 26.008374 BFGS: 230 15:42:37 422.601591 25.795148 BFGS: 231 15:42:37 419.784145 25.593384 BFGS: 232 15:42:37 416.982056 25.396881 BFGS: 233 15:42:37 414.194949 25.200917 BFGS: 234 15:42:37 411.423085 25.005537 BFGS: 235 15:42:37 408.668284 24.810928 BFGS: 236 15:42:37 405.931179 24.617158 BFGS: 237 15:42:37 403.211736 24.424237 BFGS: 238 15:42:37 400.509946 24.232175 BFGS: 239 15:42:37 397.825810 24.040985 BFGS: 240 15:42:37 395.159336 23.850675 BFGS: 241 15:42:37 392.510533 23.661258 BFGS: 242 15:42:37 389.879410 23.472742 BFGS: 243 15:42:37 387.265973 23.285135 BFGS: 244 15:42:37 384.670226 23.098448 BFGS: 245 15:42:37 382.092169 22.912685 BFGS: 246 15:42:37 379.531800 22.727856 BFGS: 247 15:42:37 376.989095 22.544164 BFGS: 248 15:42:37 374.463780 22.361471 BFGS: 249 15:42:37 371.955887 22.179717 BFGS: 250 15:42:37 369.465517 21.998916 BFGS: 251 15:42:37 366.992728 21.819076 BFGS: 252 15:42:37 364.537546 21.640203 BFGS: 253 15:42:37 362.099977 21.462303 BFGS: 254 15:42:37 359.680015 21.285378 BFGS: 255 15:42:37 357.277641 21.109430 BFGS: 256 15:42:37 354.892833 20.934460 BFGS: 257 15:42:37 352.525561 20.760469 BFGS: 258 15:42:37 350.175793 20.587457 BFGS: 259 15:42:37 347.843421 20.416198 BFGS: 260 15:42:37 345.528153 20.246286 BFGS: 261 15:42:37 343.230270 20.077797 BFGS: 262 15:42:37 340.950202 19.910372 BFGS: 263 15:42:37 338.687042 19.743980 BFGS: 264 15:42:37 336.440430 19.578602 BFGS: 265 15:42:37 334.210228 19.414226 BFGS: 266 15:42:37 331.996325 19.250841 BFGS: 267 15:42:37 329.798634 19.088439 BFGS: 268 15:42:37 327.617080 18.927013 BFGS: 269 15:42:37 325.451531 18.767319 BFGS: 270 15:42:37 323.301664 18.608654 BFGS: 271 15:42:37 321.167416 18.450951 BFGS: 272 15:42:37 319.048737 18.294204 BFGS: 273 15:42:37 316.945576 18.138406 BFGS: 274 15:42:37 314.857883 17.983551 BFGS: 275 15:42:37 312.785605 17.829632 BFGS: 276 15:42:37 310.728691 17.676645 BFGS: 277 15:42:37 308.687089 17.524581 BFGS: 278 15:42:37 306.660747 17.373437 BFGS: 279 15:42:37 304.649614 17.223205 BFGS: 280 15:42:37 302.653636 17.073880 BFGS: 281 15:42:37 300.672764 16.925457 BFGS: 282 15:42:37 298.706943 16.777930 BFGS: 283 15:42:37 296.756093 16.631818 BFGS: 284 15:42:37 294.819839 16.487307 BFGS: 285 15:42:37 292.897962 16.343782 BFGS: 286 15:42:37 290.990567 16.201129 BFGS: 287 15:42:37 289.097752 16.059357 BFGS: 288 15:42:37 287.219570 15.918470 BFGS: 289 15:42:37 285.356048 15.778470 BFGS: 290 15:42:37 283.507186 15.639358 BFGS: 291 15:42:37 281.672969 15.501130 BFGS: 292 15:42:37 279.853311 15.366594 BFGS: 293 15:42:37 278.047741 15.234237 BFGS: 294 15:42:37 276.256070 15.102667 BFGS: 295 15:42:37 274.478243 14.971880 BFGS: 296 15:42:37 272.714178 14.843882 BFGS: 297 15:42:37 270.963274 14.725339 BFGS: 298 15:42:37 269.224653 14.611316 BFGS: 299 15:42:37 267.497675 14.502498 BFGS: 300 15:42:37 265.781538 14.394131 BFGS: 301 15:42:37 264.076337 14.286227 BFGS: 302 15:42:37 262.382142 14.178795 BFGS: 303 15:42:37 260.699001 14.071844 BFGS: 304 15:42:37 259.026949 13.965378 BFGS: 305 15:42:37 257.366005 13.859417 BFGS: 306 15:42:37 255.716172 13.754217 BFGS: 307 15:42:37 254.077915 13.649543 BFGS: 308 15:42:37 252.451169 13.545392 BFGS: 309 15:42:37 250.835875 13.441765 BFGS: 310 15:42:37 249.231978 13.338659 BFGS: 311 15:42:37 247.639431 13.236074 BFGS: 312 15:42:37 246.058186 13.134010 BFGS: 313 15:42:37 244.488200 13.032464 BFGS: 314 15:42:37 242.929430 12.931437 BFGS: 315 15:42:37 241.381835 12.830928 BFGS: 316 15:42:37 239.845344 12.730955 BFGS: 317 15:42:37 238.319793 12.631524 BFGS: 318 15:42:37 236.805111 12.532630 BFGS: 319 15:42:37 235.301235 12.434270 BFGS: 320 15:42:37 233.808110 12.336440 BFGS: 321 15:42:37 232.325685 12.239137 BFGS: 322 15:42:37 230.853913 12.142359 BFGS: 323 15:42:37 229.392691 12.049789 BFGS: 324 15:42:37 227.941387 11.960981 BFGS: 325 15:42:37 226.499671 11.872625 BFGS: 326 15:42:37 225.067497 11.784718 BFGS: 327 15:42:37 223.644823 11.697257 BFGS: 328 15:42:37 222.231582 11.610663 BFGS: 329 15:42:37 220.828144 11.524583 BFGS: 330 15:42:37 219.434446 11.438967 BFGS: 331 15:42:37 218.050710 11.353834 BFGS: 332 15:42:37 216.677068 11.269194 BFGS: 333 15:42:37 215.313381 11.185038 BFGS: 334 15:42:37 213.959512 11.101372 BFGS: 335 15:42:37 212.615241 11.018203 BFGS: 336 15:42:37 211.280435 10.935515 BFGS: 337 15:42:37 209.955014 10.853302 BFGS: 338 15:42:37 208.638910 10.771557 BFGS: 339 15:42:37 207.332050 10.690289 BFGS: 340 15:42:37 206.034163 10.609968 BFGS: 341 15:42:37 204.744569 10.530449 BFGS: 342 15:42:37 203.463038 10.451371 BFGS: 343 15:42:37 202.189639 10.372738 BFGS: 344 15:42:37 200.924421 10.294595 BFGS: 345 15:42:37 199.667371 10.216970 BFGS: 346 15:42:37 198.418469 10.139785 BFGS: 347 15:42:37 197.177756 10.063042 BFGS: 348 15:42:37 195.945259 9.986740 BFGS: 349 15:42:37 194.720993 9.910877 BFGS: 350 15:42:37 193.504967 9.835453 BFGS: 351 15:42:37 192.297182 9.760464 BFGS: 352 15:42:37 191.097631 9.685909 BFGS: 353 15:42:37 189.906306 9.611785 BFGS: 354 15:42:37 188.723191 9.538090 BFGS: 355 15:42:37 187.548271 9.464824 BFGS: 356 15:42:37 186.381438 9.393261 BFGS: 357 15:42:37 185.223450 9.323288 BFGS: 358 15:42:37 184.073949 9.254864 BFGS: 359 15:42:37 182.932782 9.186928 BFGS: 360 15:42:37 181.799815 9.119468 BFGS: 361 15:42:37 180.675030 9.052481 BFGS: 362 15:42:37 179.558565 8.985975 BFGS: 363 15:42:37 178.450296 8.919938 BFGS: 364 15:42:37 177.350108 8.854359 BFGS: 365 15:42:37 176.257901 8.789229 BFGS: 366 15:42:37 175.173583 8.724538 BFGS: 367 15:42:37 174.097069 8.660278 BFGS: 368 15:42:37 173.028284 8.596441 BFGS: 369 15:42:37 171.967155 8.533020 BFGS: 370 15:42:37 170.913583 8.471815 BFGS: 371 15:42:37 169.867391 8.413685 BFGS: 372 15:42:37 168.828505 8.356824 BFGS: 373 15:42:37 167.796865 8.300297 BFGS: 374 15:42:37 166.772417 8.244102 BFGS: 375 15:42:37 165.755110 8.188239 BFGS: 376 15:42:37 164.744894 8.132706 BFGS: 377 15:42:37 163.741722 8.077502 BFGS: 378 15:42:37 162.745502 8.022625 BFGS: 379 15:42:37 161.756061 7.968076 BFGS: 380 15:42:38 160.773352 7.913854 BFGS: 381 15:42:38 159.797336 7.859955 BFGS: 382 15:42:38 158.827978 7.806379 BFGS: 383 15:42:38 157.865242 7.753123 BFGS: 384 15:42:38 156.909092 7.700185 BFGS: 385 15:42:38 155.959494 7.647565 BFGS: 386 15:42:38 155.016415 7.595258 BFGS: 387 15:42:38 154.079821 7.543264 BFGS: 388 15:42:38 153.149680 7.491581 BFGS: 389 15:42:38 152.225960 7.440206 BFGS: 390 15:42:38 151.308627 7.389138 BFGS: 391 15:42:38 150.397639 7.338512 BFGS: 392 15:42:38 149.492609 7.290344 BFGS: 393 15:42:38 148.592913 7.243250 BFGS: 394 15:42:38 147.698486 7.196451 BFGS: 395 15:42:38 146.809350 7.149941 BFGS: 396 15:42:38 145.925523 7.103715 BFGS: 397 15:42:38 145.047017 7.057771 BFGS: 398 15:42:38 144.173842 7.012103 BFGS: 399 15:42:38 143.306002 6.966707 BFGS: 400 15:42:38 142.443501 6.921582 BFGS: 401 15:42:38 141.586337 6.876722 BFGS: 402 15:42:38 140.734575 6.832130 BFGS: 403 15:42:38 139.889088 6.787847 BFGS: 404 15:42:38 139.049817 6.743869 BFGS: 405 15:42:38 138.216705 6.700191 BFGS: 406 15:42:38 137.389696 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13.430057 0.583928 BFGS: 852 15:42:40 13.360950 0.582000 BFGS: 853 15:42:40 13.292164 0.580079 BFGS: 854 15:42:40 13.223700 0.578164 BFGS: 855 15:42:40 13.155555 0.576254 BFGS: 856 15:42:40 13.087728 0.574352 BFGS: 857 15:42:40 13.020220 0.572455 BFGS: 858 15:42:40 12.953028 0.570565 BFGS: 859 15:42:40 12.886151 0.568681 BFGS: 860 15:42:40 12.819589 0.566802 BFGS: 861 15:42:40 12.753341 0.564931 BFGS: 862 15:42:40 12.687405 0.563065 BFGS: 863 15:42:40 12.621780 0.561205 BFGS: 864 15:42:40 12.556466 0.559351 BFGS: 865 15:42:40 12.491461 0.557504 BFGS: 866 15:42:40 12.426764 0.555662 BFGS: 867 15:42:40 12.362375 0.553826 BFGS: 868 15:42:40 12.298292 0.551997 BFGS: 869 15:42:40 12.234514 0.550173 BFGS: 870 15:42:40 12.171040 0.548355 BFGS: 871 15:42:40 12.107870 0.546543 BFGS: 872 15:42:40 12.045002 0.544737 BFGS: 873 15:42:40 11.982435 0.542937 BFGS: 874 15:42:40 11.920169 0.541142 BFGS: 875 15:42:40 11.858202 0.539354 BFGS: 876 15:42:40 11.796533 0.537571 BFGS: 877 15:42:40 11.735161 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15:42:41 5.663465 0.347253 BFGS: 1012 15:42:41 5.630883 0.346029 BFGS: 1013 15:42:41 5.598459 0.344806 BFGS: 1014 15:42:41 5.566193 0.343586 BFGS: 1015 15:42:41 5.534085 0.342369 BFGS: 1016 15:42:41 5.502133 0.341153 BFGS: 1017 15:42:41 5.470337 0.339940 BFGS: 1018 15:42:41 5.438697 0.338729 BFGS: 1019 15:42:41 5.407212 0.337521 BFGS: 1020 15:42:41 5.375882 0.336314 BFGS: 1021 15:42:41 5.344705 0.335110 BFGS: 1022 15:42:41 5.313682 0.333909 BFGS: 1023 15:42:41 5.282811 0.332709 BFGS: 1024 15:42:41 5.252093 0.331512 BFGS: 1025 15:42:41 5.221526 0.330317 BFGS: 1026 15:42:41 5.191111 0.329125 BFGS: 1027 15:42:41 5.160846 0.327934 BFGS: 1028 15:42:41 5.130732 0.326746 BFGS: 1029 15:42:41 5.100767 0.325560 BFGS: 1030 15:42:41 5.070951 0.324377 BFGS: 1031 15:42:41 5.041283 0.323196 BFGS: 1032 15:42:41 5.011764 0.322017 BFGS: 1033 15:42:41 4.982392 0.320840 BFGS: 1034 15:42:41 4.953167 0.319666 BFGS: 1035 15:42:41 4.924088 0.318493 BFGS: 1036 15:42:41 4.895155 0.317323 BFGS: 1037 15:42:41 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BFGS: 1090 15:42:41 3.515910 0.257308 BFGS: 1091 15:42:41 3.493317 0.256253 BFGS: 1092 15:42:41 3.470824 0.255199 BFGS: 1093 15:42:41 3.448429 0.254148 BFGS: 1094 15:42:41 3.426134 0.253099 BFGS: 1095 15:42:41 3.403938 0.252052 BFGS: 1096 15:42:41 3.381840 0.251006 BFGS: 1097 15:42:41 3.359840 0.249963 BFGS: 1098 15:42:41 3.337938 0.248922 BFGS: 1099 15:42:41 3.316133 0.247883 BFGS: 1100 15:42:41 3.294426 0.246846 BFGS: 1101 15:42:41 3.272815 0.245810 BFGS: 1102 15:42:41 3.251301 0.244777 BFGS: 1103 15:42:41 3.229883 0.243746 BFGS: 1104 15:42:41 3.208561 0.242717 BFGS: 1105 15:42:41 3.187335 0.241690 BFGS: 1106 15:42:41 3.166204 0.240665 BFGS: 1107 15:42:41 3.145169 0.239641 BFGS: 1108 15:42:41 3.124228 0.238620 BFGS: 1109 15:42:41 3.103381 0.237601 BFGS: 1110 15:42:41 3.082629 0.236584 BFGS: 1111 15:42:41 3.061970 0.235569 BFGS: 1112 15:42:41 3.041406 0.234556 BFGS: 1113 15:42:41 3.020934 0.233544 BFGS: 1114 15:42:41 3.000556 0.232535 BFGS: 1115 15:42:41 2.980270 0.231528 BFGS: 1116 15:42:41 2.960077 0.230523 BFGS: 1117 15:42:41 2.939976 0.229519 BFGS: 1118 15:42:41 2.919966 0.228518 BFGS: 1119 15:42:41 2.900049 0.227519 BFGS: 1120 15:42:42 2.880222 0.226522 BFGS: 1121 15:42:42 2.860487 0.225526 BFGS: 1122 15:42:42 2.840843 0.224533 BFGS: 1123 15:42:42 2.821289 0.223541 BFGS: 1124 15:42:42 2.801825 0.223139 BFGS: 1125 15:42:42 2.782451 0.223626 BFGS: 1126 15:42:42 2.763167 0.224110 BFGS: 1127 15:42:42 2.743972 0.224590 BFGS: 1128 15:42:42 2.724866 0.225067 BFGS: 1129 15:42:42 2.705850 0.225541 BFGS: 1130 15:42:42 2.686921 0.226011 BFGS: 1131 15:42:42 2.668081 0.226477 BFGS: 1132 15:42:42 2.649329 0.226940 BFGS: 1133 15:42:42 2.630665 0.227400 BFGS: 1134 15:42:42 2.612088 0.227855 BFGS: 1135 15:42:42 2.593599 0.228308 BFGS: 1136 15:42:42 2.575196 0.228756 BFGS: 1137 15:42:42 2.556881 0.229201 BFGS: 1138 15:42:42 2.538651 0.229643 BFGS: 1139 15:42:42 2.520508 0.230081 BFGS: 1140 15:42:42 2.502451 0.230515 BFGS: 1141 15:42:42 2.484479 0.230946 BFGS: 1142 15:42:42 2.466593 0.231373 BFGS: 1143 15:42:42 2.448792 0.231796 BFGS: 1144 15:42:42 2.431076 0.232216 BFGS: 1145 15:42:42 2.413444 0.232632 BFGS: 1146 15:42:42 2.395897 0.233044 BFGS: 1147 15:42:42 2.378434 0.233453 BFGS: 1148 15:42:42 2.361054 0.233858 BFGS: 1149 15:42:42 2.343759 0.234259 BFGS: 1150 15:42:42 2.326546 0.234657 BFGS: 1151 15:42:42 2.309417 0.235050 BFGS: 1152 15:42:42 2.292371 0.235440 BFGS: 1153 15:42:42 2.275407 0.235827 BFGS: 1154 15:42:42 2.258526 0.236209 BFGS: 1155 15:42:42 2.241727 0.236588 BFGS: 1156 15:42:42 2.225009 0.236963 BFGS: 1157 15:42:42 2.208374 0.237334 BFGS: 1158 15:42:42 2.191819 0.237702 BFGS: 1159 15:42:42 2.175346 0.238065 BFGS: 1160 15:42:42 2.158954 0.238425 BFGS: 1161 15:42:42 2.142642 0.238781 BFGS: 1162 15:42:42 2.126411 0.239133 BFGS: 1163 15:42:42 2.110260 0.239481 BFGS: 1164 15:42:42 2.094189 0.239826 BFGS: 1165 15:42:42 2.078197 0.240166 BFGS: 1166 15:42:42 2.062285 0.240503 BFGS: 1167 15:42:42 2.046453 0.240835 BFGS: 1168 15:42:42 2.030699 0.241164 BFGS: 1169 15:42:42 2.015024 0.241489 BFGS: 1170 15:42:42 1.999427 0.241810 BFGS: 1171 15:42:42 1.983909 0.242126 BFGS: 1172 15:42:42 1.968469 0.242439 BFGS: 1173 15:42:42 1.953107 0.242748 BFGS: 1174 15:42:42 1.937822 0.243053 BFGS: 1175 15:42:42 1.922615 0.243354 BFGS: 1176 15:42:42 1.907485 0.243651 BFGS: 1177 15:42:42 1.892431 0.243943 BFGS: 1178 15:42:42 1.877455 0.244232 BFGS: 1179 15:42:42 1.862555 0.244517 BFGS: 1180 15:42:42 1.847731 0.244797 BFGS: 1181 15:42:42 1.832983 0.245074 BFGS: 1182 15:42:42 1.818311 0.245346 BFGS: 1183 15:42:42 1.803714 0.245615 BFGS: 1184 15:42:42 1.789193 0.245879 BFGS: 1185 15:42:42 1.774747 0.246139 BFGS: 1186 15:42:42 1.760376 0.246395 BFGS: 1187 15:42:42 1.746079 0.246646 BFGS: 1188 15:42:42 1.731857 0.246894 BFGS: 1189 15:42:42 1.717709 0.247137 BFGS: 1190 15:42:42 1.703635 0.247376 BFGS: 1191 15:42:42 1.689635 0.247611 BFGS: 1192 15:42:42 1.675709 0.247841 BFGS: 1193 15:42:42 1.661856 0.248068 BFGS: 1194 15:42:42 1.648076 0.248290 BFGS: 1195 15:42:42 1.634369 0.248508 BFGS: 1196 15:42:42 1.620735 0.248721 BFGS: 1197 15:42:42 1.607174 0.248930 BFGS: 1198 15:42:42 1.593684 0.249135 BFGS: 1199 15:42:42 1.580267 0.249336 BFGS: 1200 15:42:42 1.566922 0.249532 BFGS: 1201 15:42:42 1.553648 0.249724 BFGS: 1202 15:42:42 1.540446 0.249911 BFGS: 1203 15:42:42 1.527316 0.250094 BFGS: 1204 15:42:42 1.514256 0.250273 BFGS: 1205 15:42:42 1.501267 0.250447 BFGS: 1206 15:42:42 1.488349 0.250617 BFGS: 1207 15:42:42 1.475501 0.250782 BFGS: 1208 15:42:42 1.462724 0.250943 BFGS: 1209 15:42:42 1.450016 0.251099 BFGS: 1210 15:42:42 1.437379 0.251251 BFGS: 1211 15:42:42 1.424811 0.251398 BFGS: 1212 15:42:42 1.412312 0.251541 BFGS: 1213 15:42:42 1.399883 0.251680 BFGS: 1214 15:42:42 1.387523 0.251813 BFGS: 1215 15:42:42 1.375232 0.251942 BFGS: 1216 15:42:42 1.363009 0.252067 BFGS: 1217 15:42:42 1.350855 0.252187 BFGS: 1218 15:42:42 1.338769 0.252302 BFGS: 1219 15:42:42 1.326752 0.252413 BFGS: 1220 15:42:42 1.314802 0.252519 BFGS: 1221 15:42:42 1.302920 0.252621 BFGS: 1222 15:42:42 1.291105 0.252717 BFGS: 1223 15:42:42 1.279358 0.252809 BFGS: 1224 15:42:42 1.267677 0.252897 BFGS: 1225 15:42:42 1.256064 0.252979 BFGS: 1226 15:42:42 1.244517 0.253057 BFGS: 1227 15:42:42 1.233037 0.253130 BFGS: 1228 15:42:42 1.221624 0.253199 BFGS: 1229 15:42:42 1.210276 0.253262 BFGS: 1230 15:42:42 1.198995 0.253321 BFGS: 1231 15:42:42 1.187779 0.253375 BFGS: 1232 15:42:42 1.176629 0.253424 BFGS: 1233 15:42:42 1.165544 0.253469 BFGS: 1234 15:42:42 1.154525 0.253508 BFGS: 1235 15:42:42 1.143571 0.253543 BFGS: 1236 15:42:42 1.132681 0.253573 BFGS: 1237 15:42:42 1.121857 0.253597 BFGS: 1238 15:42:42 1.111097 0.253617 BFGS: 1239 15:42:42 1.100401 0.253632 BFGS: 1240 15:42:42 1.089769 0.253642 BFGS: 1241 15:42:42 1.079201 0.253647 BFGS: 1242 15:42:42 1.068697 0.253647 BFGS: 1243 15:42:42 1.058257 0.253642 BFGS: 1244 15:42:42 1.047880 0.253632 BFGS: 1245 15:42:42 1.037567 0.253617 BFGS: 1246 15:42:42 1.027317 0.253597 BFGS: 1247 15:42:42 1.017129 0.253572 BFGS: 1248 15:42:42 1.007004 0.253542 BFGS: 1249 15:42:42 0.996942 0.253507 BFGS: 1250 15:42:42 0.986943 0.253466 BFGS: 1251 15:42:42 0.977005 0.253421 BFGS: 1252 15:42:42 0.967130 0.253370 BFGS: 1253 15:42:42 0.957316 0.253314 BFGS: 1254 15:42:42 0.947565 0.253253 BFGS: 1255 15:42:42 0.937874 0.253187 BFGS: 1256 15:42:42 0.928246 0.253115 BFGS: 1257 15:42:42 0.918678 0.253039 BFGS: 1258 15:42:42 0.909172 0.252957 BFGS: 1259 15:42:42 0.899726 0.252869 BFGS: 1260 15:42:42 0.890341 0.252777 BFGS: 1261 15:42:42 0.881017 0.252679 BFGS: 1262 15:42:42 0.871753 0.252576 BFGS: 1263 15:42:42 0.862549 0.252468 BFGS: 1264 15:42:42 0.853406 0.252354 BFGS: 1265 15:42:42 0.844322 0.252235 BFGS: 1266 15:42:42 0.835298 0.252110 BFGS: 1267 15:42:42 0.826334 0.251980 BFGS: 1268 15:42:42 0.817429 0.251845 BFGS: 1269 15:42:42 0.808583 0.251704 BFGS: 1270 15:42:42 0.799797 0.251558 BFGS: 1271 15:42:42 0.791069 0.251407 BFGS: 1272 15:42:42 0.782400 0.251249 BFGS: 1273 15:42:42 0.773790 0.251087 BFGS: 1274 15:42:42 0.765238 0.250919 BFGS: 1275 15:42:42 0.756745 0.250745 BFGS: 1276 15:42:42 0.748310 0.250566 BFGS: 1277 15:42:42 0.739933 0.250381 BFGS: 1278 15:42:42 0.731613 0.250190 BFGS: 1279 15:42:42 0.723352 0.249994 BFGS: 1280 15:42:42 0.715148 0.249793 BFGS: 1281 15:42:42 0.707001 0.249585 BFGS: 1282 15:42:42 0.698912 0.249372 BFGS: 1283 15:42:42 0.690880 0.249154 BFGS: 1284 15:42:42 0.682904 0.248929 BFGS: 1285 15:42:42 0.674986 0.248699 BFGS: 1286 15:42:42 0.667124 0.248464 BFGS: 1287 15:42:42 0.659319 0.248222 BFGS: 1288 15:42:42 0.651570 0.247975 BFGS: 1289 15:42:42 0.643877 0.247722 BFGS: 1290 15:42:42 0.636240 0.247463 BFGS: 1291 15:42:42 0.628659 0.247198 BFGS: 1292 15:42:42 0.621134 0.246927 BFGS: 1293 15:42:42 0.613665 0.246651 BFGS: 1294 15:42:42 0.606251 0.246368 BFGS: 1295 15:42:42 0.598893 0.246080 BFGS: 1296 15:42:42 0.591589 0.245786 BFGS: 1297 15:42:42 0.584341 0.245486 BFGS: 1298 15:42:42 0.577148 0.245180 BFGS: 1299 15:42:42 0.570009 0.244868 BFGS: 1300 15:42:42 0.562925 0.244549 BFGS: 1301 15:42:42 0.555895 0.244225 BFGS: 1302 15:42:42 0.548920 0.243895 BFGS: 1303 15:42:42 0.541999 0.243559 BFGS: 1304 15:42:42 0.535133 0.243216 BFGS: 1305 15:42:42 0.528320 0.242868 BFGS: 1306 15:42:42 0.521561 0.242513 BFGS: 1307 15:42:42 0.514855 0.242152 BFGS: 1308 15:42:42 0.508203 0.241785 BFGS: 1309 15:42:43 0.501605 0.241412 BFGS: 1310 15:42:43 0.495059 0.241033 BFGS: 1311 15:42:43 0.488567 0.240647 BFGS: 1312 15:42:43 0.482128 0.240255 BFGS: 1313 15:42:43 0.475742 0.239857 BFGS: 1314 15:42:43 0.469408 0.239453 BFGS: 1315 15:42:43 0.463127 0.239042 BFGS: 1316 15:42:43 0.456899 0.238625 BFGS: 1317 15:42:43 0.450722 0.238201 BFGS: 1318 15:42:43 0.444598 0.237771 BFGS: 1319 15:42:43 0.438526 0.237335 BFGS: 1320 15:42:43 0.432502 0.236890 BFGS: 1321 15:42:43 0.426527 0.236436 BFGS: 1322 15:42:43 0.420602 0.235972 BFGS: 1323 15:42:43 0.414725 0.235498 BFGS: 1324 15:42:43 0.408897 0.235014 BFGS: 1325 15:42:43 0.403118 0.234521 BFGS: 1326 15:42:43 0.397388 0.234018 BFGS: 1327 15:42:43 0.391706 0.233505 BFGS: 1328 15:42:43 0.386072 0.232983 BFGS: 1329 15:42:43 0.380486 0.232451 BFGS: 1330 15:42:43 0.374948 0.231909 BFGS: 1331 15:42:43 0.369459 0.231358 BFGS: 1332 15:42:43 0.364016 0.230797 BFGS: 1333 15:42:43 0.358622 0.230226 BFGS: 1334 15:42:43 0.353275 0.229645 BFGS: 1335 15:42:43 0.347975 0.229055 BFGS: 1336 15:42:43 0.342723 0.228455 BFGS: 1337 15:42:43 0.337517 0.227845 BFGS: 1338 15:42:43 0.332359 0.227226 BFGS: 1339 15:42:43 0.327247 0.226597 BFGS: 1340 15:42:43 0.322182 0.225958 BFGS: 1341 15:42:43 0.317163 0.225310 BFGS: 1342 15:42:43 0.312191 0.224652 BFGS: 1343 15:42:43 0.307263 0.223984 BFGS: 1344 15:42:43 0.302376 0.223301 BFGS: 1345 15:42:43 0.297532 0.222603 BFGS: 1346 15:42:43 0.292729 0.221889 BFGS: 1347 15:42:43 0.287968 0.221161 BFGS: 1348 15:42:43 0.283248 0.220417 BFGS: 1349 15:42:43 0.278570 0.219658 BFGS: 1350 15:42:43 0.273934 0.218884 BFGS: 1351 15:42:43 0.269339 0.218095 BFGS: 1352 15:42:43 0.264784 0.217291 BFGS: 1353 15:42:43 0.260271 0.216472 BFGS: 1354 15:42:43 0.255799 0.215638 BFGS: 1355 15:42:43 0.251368 0.214790 BFGS: 1356 15:42:43 0.246978 0.213927 BFGS: 1357 15:42:43 0.242628 0.213050 BFGS: 1358 15:42:43 0.238319 0.212158 BFGS: 1359 15:42:43 0.234051 0.211251 BFGS: 1360 15:42:43 0.229823 0.210330 BFGS: 1361 15:42:43 0.225635 0.209395 BFGS: 1362 15:42:43 0.221488 0.208446 BFGS: 1363 15:42:43 0.217381 0.207482 BFGS: 1364 15:42:43 0.213314 0.206504 BFGS: 1365 15:42:43 0.209287 0.205512 BFGS: 1366 15:42:43 0.205300 0.204505 BFGS: 1367 15:42:43 0.201354 0.203485 BFGS: 1368 15:42:43 0.197447 0.202451 BFGS: 1369 15:42:43 0.193579 0.201403 BFGS: 1370 15:42:43 0.189752 0.200341 BFGS: 1371 15:42:43 0.185964 0.199265 BFGS: 1372 15:42:43 0.182216 0.198176 BFGS: 1373 15:42:43 0.178507 0.197072 BFGS: 1374 15:42:43 0.174838 0.195956 BFGS: 1375 15:42:43 0.171208 0.194825 BFGS: 1376 15:42:43 0.167618 0.193681 BFGS: 1377 15:42:43 0.164067 0.192523 BFGS: 1378 15:42:43 0.160555 0.191352 BFGS: 1379 15:42:43 0.157082 0.190168 BFGS: 1380 15:42:43 0.153649 0.188970 BFGS: 1381 15:42:43 0.150255 0.187759 BFGS: 1382 15:42:43 0.146899 0.186534 BFGS: 1383 15:42:43 0.143583 0.185297 BFGS: 1384 15:42:43 0.140306 0.184046 BFGS: 1385 15:42:43 0.137067 0.182782 BFGS: 1386 15:42:43 0.133868 0.181505 BFGS: 1387 15:42:43 0.130707 0.180214 BFGS: 1388 15:42:43 0.127585 0.178911 BFGS: 1389 15:42:43 0.124502 0.177595 BFGS: 1390 15:42:43 0.121457 0.176266 BFGS: 1391 15:42:43 0.118451 0.174924 BFGS: 1392 15:42:43 0.115484 0.173569 BFGS: 1393 15:42:43 0.112555 0.172201 BFGS: 1394 15:42:43 0.109665 0.170820 BFGS: 1395 15:42:43 0.106814 0.169427 BFGS: 1396 15:42:43 0.104000 0.168021 BFGS: 1397 15:42:43 0.101226 0.166602 BFGS: 1398 15:42:43 0.098489 0.165171 BFGS: 1399 15:42:43 0.095791 0.163727 BFGS: 1400 15:42:43 0.093132 0.162270 BFGS: 1401 15:42:43 0.090510 0.160801 BFGS: 1402 15:42:43 0.087927 0.159319 BFGS: 1403 15:42:43 0.085383 0.157825 BFGS: 1404 15:42:43 0.082876 0.156318 BFGS: 1405 15:42:43 0.080408 0.154799 BFGS: 1406 15:42:43 0.077977 0.153268 BFGS: 1407 15:42:43 0.075585 0.151724 BFGS: 1408 15:42:43 0.073231 0.150168 BFGS: 1409 15:42:43 0.070916 0.148599 BFGS: 1410 15:42:43 0.068638 0.147019 BFGS: 1411 15:42:43 0.066398 0.145425 BFGS: 1412 15:42:43 0.064196 0.143820 BFGS: 1413 15:42:43 0.062033 0.142203 BFGS: 1414 15:42:43 0.059907 0.140573 BFGS: 1415 15:42:43 0.057819 0.138931 BFGS: 1416 15:42:43 0.055769 0.137277 BFGS: 1417 15:42:43 0.053757 0.135611 BFGS: 1418 15:42:43 0.051783 0.133933 BFGS: 1419 15:42:43 0.049847 0.132243 BFGS: 1420 15:42:43 0.047949 0.130540 BFGS: 1421 15:42:43 0.046088 0.128826 BFGS: 1422 15:42:43 0.044266 0.127100 BFGS: 1423 15:42:43 0.042481 0.125361 BFGS: 1424 15:42:43 0.040734 0.123611 BFGS: 1425 15:42:43 0.039024 0.121849 BFGS: 1426 15:42:43 0.037353 0.120075 BFGS: 1427 15:42:43 0.035719 0.118289 BFGS: 1428 15:42:43 0.034123 0.116491 BFGS: 1429 15:42:43 0.032565 0.114682 BFGS: 1430 15:42:43 0.031044 0.112861 BFGS: 1431 15:42:43 0.029562 0.111027 BFGS: 1432 15:42:43 0.028116 0.109183 BFGS: 1433 15:42:43 0.026709 0.107326 BFGS: 1434 15:42:43 0.025339 0.105458 BFGS: 1435 15:42:43 0.024007 0.103578 BFGS: 1436 15:42:43 0.022713 0.101687 BFGS: 1437 15:42:43 0.021456 0.099784 BFGS: 1438 15:42:43 0.020237 0.097869 BFGS: 1439 15:42:43 0.019055 0.095943 BFGS: 1440 15:42:43 0.017911 0.093875 BFGS: 1441 15:42:43 0.016804 0.091349 BFGS: 1442 15:42:43 0.015733 0.088833 BFGS: 1443 15:42:43 0.014700 0.086329 BFGS: 1444 15:42:43 0.013703 0.083837 BFGS: 1445 15:42:43 0.012744 0.081359 BFGS: 1446 15:42:43 0.011821 0.078895 BFGS: 1447 15:42:43 0.010934 0.076448 BFGS: 1448 15:42:43 0.010085 0.074018 BFGS: 1449 15:42:43 0.009272 0.071609 BFGS: 1450 15:42:43 0.008496 0.069220 BFGS: 1451 15:42:43 0.007756 0.066856 BFGS: 1452 15:42:43 0.007053 0.064518 BFGS: 1453 15:42:43 0.006386 0.062209 BFGS: 1454 15:42:43 0.005756 0.059933 BFGS: 1455 15:42:43 0.005161 0.057692 BFGS: 1456 15:42:43 0.004603 0.055491 BFGS: 1457 15:42:43 0.004081 0.053334 BFGS: 1458 15:42:43 0.003596 0.051227 BFGS: 1459 15:42:43 0.003146 0.049175 BFGS: 1460 15:42:43 0.002731 0.047184 BFGS: 1461 15:42:43 0.002353 0.045262 BFGS: 1462 15:42:43 0.002010 0.043415 BFGS: 1463 15:42:43 0.001703 0.041653 BFGS: 1464 15:42:43 0.001431 0.039983 BFGS: 1465 15:42:43 0.001193 0.037798 BFGS: 1466 15:42:43 0.000979 0.034215 BFGS: 1467 15:42:43 0.000786 0.030637 BFGS: 1468 15:42:43 0.000614 0.027064 BFGS: 1469 15:42:43 0.000464 0.023497 BFGS: 1470 15:42:43 0.000334 0.019934 BFGS: 1471 15:42:43 0.000226 0.016377 BFGS: 1472 15:42:43 0.000139 0.012825 BFGS: 1473 15:42:43 0.000073 0.009278 BFGS: 1474 15:42:43 0.000028 0.005736 BFGS: 1475 15:42:43 0.000004 0.002200 BFGS: 1476 15:42:43 0.000000 0.000000 Minimization converged after 1476 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 0.0 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[1.69131996e-01 9.02382901e-02 0.00000000e+00] [8.30868004e-01 9.09761710e-01 1.50662590e-33] [8.30868004e-01 9.02382901e-02 0.00000000e+00] [1.69131996e-01 9.09761710e-01 9.53152349e-35] [6.69131996e-01 5.90238290e-01 0.00000000e+00] [3.30868004e-01 4.09761710e-01 1.50500468e-33] [3.30868004e-01 5.90238290e-01 0.00000000e+00] [6.69131996e-01 4.09761710e-01 1.00904435e-34] [1.57227444e-01 3.16425104e-01 5.00000000e-01] [8.42772556e-01 6.83574896e-01 5.00000000e-01] [8.42772556e-01 3.16425104e-01 5.00000000e-01] [1.57227444e-01 6.83574896e-01 5.00000000e-01] [6.57227444e-01 8.16425104e-01 5.00000000e-01] [3.42772556e-01 1.83574896e-01 5.00000000e-01] [3.42772556e-01 8.16425104e-01 5.00000000e-01] [6.57227444e-01 1.83574896e-01 5.00000000e-01]] cellpar = Cell([[23.6063239088524, -2.1382621644847174e-33, 0.0], [-3.916373811018835e-33, 44.42863145035803, 0.0], [0.0, 0.0, 9.093884061281303]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [0. 0. 0. 0. 0. 0.] energy per atom = 0.0 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0