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 17:41:50 2068.219974 213.099906 BFGS: 1 17:41:50 2037.516632 207.689184 BFGS: 2 17:41:50 2009.833446 204.810503 BFGS: 3 17:41:50 1983.394306 201.612864 BFGS: 4 17:41:51 1954.494221 199.116221 BFGS: 5 17:41:51 1928.814992 190.457898 BFGS: 6 17:41:51 1901.300008 187.191904 BFGS: 7 17:41:51 1875.375001 183.882965 BFGS: 8 17:41:51 1851.418437 180.152508 BFGS: 9 17:41:51 1825.871464 176.908277 BFGS: 10 17:41:51 1800.489130 173.550164 BFGS: 11 17:41:51 1775.665392 170.299924 BFGS: 12 17:41:51 1751.372545 167.129656 BFGS: 13 17:41:51 1727.619826 164.037930 BFGS: 14 17:41:51 1704.401874 161.023411 BFGS: 15 17:41:52 1681.712282 158.084709 BFGS: 16 17:41:52 1659.544586 155.220740 BFGS: 17 17:41:52 1637.898070 152.461799 BFGS: 18 17:41:52 1616.746805 149.794626 BFGS: 19 17:41:52 1596.072542 147.196619 BFGS: 20 17:41:52 1575.876671 144.665239 BFGS: 21 17:41:52 1556.168305 142.200939 BFGS: 22 17:41:52 1536.936941 139.802704 BFGS: 23 17:41:52 1518.165543 137.468180 BFGS: 24 17:41:53 1499.884426 135.201698 BFGS: 25 17:41:53 1482.108068 133.003557 BFGS: 26 17:41:53 1464.825863 130.872613 BFGS: 27 17:41:53 1448.025043 128.809592 BFGS: 28 17:41:53 1431.687996 126.813897 BFGS: 29 17:41:53 1415.795995 124.882637 BFGS: 30 17:41:53 1400.341735 123.015881 BFGS: 31 17:41:53 1385.319764 121.206064 BFGS: 32 17:41:53 1370.719037 119.451378 BFGS: 33 17:41:54 1356.521788 117.747521 BFGS: 34 17:41:54 1342.717028 116.093399 BFGS: 35 17:41:54 1329.293188 114.489103 BFGS: 36 17:41:54 1316.235428 112.945534 BFGS: 37 17:41:54 1303.510014 111.446510 BFGS: 38 17:41:54 1291.095615 109.997950 BFGS: 39 17:41:54 1278.970312 108.587777 BFGS: 40 17:41:54 1267.122411 107.212998 BFGS: 41 17:41:55 1255.543532 105.876921 BFGS: 42 17:41:55 1244.251865 104.588432 BFGS: 43 17:41:55 1233.254047 103.336942 BFGS: 44 17:41:55 1222.544362 102.123946 BFGS: 45 17:41:55 1212.131341 100.946847 BFGS: 46 17:41:55 1202.009745 99.804995 BFGS: 47 17:41:55 1192.169510 98.697286 BFGS: 48 17:41:55 1182.599611 97.622538 BFGS: 49 17:41:56 1173.288695 96.579168 BFGS: 50 17:41:56 1164.226999 95.565811 BFGS: 51 17:41:56 1155.404933 94.581202 BFGS: 52 17:41:56 1146.813085 93.624133 BFGS: 53 17:41:56 1138.442231 92.693683 BFGS: 54 17:41:56 1130.282641 91.788631 BFGS: 55 17:41:56 1122.325017 90.908938 BFGS: 56 17:41:56 1114.557983 90.051969 BFGS: 57 17:41:56 1106.973330 89.216874 BFGS: 58 17:41:57 1099.563980 88.403424 BFGS: 59 17:41:57 1092.324876 87.611898 BFGS: 60 17:41:57 1085.252700 86.841341 BFGS: 61 17:41:57 1078.340446 86.089636 BFGS: 62 17:41:57 1071.581182 85.357115 BFGS: 63 17:41:57 1064.967573 84.642113 BFGS: 64 17:41:57 1058.493028 83.943462 BFGS: 65 17:41:57 1052.151329 83.260376 BFGS: 66 17:41:58 1045.936480 82.592128 BFGS: 67 17:41:58 1039.842652 81.958937 BFGS: 68 17:41:58 1033.867604 81.386660 BFGS: 69 17:41:58 1028.008863 80.825753 BFGS: 70 17:41:58 1022.260717 80.276536 BFGS: 71 17:41:58 1016.619383 79.738301 BFGS: 72 17:41:58 1011.080927 79.209413 BFGS: 73 17:41:58 1005.640291 78.689278 BFGS: 74 17:41:58 1000.292581 78.177160 BFGS: 75 17:41:59 995.033384 77.672485 BFGS: 76 17:41:59 989.858502 77.174752 BFGS: 77 17:41:59 984.763928 76.683499 BFGS: 78 17:41:59 979.745828 76.198297 BFGS: 79 17:41:59 974.800534 75.718738 BFGS: 80 17:41:59 969.924523 75.245386 BFGS: 81 17:41:59 965.114784 74.777707 BFGS: 82 17:41:59 960.368469 74.314593 BFGS: 83 17:41:59 955.681637 73.855666 BFGS: 84 17:42:00 951.050909 73.400583 BFGS: 85 17:42:00 946.473485 72.949709 BFGS: 86 17:42:00 941.946301 72.504809 BFGS: 87 17:42:00 937.466876 72.067369 BFGS: 88 17:42:00 933.033904 71.632688 BFGS: 89 17:42:00 928.645068 71.200634 BFGS: 90 17:42:00 924.298098 70.771023 BFGS: 91 17:42:00 919.990798 70.343654 BFGS: 92 17:42:01 915.721058 69.918333 BFGS: 93 17:42:01 911.486852 69.494870 BFGS: 94 17:42:01 907.286123 69.073066 BFGS: 95 17:42:01 903.116983 68.652753 BFGS: 96 17:42:01 898.977624 68.235004 BFGS: 97 17:42:01 894.866665 67.820457 BFGS: 98 17:42:01 890.783185 67.407043 BFGS: 99 17:42:01 886.725794 66.995496 BFGS: 100 17:42:01 882.693722 66.587518 BFGS: 101 17:42:01 878.687532 66.181091 BFGS: 102 17:42:01 874.705269 65.775669 BFGS: 103 17:42:02 870.745339 65.370999 BFGS: 104 17:42:02 866.806294 64.966923 BFGS: 105 17:42:02 862.886763 64.563316 BFGS: 106 17:42:02 858.985431 64.160066 BFGS: 107 17:42:02 855.101023 63.757355 BFGS: 108 17:42:02 851.232319 63.355431 BFGS: 109 17:42:02 847.378203 62.953769 BFGS: 110 17:42:02 843.537351 62.553516 BFGS: 111 17:42:02 839.709306 62.164165 BFGS: 112 17:42:02 835.900457 61.779917 BFGS: 113 17:42:02 832.108901 61.398236 BFGS: 114 17:42:02 828.333472 61.017241 BFGS: 115 17:42:03 824.572846 60.636617 BFGS: 116 17:42:03 820.825924 60.256211 BFGS: 117 17:42:03 817.091692 59.875919 BFGS: 118 17:42:03 813.369181 59.495657 BFGS: 119 17:42:03 809.657455 59.115350 BFGS: 120 17:42:03 805.955606 58.734928 BFGS: 121 17:42:03 802.262752 58.354324 BFGS: 122 17:42:03 798.578038 57.973478 BFGS: 123 17:42:03 794.900637 57.592384 BFGS: 124 17:42:03 791.229408 57.211134 BFGS: 125 17:42:03 787.562886 56.829502 BFGS: 126 17:42:03 783.900049 56.447219 BFGS: 127 17:42:03 780.240239 56.064302 BFGS: 128 17:42:04 776.582704 55.682240 BFGS: 129 17:42:04 772.927173 55.302348 BFGS: 130 17:42:04 769.273620 54.922440 BFGS: 131 17:42:04 765.621137 54.541990 BFGS: 132 17:42:04 761.968880 54.160842 BFGS: 133 17:42:04 758.316159 53.779956 BFGS: 134 17:42:04 754.663270 53.399408 BFGS: 135 17:42:04 751.010246 53.018365 BFGS: 136 17:42:04 747.356144 52.642232 BFGS: 137 17:42:04 743.705518 52.268392 BFGS: 138 17:42:04 740.058136 51.894745 BFGS: 139 17:42:04 736.412658 51.520818 BFGS: 140 17:42:04 732.768339 51.146474 BFGS: 141 17:42:05 729.124638 50.771677 BFGS: 142 17:42:05 725.481097 50.396424 BFGS: 143 17:42:05 721.837311 50.020724 BFGS: 144 17:42:05 718.192911 49.644595 BFGS: 145 17:42:05 714.547566 49.268059 BFGS: 146 17:42:05 710.900982 48.891145 BFGS: 147 17:42:05 707.252898 48.513884 BFGS: 148 17:42:05 703.603047 48.137947 BFGS: 149 17:42:05 699.950562 47.761993 BFGS: 150 17:42:05 696.295436 47.389081 BFGS: 151 17:42:05 692.637374 47.042166 BFGS: 152 17:42:05 688.975175 46.696498 BFGS: 153 17:42:05 685.310986 46.350749 BFGS: 154 17:42:06 681.644403 46.005050 BFGS: 155 17:42:06 677.975293 45.659469 BFGS: 156 17:42:06 674.303636 45.314053 BFGS: 157 17:42:06 670.629477 44.968847 BFGS: 158 17:42:06 666.952901 44.623898 BFGS: 159 17:42:06 663.274034 44.279253 BFGS: 160 17:42:06 659.593037 43.934964 BFGS: 161 17:42:06 655.910105 43.591083 BFGS: 162 17:42:06 652.225467 43.247667 BFGS: 163 17:42:06 648.539384 42.904771 BFGS: 164 17:42:06 644.852150 42.562457 BFGS: 165 17:42:06 641.164088 42.220783 BFGS: 166 17:42:07 637.475550 41.879812 BFGS: 167 17:42:07 633.786919 41.539604 BFGS: 168 17:42:07 630.098355 41.200243 BFGS: 169 17:42:07 626.410352 40.861778 BFGS: 170 17:42:07 622.723413 40.524413 BFGS: 171 17:42:07 619.037950 40.189360 BFGS: 172 17:42:07 615.353859 39.858782 BFGS: 173 17:42:07 611.671717 39.604980 BFGS: 174 17:42:07 607.991505 39.350333 BFGS: 175 17:42:07 604.313820 39.094810 BFGS: 176 17:42:07 600.641835 38.839202 BFGS: 177 17:42:07 596.977608 38.584389 BFGS: 178 17:42:07 593.321099 38.329029 BFGS: 179 17:42:07 589.672628 38.073082 BFGS: 180 17:42:08 586.032632 37.816641 BFGS: 181 17:42:08 582.401216 37.559831 BFGS: 182 17:42:08 578.778204 37.302354 BFGS: 183 17:42:08 575.164206 37.044212 BFGS: 184 17:42:08 571.559323 36.785425 BFGS: 185 17:42:08 567.963608 36.526870 BFGS: 186 17:42:08 564.380429 36.267951 BFGS: 187 17:42:08 560.810138 36.008682 BFGS: 188 17:42:08 557.253107 35.750596 BFGS: 189 17:42:08 553.709350 35.493120 BFGS: 190 17:42:08 550.178800 35.237253 BFGS: 191 17:42:08 546.660697 34.983078 BFGS: 192 17:42:08 543.154381 34.730988 BFGS: 193 17:42:08 539.661747 34.479856 BFGS: 194 17:42:08 536.184562 34.229433 BFGS: 195 17:42:09 532.722845 33.980552 BFGS: 196 17:42:09 529.276259 33.731618 BFGS: 197 17:42:09 525.845194 33.483228 BFGS: 198 17:42:09 522.429001 33.234914 BFGS: 199 17:42:09 519.028143 32.987116 BFGS: 200 17:42:09 515.644229 32.739519 BFGS: 201 17:42:09 512.277361 32.492328 BFGS: 202 17:42:09 508.928181 32.245626 BFGS: 203 17:42:09 505.597416 31.999497 BFGS: 204 17:42:09 502.284794 31.753950 BFGS: 205 17:42:09 498.990157 31.508812 BFGS: 206 17:42:09 495.713706 31.264117 BFGS: 207 17:42:09 492.455645 31.019901 BFGS: 208 17:42:09 489.216173 30.776199 BFGS: 209 17:42:09 485.995483 30.533046 BFGS: 210 17:42:09 482.793716 30.292757 BFGS: 211 17:42:10 479.610809 30.059831 BFGS: 212 17:42:10 476.446626 29.827565 BFGS: 213 17:42:10 473.300718 29.595942 BFGS: 214 17:42:10 470.172911 29.364964 BFGS: 215 17:42:10 467.063171 29.134649 BFGS: 216 17:42:10 463.971539 28.905018 BFGS: 217 17:42:10 460.898089 28.676094 BFGS: 218 17:42:10 457.842914 28.447902 BFGS: 219 17:42:10 454.806112 28.220468 BFGS: 220 17:42:10 451.787749 27.993814 BFGS: 221 17:42:10 448.787262 27.767945 BFGS: 222 17:42:10 445.804807 27.542966 BFGS: 223 17:42:10 442.840378 27.319266 BFGS: 224 17:42:10 439.893808 27.096425 BFGS: 225 17:42:10 436.965299 26.875958 BFGS: 226 17:42:11 434.054991 26.657660 BFGS: 227 17:42:11 431.163506 26.440293 BFGS: 228 17:42:11 428.290787 26.223861 BFGS: 229 17:42:11 425.436819 26.008374 BFGS: 230 17:42:11 422.601591 25.795148 BFGS: 231 17:42:11 419.784145 25.593384 BFGS: 232 17:42:11 416.982056 25.396881 BFGS: 233 17:42:11 414.194949 25.200917 BFGS: 234 17:42:11 411.423085 25.005537 BFGS: 235 17:42:11 408.668284 24.810928 BFGS: 236 17:42:11 405.931179 24.617158 BFGS: 237 17:42:11 403.211736 24.424237 BFGS: 238 17:42:11 400.509946 24.232175 BFGS: 239 17:42:12 397.825810 24.040985 BFGS: 240 17:42:12 395.159336 23.850675 BFGS: 241 17:42:12 392.510533 23.661258 BFGS: 242 17:42:12 389.879410 23.472742 BFGS: 243 17:42:12 387.265973 23.285135 BFGS: 244 17:42:12 384.670226 23.098448 BFGS: 245 17:42:12 382.092169 22.912685 BFGS: 246 17:42:12 379.531800 22.727856 BFGS: 247 17:42:12 376.989095 22.544164 BFGS: 248 17:42:12 374.463780 22.361471 BFGS: 249 17:42:12 371.955887 22.179717 BFGS: 250 17:42:12 369.465517 21.998916 BFGS: 251 17:42:12 366.992728 21.819076 BFGS: 252 17:42:13 364.537546 21.640203 BFGS: 253 17:42:13 362.099977 21.462303 BFGS: 254 17:42:13 359.680015 21.285378 BFGS: 255 17:42:13 357.277641 21.109430 BFGS: 256 17:42:13 354.892833 20.934460 BFGS: 257 17:42:13 352.525561 20.760469 BFGS: 258 17:42:13 350.175793 20.587457 BFGS: 259 17:42:13 347.843421 20.416198 BFGS: 260 17:42:13 345.528153 20.246286 BFGS: 261 17:42:13 343.230270 20.077797 BFGS: 262 17:42:13 340.950202 19.910372 BFGS: 263 17:42:13 338.687042 19.743980 BFGS: 264 17:42:13 336.440430 19.578602 BFGS: 265 17:42:14 334.210228 19.414226 BFGS: 266 17:42:14 331.996325 19.250841 BFGS: 267 17:42:14 329.798634 19.088439 BFGS: 268 17:42:14 327.617080 18.927013 BFGS: 269 17:42:14 325.451531 18.767319 BFGS: 270 17:42:14 323.301664 18.608654 BFGS: 271 17:42:14 321.167416 18.450951 BFGS: 272 17:42:14 319.048737 18.294204 BFGS: 273 17:42:14 316.945576 18.138406 BFGS: 274 17:42:14 314.857883 17.983551 BFGS: 275 17:42:14 312.785605 17.829632 BFGS: 276 17:42:14 310.728691 17.676645 BFGS: 277 17:42:15 308.687089 17.524581 BFGS: 278 17:42:15 306.660747 17.373437 BFGS: 279 17:42:15 304.649614 17.223205 BFGS: 280 17:42:15 302.653636 17.073880 BFGS: 281 17:42:15 300.672764 16.925457 BFGS: 282 17:42:15 298.706943 16.777930 BFGS: 283 17:42:15 296.756093 16.631818 BFGS: 284 17:42:15 294.819839 16.487307 BFGS: 285 17:42:15 292.897962 16.343782 BFGS: 286 17:42:15 290.990567 16.201129 BFGS: 287 17:42:15 289.097752 16.059357 BFGS: 288 17:42:16 287.219570 15.918470 BFGS: 289 17:42:16 285.356048 15.778470 BFGS: 290 17:42:16 283.507186 15.639358 BFGS: 291 17:42:16 281.672969 15.501130 BFGS: 292 17:42:16 279.853311 15.366594 BFGS: 293 17:42:16 278.047741 15.234237 BFGS: 294 17:42:16 276.256070 15.102667 BFGS: 295 17:42:16 274.478243 14.971880 BFGS: 296 17:42:16 272.714178 14.843882 BFGS: 297 17:42:16 270.963274 14.725339 BFGS: 298 17:42:17 269.224653 14.611316 BFGS: 299 17:42:17 267.497675 14.502498 BFGS: 300 17:42:17 265.781538 14.394131 BFGS: 301 17:42:17 264.076337 14.286227 BFGS: 302 17:42:17 262.382142 14.178795 BFGS: 303 17:42:17 260.699001 14.071844 BFGS: 304 17:42:17 259.026949 13.965378 BFGS: 305 17:42:17 257.366005 13.859417 BFGS: 306 17:42:17 255.716172 13.754217 BFGS: 307 17:42:18 254.077915 13.649543 BFGS: 308 17:42:18 252.451169 13.545392 BFGS: 309 17:42:18 250.835875 13.441765 BFGS: 310 17:42:18 249.231978 13.338659 BFGS: 311 17:42:18 247.639431 13.236074 BFGS: 312 17:42:18 246.058186 13.134010 BFGS: 313 17:42:18 244.488200 13.032464 BFGS: 314 17:42:18 242.929430 12.931437 BFGS: 315 17:42:18 241.381835 12.830928 BFGS: 316 17:42:19 239.845344 12.730955 BFGS: 317 17:42:19 238.319793 12.631524 BFGS: 318 17:42:19 236.805111 12.532630 BFGS: 319 17:42:19 235.301235 12.434270 BFGS: 320 17:42:19 233.808110 12.336440 BFGS: 321 17:42:19 232.325685 12.239137 BFGS: 322 17:42:19 230.853913 12.142359 BFGS: 323 17:42:19 229.392691 12.049789 BFGS: 324 17:42:19 227.941387 11.960981 BFGS: 325 17:42:19 226.499671 11.872625 BFGS: 326 17:42:20 225.067497 11.784718 BFGS: 327 17:42:20 223.644823 11.697257 BFGS: 328 17:42:20 222.231582 11.610663 BFGS: 329 17:42:20 220.828144 11.524583 BFGS: 330 17:42:20 219.434446 11.438967 BFGS: 331 17:42:20 218.050710 11.353834 BFGS: 332 17:42:20 216.677068 11.269194 BFGS: 333 17:42:20 215.313381 11.185038 BFGS: 334 17:42:20 213.959512 11.101372 BFGS: 335 17:42:21 212.615241 11.018203 BFGS: 336 17:42:21 211.280435 10.935515 BFGS: 337 17:42:21 209.955014 10.853302 BFGS: 338 17:42:21 208.638910 10.771557 BFGS: 339 17:42:21 207.332050 10.690289 BFGS: 340 17:42:21 206.034163 10.609968 BFGS: 341 17:42:21 204.744569 10.530449 BFGS: 342 17:42:22 203.463038 10.451371 BFGS: 343 17:42:22 202.189639 10.372738 BFGS: 344 17:42:22 200.924421 10.294595 BFGS: 345 17:42:22 199.667371 10.216970 BFGS: 346 17:42:22 198.418469 10.139785 BFGS: 347 17:42:22 197.177756 10.063042 BFGS: 348 17:42:22 195.945259 9.986740 BFGS: 349 17:42:22 194.720993 9.910877 BFGS: 350 17:42:23 193.504967 9.835453 BFGS: 351 17:42:23 192.297182 9.760464 BFGS: 352 17:42:23 191.097631 9.685909 BFGS: 353 17:42:23 189.906306 9.611785 BFGS: 354 17:42:23 188.723191 9.538090 BFGS: 355 17:42:23 187.548271 9.464824 BFGS: 356 17:42:23 186.381438 9.393261 BFGS: 357 17:42:23 185.223450 9.323288 BFGS: 358 17:42:23 184.073949 9.254864 BFGS: 359 17:42:24 182.932782 9.186928 BFGS: 360 17:42:24 181.799815 9.119468 BFGS: 361 17:42:24 180.675030 9.052481 BFGS: 362 17:42:24 179.558565 8.985975 BFGS: 363 17:42:24 178.450296 8.919938 BFGS: 364 17:42:24 177.350108 8.854359 BFGS: 365 17:42:24 176.257901 8.789229 BFGS: 366 17:42:24 175.173583 8.724538 BFGS: 367 17:42:25 174.097069 8.660278 BFGS: 368 17:42:25 173.028284 8.596441 BFGS: 369 17:42:25 171.967155 8.533020 BFGS: 370 17:42:25 170.913583 8.471815 BFGS: 371 17:42:25 169.867391 8.413685 BFGS: 372 17:42:25 168.828505 8.356824 BFGS: 373 17:42:25 167.796865 8.300297 BFGS: 374 17:42:25 166.772417 8.244102 BFGS: 375 17:42:26 165.755110 8.188239 BFGS: 376 17:42:26 164.744894 8.132706 BFGS: 377 17:42:26 163.741722 8.077502 BFGS: 378 17:42:26 162.745502 8.022625 BFGS: 379 17:42:26 161.756061 7.968076 BFGS: 380 17:42:26 160.773352 7.913854 BFGS: 381 17:42:26 159.797336 7.859955 BFGS: 382 17:42:26 158.827978 7.806379 BFGS: 383 17:42:26 157.865242 7.753123 BFGS: 384 17:42:27 156.909092 7.700185 BFGS: 385 17:42:27 155.959494 7.647565 BFGS: 386 17:42:27 155.016415 7.595258 BFGS: 387 17:42:27 154.079821 7.543264 BFGS: 388 17:42:27 153.149680 7.491581 BFGS: 389 17:42:27 152.225960 7.440206 BFGS: 390 17:42:27 151.308627 7.389138 BFGS: 391 17:42:28 150.397639 7.338512 BFGS: 392 17:42:28 149.492609 7.290344 BFGS: 393 17:42:28 148.592913 7.243250 BFGS: 394 17:42:28 147.698486 7.196451 BFGS: 395 17:42:28 146.809350 7.149941 BFGS: 396 17:42:28 145.925523 7.103715 BFGS: 397 17:42:28 145.047017 7.057771 BFGS: 398 17:42:29 144.173842 7.012103 BFGS: 399 17:42:29 143.306002 6.966707 BFGS: 400 17:42:29 142.443501 6.921582 BFGS: 401 17:42:29 141.586337 6.876722 BFGS: 402 17:42:29 140.734575 6.832130 BFGS: 403 17:42:29 139.889088 6.787847 BFGS: 404 17:42:29 139.049817 6.743869 BFGS: 405 17:42:30 138.216705 6.700191 BFGS: 406 17:42:30 137.389696 6.656808 BFGS: 407 17:42:30 136.568734 6.613714 BFGS: 408 17:42:30 135.753768 6.570907 BFGS: 409 17:42:30 134.944745 6.528382 BFGS: 410 17:42:30 134.141615 6.486135 BFGS: 411 17:42:30 133.344329 6.444163 BFGS: 412 17:42:30 132.552839 6.402461 BFGS: 413 17:42:31 131.767097 6.361026 BFGS: 414 17:42:31 130.987058 6.319856 BFGS: 415 17:42:31 130.212677 6.278946 BFGS: 416 17:42:31 129.443908 6.238294 BFGS: 417 17:42:31 128.680708 6.197897 BFGS: 418 17:42:31 127.923035 6.157752 BFGS: 419 17:42:31 127.170846 6.117856 BFGS: 420 17:42:31 126.424063 6.078877 BFGS: 421 17:42:32 125.682534 6.040317 BFGS: 422 17:42:32 124.946209 6.001989 BFGS: 423 17:42:32 124.215051 5.963890 BFGS: 424 17:42:32 123.489023 5.926018 BFGS: 425 17:42:32 122.768090 5.888370 BFGS: 426 17:42:32 122.052216 5.850942 BFGS: 427 17:42:32 121.341369 5.813734 BFGS: 428 17:42:33 120.635513 5.776741 BFGS: 429 17:42:33 119.934616 5.739962 BFGS: 430 17:42:33 119.238645 5.703395 BFGS: 431 17:42:33 118.547568 5.667038 BFGS: 432 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4.799227 BFGS: 458 17:42:37 101.623754 4.769616 BFGS: 459 17:42:37 101.056376 4.740199 BFGS: 460 17:42:37 100.492889 4.710965 BFGS: 461 17:42:37 99.933228 4.683819 BFGS: 462 17:42:37 99.377150 4.657611 BFGS: 463 17:42:38 98.824502 4.632240 BFGS: 464 17:42:38 98.275178 4.606991 BFGS: 465 17:42:38 97.729163 4.581864 BFGS: 466 17:42:38 97.186439 4.556860 BFGS: 467 17:42:38 96.646989 4.531979 BFGS: 468 17:42:38 96.110798 4.507220 BFGS: 469 17:42:38 95.577847 4.482585 BFGS: 470 17:42:39 95.048119 4.458073 BFGS: 471 17:42:39 94.521596 4.433683 BFGS: 472 17:42:39 93.998262 4.409416 BFGS: 473 17:42:39 93.478098 4.385272 BFGS: 474 17:42:39 92.961087 4.361249 BFGS: 475 17:42:39 92.447183 4.337965 BFGS: 476 17:42:39 91.936274 4.314943 BFGS: 477 17:42:39 91.428334 4.292026 BFGS: 478 17:42:39 90.923351 4.269213 BFGS: 479 17:42:40 90.421313 4.246506 BFGS: 480 17:42:40 89.922208 4.223903 BFGS: 481 17:42:40 89.426023 4.201407 BFGS: 482 17:42:40 88.932745 4.179015 BFGS: 483 17:42:40 88.442361 4.156729 BFGS: 484 17:42:40 87.954859 4.134548 BFGS: 485 17:42:40 87.470224 4.112472 BFGS: 486 17:42:40 86.988443 4.090501 BFGS: 487 17:42:41 86.509503 4.068635 BFGS: 488 17:42:41 86.033390 4.046872 BFGS: 489 17:42:41 85.560092 4.025214 BFGS: 490 17:42:41 85.089593 4.003660 BFGS: 491 17:42:41 84.621881 3.982209 BFGS: 492 17:42:41 84.156942 3.960860 BFGS: 493 17:42:41 83.694762 3.939614 BFGS: 494 17:42:41 83.235328 3.918471 BFGS: 495 17:42:41 82.778626 3.897428 BFGS: 496 17:42:41 82.324642 3.876487 BFGS: 497 17:42:42 81.873363 3.855646 BFGS: 498 17:42:42 81.424775 3.834906 BFGS: 499 17:42:42 80.978865 3.814265 BFGS: 500 17:42:42 80.535618 3.793723 BFGS: 501 17:42:42 80.095023 3.773280 BFGS: 502 17:42:42 79.657065 3.752934 BFGS: 503 17:42:42 79.221731 3.732686 BFGS: 504 17:42:42 78.789008 3.712535 BFGS: 505 17:42:42 78.358882 3.692481 BFGS: 506 17:42:43 77.931340 3.672522 BFGS: 507 17:42:43 77.506370 3.652659 BFGS: 508 17:42:43 77.083958 3.632890 BFGS: 509 17:42:43 76.664039 3.613524 BFGS: 510 17:42:43 76.246528 3.594266 BFGS: 511 17:42:43 75.831412 3.575103 BFGS: 512 17:42:43 75.418676 3.556034 BFGS: 513 17:42:43 75.008309 3.537057 BFGS: 514 17:42:44 74.600299 3.518173 BFGS: 515 17:42:44 74.194634 3.499380 BFGS: 516 17:42:44 73.791301 3.480678 BFGS: 517 17:42:44 73.390289 3.462066 BFGS: 518 17:42:44 72.991585 3.443543 BFGS: 519 17:42:44 72.595179 3.425109 BFGS: 520 17:42:44 72.201058 3.406763 BFGS: 521 17:42:44 71.809211 3.388504 BFGS: 522 17:42:44 71.419628 3.370332 BFGS: 523 17:42:44 71.032295 3.352247 BFGS: 524 17:42:45 70.647204 3.334247 BFGS: 525 17:42:45 70.264341 3.316332 BFGS: 526 17:42:45 69.883696 3.298502 BFGS: 527 17:42:45 69.505259 3.280756 BFGS: 528 17:42:45 69.129018 3.263093 BFGS: 529 17:42:45 68.754963 3.245513 BFGS: 530 17:42:45 68.383083 3.228016 BFGS: 531 17:42:45 68.013367 3.210600 BFGS: 532 17:42:45 67.645805 3.193266 BFGS: 533 17:42:46 67.280386 3.176012 BFGS: 534 17:42:46 66.917099 3.158839 BFGS: 535 17:42:46 66.555935 3.141745 BFGS: 536 17:42:46 66.196883 3.124731 BFGS: 537 17:42:46 65.839933 3.107796 BFGS: 538 17:42:46 65.485074 3.090939 BFGS: 539 17:42:46 65.132297 3.074160 BFGS: 540 17:42:46 64.781591 3.057458 BFGS: 541 17:42:46 64.432946 3.040833 BFGS: 542 17:42:47 64.086324 3.024284 BFGS: 543 17:42:47 63.741697 3.007811 BFGS: 544 17:42:47 63.399055 2.991414 BFGS: 545 17:42:47 63.058389 2.975091 BFGS: 546 17:42:47 62.719673 2.958841 BFGS: 547 17:42:47 62.382849 2.942660 BFGS: 548 17:42:47 62.047911 2.926547 BFGS: 549 17:42:47 61.714851 2.910503 BFGS: 550 17:42:47 61.383662 2.894526 BFGS: 551 17:42:48 61.054336 2.878617 BFGS: 552 17:42:48 60.726855 2.863210 BFGS: 553 17:42:48 60.401214 2.848007 BFGS: 554 17:42:48 60.077413 2.832875 BFGS: 555 17:42:48 59.755443 2.817814 BFGS: 556 17:42:48 59.435293 2.802822 BFGS: 557 17:42:48 59.116955 2.787900 BFGS: 558 17:42:48 58.800419 2.773047 BFGS: 559 17:42:48 58.485676 2.758262 BFGS: 560 17:42:49 58.172717 2.743544 BFGS: 561 17:42:49 57.861534 2.728894 BFGS: 562 17:42:49 57.552117 2.714310 BFGS: 563 17:42:49 57.244458 2.699792 BFGS: 564 17:42:49 56.938548 2.685340 BFGS: 565 17:42:49 56.634379 2.670952 BFGS: 566 17:42:49 56.331942 2.656630 BFGS: 567 17:42:49 56.031230 2.642371 BFGS: 568 17:42:49 55.732232 2.628175 BFGS: 569 17:42:50 55.434942 2.614043 BFGS: 570 17:42:50 55.139352 2.599974 BFGS: 571 17:42:50 54.845453 2.585967 BFGS: 572 17:42:50 54.553237 2.572021 BFGS: 573 17:42:50 54.262696 2.558137 BFGS: 574 17:42:50 53.973823 2.544314 BFGS: 575 17:42:50 53.686609 2.530551 BFGS: 576 17:42:50 53.401048 2.516849 BFGS: 577 17:42:50 53.117131 2.503206 BFGS: 578 17:42:51 52.834851 2.489623 BFGS: 579 17:42:51 52.554200 2.476099 BFGS: 580 17:42:51 52.275170 2.462633 BFGS: 581 17:42:51 51.997755 2.449226 BFGS: 582 17:42:51 51.721947 2.435876 BFGS: 583 17:42:51 51.447738 2.422584 BFGS: 584 17:42:51 51.175121 2.409349 BFGS: 585 17:42:51 50.904090 2.396171 BFGS: 586 17:42:51 50.634636 2.383050 BFGS: 587 17:42:52 50.366754 2.369984 BFGS: 588 17:42:52 50.100434 2.356974 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37.982428 1.744198 BFGS: 642 17:42:56 37.787293 1.733828 BFGS: 643 17:42:57 37.593302 1.723496 BFGS: 644 17:42:57 37.400451 1.713202 BFGS: 645 17:42:57 37.208736 1.702944 BFGS: 646 17:42:57 37.018151 1.692724 BFGS: 647 17:42:57 36.828675 1.682539 BFGS: 648 17:42:57 36.640289 1.672389 BFGS: 649 17:42:57 36.452989 1.662271 BFGS: 650 17:42:57 36.266774 1.652187 BFGS: 651 17:42:57 36.081639 1.642136 BFGS: 652 17:42:57 35.897581 1.632119 BFGS: 653 17:42:57 35.714597 1.622135 BFGS: 654 17:42:57 35.532683 1.612184 BFGS: 655 17:42:58 35.351836 1.602267 BFGS: 656 17:42:58 35.172053 1.592383 BFGS: 657 17:42:58 34.993330 1.582532 BFGS: 658 17:42:58 34.815664 1.572715 BFGS: 659 17:42:58 34.639051 1.562931 BFGS: 660 17:42:58 34.463488 1.553180 BFGS: 661 17:42:58 34.288972 1.543462 BFGS: 662 17:42:58 34.115499 1.533778 BFGS: 663 17:42:58 33.943066 1.524126 BFGS: 664 17:42:58 33.771669 1.514508 BFGS: 665 17:42:58 33.601305 1.504922 BFGS: 666 17:42:59 33.431971 1.495370 BFGS: 667 17:42:59 33.263663 1.485850 BFGS: 668 17:42:59 33.096378 1.476363 BFGS: 669 17:42:59 32.930113 1.466909 BFGS: 670 17:42:59 32.764863 1.457487 BFGS: 671 17:42:59 32.600626 1.448098 BFGS: 672 17:42:59 32.437399 1.438741 BFGS: 673 17:42:59 32.275177 1.429416 BFGS: 674 17:42:59 32.113958 1.420124 BFGS: 675 17:42:59 31.953738 1.410864 BFGS: 676 17:43:00 31.794515 1.401636 BFGS: 677 17:43:00 31.636283 1.392440 BFGS: 678 17:43:00 31.479041 1.383275 BFGS: 679 17:43:00 31.322785 1.374143 BFGS: 680 17:43:00 31.167511 1.365042 BFGS: 681 17:43:00 31.013217 1.355972 BFGS: 682 17:43:00 30.859899 1.346935 BFGS: 683 17:43:00 30.707553 1.337928 BFGS: 684 17:43:00 30.556177 1.328953 BFGS: 685 17:43:01 30.405767 1.320012 BFGS: 686 17:43:01 30.256308 1.311593 BFGS: 687 17:43:01 30.107793 1.303207 BFGS: 688 17:43:01 29.960220 1.294852 BFGS: 689 17:43:01 29.813583 1.286529 BFGS: 690 17:43:01 29.667880 1.278238 BFGS: 691 17:43:01 29.523105 1.269978 BFGS: 692 17:43:01 29.379256 1.261749 BFGS: 693 17:43:01 29.236312 1.253550 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13.430057 0.583928 BFGS: 852 17:43:16 13.360950 0.582000 BFGS: 853 17:43:16 13.292164 0.580079 BFGS: 854 17:43:16 13.223700 0.578164 BFGS: 855 17:43:16 13.155555 0.576254 BFGS: 856 17:43:16 13.087728 0.574352 BFGS: 857 17:43:16 13.020220 0.572455 BFGS: 858 17:43:16 12.953028 0.570565 BFGS: 859 17:43:17 12.886151 0.568681 BFGS: 860 17:43:17 12.819589 0.566802 BFGS: 861 17:43:17 12.753341 0.564931 BFGS: 862 17:43:17 12.687405 0.563065 BFGS: 863 17:43:17 12.621780 0.561205 BFGS: 864 17:43:17 12.556466 0.559351 BFGS: 865 17:43:17 12.491461 0.557504 BFGS: 866 17:43:17 12.426764 0.555662 BFGS: 867 17:43:17 12.362375 0.553826 BFGS: 868 17:43:17 12.298292 0.551997 BFGS: 869 17:43:17 12.234514 0.550173 BFGS: 870 17:43:18 12.171040 0.548355 BFGS: 871 17:43:18 12.107870 0.546543 BFGS: 872 17:43:18 12.045002 0.544737 BFGS: 873 17:43:18 11.982435 0.542937 BFGS: 874 17:43:18 11.920169 0.541142 BFGS: 875 17:43:18 11.858202 0.539354 BFGS: 876 17:43:18 11.796533 0.537571 BFGS: 877 17:43:18 11.735161 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BFGS: 1090 17:43:36 3.515910 0.257308 BFGS: 1091 17:43:36 3.493317 0.256253 BFGS: 1092 17:43:36 3.470824 0.255199 BFGS: 1093 17:43:36 3.448429 0.254148 BFGS: 1094 17:43:36 3.426134 0.253099 BFGS: 1095 17:43:36 3.403938 0.252052 BFGS: 1096 17:43:36 3.381840 0.251006 BFGS: 1097 17:43:36 3.359840 0.249963 BFGS: 1098 17:43:37 3.337938 0.248922 BFGS: 1099 17:43:37 3.316133 0.247883 BFGS: 1100 17:43:37 3.294426 0.246846 BFGS: 1101 17:43:37 3.272815 0.245810 BFGS: 1102 17:43:37 3.251301 0.244777 BFGS: 1103 17:43:37 3.229883 0.243746 BFGS: 1104 17:43:37 3.208561 0.242717 BFGS: 1105 17:43:37 3.187335 0.241690 BFGS: 1106 17:43:37 3.166204 0.240665 BFGS: 1107 17:43:37 3.145169 0.239641 BFGS: 1108 17:43:37 3.124228 0.238620 BFGS: 1109 17:43:38 3.103381 0.237601 BFGS: 1110 17:43:38 3.082629 0.236584 BFGS: 1111 17:43:38 3.061970 0.235569 BFGS: 1112 17:43:38 3.041406 0.234556 BFGS: 1113 17:43:38 3.020934 0.233544 BFGS: 1114 17:43:38 3.000556 0.232535 BFGS: 1115 17:43:38 2.980270 0.231528 BFGS: 1116 17:43:38 2.960077 0.230523 BFGS: 1117 17:43:38 2.939976 0.229519 BFGS: 1118 17:43:38 2.919966 0.228518 BFGS: 1119 17:43:38 2.900049 0.227519 BFGS: 1120 17:43:38 2.880222 0.226522 BFGS: 1121 17:43:39 2.860487 0.225526 BFGS: 1122 17:43:39 2.840843 0.224533 BFGS: 1123 17:43:39 2.821289 0.223541 BFGS: 1124 17:43:39 2.801825 0.223139 BFGS: 1125 17:43:39 2.782451 0.223626 BFGS: 1126 17:43:39 2.763167 0.224110 BFGS: 1127 17:43:39 2.743972 0.224590 BFGS: 1128 17:43:39 2.724866 0.225067 BFGS: 1129 17:43:39 2.705850 0.225541 BFGS: 1130 17:43:39 2.686921 0.226011 BFGS: 1131 17:43:39 2.668081 0.226477 BFGS: 1132 17:43:40 2.649329 0.226940 BFGS: 1133 17:43:40 2.630665 0.227400 BFGS: 1134 17:43:40 2.612088 0.227855 BFGS: 1135 17:43:40 2.593599 0.228308 BFGS: 1136 17:43:40 2.575196 0.228756 BFGS: 1137 17:43:40 2.556881 0.229201 BFGS: 1138 17:43:40 2.538651 0.229643 BFGS: 1139 17:43:40 2.520508 0.230081 BFGS: 1140 17:43:40 2.502451 0.230515 BFGS: 1141 17:43:40 2.484479 0.230946 BFGS: 1142 17:43:40 2.466593 0.231373 BFGS: 1143 17:43:41 2.448792 0.231796 BFGS: 1144 17:43:41 2.431076 0.232216 BFGS: 1145 17:43:41 2.413444 0.232632 BFGS: 1146 17:43:41 2.395897 0.233044 BFGS: 1147 17:43:41 2.378434 0.233453 BFGS: 1148 17:43:41 2.361054 0.233858 BFGS: 1149 17:43:41 2.343759 0.234259 BFGS: 1150 17:43:41 2.326546 0.234657 BFGS: 1151 17:43:41 2.309417 0.235050 BFGS: 1152 17:43:41 2.292371 0.235440 BFGS: 1153 17:43:41 2.275407 0.235827 BFGS: 1154 17:43:41 2.258526 0.236209 BFGS: 1155 17:43:41 2.241727 0.236588 BFGS: 1156 17:43:42 2.225009 0.236963 BFGS: 1157 17:43:42 2.208374 0.237334 BFGS: 1158 17:43:42 2.191819 0.237702 BFGS: 1159 17:43:42 2.175346 0.238065 BFGS: 1160 17:43:42 2.158954 0.238425 BFGS: 1161 17:43:42 2.142642 0.238781 BFGS: 1162 17:43:42 2.126411 0.239133 BFGS: 1163 17:43:42 2.110260 0.239481 BFGS: 1164 17:43:42 2.094189 0.239826 BFGS: 1165 17:43:42 2.078197 0.240166 BFGS: 1166 17:43:42 2.062285 0.240503 BFGS: 1167 17:43:42 2.046453 0.240835 BFGS: 1168 17:43:42 2.030699 0.241164 BFGS: 1169 17:43:42 2.015024 0.241489 BFGS: 1170 17:43:42 1.999427 0.241810 BFGS: 1171 17:43:42 1.983909 0.242126 BFGS: 1172 17:43:43 1.968469 0.242439 BFGS: 1173 17:43:43 1.953107 0.242748 BFGS: 1174 17:43:43 1.937822 0.243053 BFGS: 1175 17:43:43 1.922615 0.243354 BFGS: 1176 17:43:43 1.907485 0.243651 BFGS: 1177 17:43:43 1.892431 0.243943 BFGS: 1178 17:43:43 1.877455 0.244232 BFGS: 1179 17:43:43 1.862555 0.244517 BFGS: 1180 17:43:43 1.847731 0.244797 BFGS: 1181 17:43:43 1.832983 0.245074 BFGS: 1182 17:43:43 1.818311 0.245346 BFGS: 1183 17:43:43 1.803714 0.245615 BFGS: 1184 17:43:43 1.789193 0.245879 BFGS: 1185 17:43:43 1.774747 0.246139 BFGS: 1186 17:43:43 1.760376 0.246395 BFGS: 1187 17:43:44 1.746079 0.246646 BFGS: 1188 17:43:44 1.731857 0.246894 BFGS: 1189 17:43:44 1.717709 0.247137 BFGS: 1190 17:43:44 1.703635 0.247376 BFGS: 1191 17:43:44 1.689635 0.247611 BFGS: 1192 17:43:44 1.675709 0.247841 BFGS: 1193 17:43:44 1.661856 0.248068 BFGS: 1194 17:43:44 1.648076 0.248290 BFGS: 1195 17:43:44 1.634369 0.248508 BFGS: 1196 17:43:44 1.620735 0.248721 BFGS: 1197 17:43:44 1.607174 0.248930 BFGS: 1198 17:43:44 1.593684 0.249135 BFGS: 1199 17:43:44 1.580267 0.249336 BFGS: 1200 17:43:44 1.566922 0.249532 BFGS: 1201 17:43:45 1.553648 0.249724 BFGS: 1202 17:43:45 1.540446 0.249911 BFGS: 1203 17:43:45 1.527316 0.250094 BFGS: 1204 17:43:45 1.514256 0.250273 BFGS: 1205 17:43:45 1.501267 0.250447 BFGS: 1206 17:43:45 1.488349 0.250617 BFGS: 1207 17:43:45 1.475501 0.250782 BFGS: 1208 17:43:45 1.462724 0.250943 BFGS: 1209 17:43:45 1.450016 0.251099 BFGS: 1210 17:43:45 1.437379 0.251251 BFGS: 1211 17:43:45 1.424811 0.251398 BFGS: 1212 17:43:45 1.412312 0.251541 BFGS: 1213 17:43:45 1.399883 0.251680 BFGS: 1214 17:43:45 1.387523 0.251813 BFGS: 1215 17:43:45 1.375232 0.251942 BFGS: 1216 17:43:46 1.363009 0.252067 BFGS: 1217 17:43:46 1.350855 0.252187 BFGS: 1218 17:43:46 1.338769 0.252302 BFGS: 1219 17:43:46 1.326752 0.252413 BFGS: 1220 17:43:46 1.314802 0.252519 BFGS: 1221 17:43:46 1.302920 0.252621 BFGS: 1222 17:43:46 1.291105 0.252717 BFGS: 1223 17:43:46 1.279358 0.252809 BFGS: 1224 17:43:46 1.267677 0.252897 BFGS: 1225 17:43:46 1.256064 0.252979 BFGS: 1226 17:43:46 1.244517 0.253057 BFGS: 1227 17:43:46 1.233037 0.253130 BFGS: 1228 17:43:46 1.221624 0.253199 BFGS: 1229 17:43:46 1.210276 0.253262 BFGS: 1230 17:43:46 1.198995 0.253321 BFGS: 1231 17:43:47 1.187779 0.253375 BFGS: 1232 17:43:47 1.176629 0.253424 BFGS: 1233 17:43:47 1.165544 0.253469 BFGS: 1234 17:43:47 1.154525 0.253508 BFGS: 1235 17:43:47 1.143571 0.253543 BFGS: 1236 17:43:47 1.132681 0.253573 BFGS: 1237 17:43:47 1.121857 0.253597 BFGS: 1238 17:43:47 1.111097 0.253617 BFGS: 1239 17:43:47 1.100401 0.253632 BFGS: 1240 17:43:47 1.089769 0.253642 BFGS: 1241 17:43:47 1.079201 0.253647 BFGS: 1242 17:43:47 1.068697 0.253647 BFGS: 1243 17:43:47 1.058257 0.253642 BFGS: 1244 17:43:47 1.047880 0.253632 BFGS: 1245 17:43:48 1.037567 0.253617 BFGS: 1246 17:43:48 1.027317 0.253597 BFGS: 1247 17:43:48 1.017129 0.253572 BFGS: 1248 17:43:48 1.007004 0.253542 BFGS: 1249 17:43:48 0.996942 0.253507 BFGS: 1250 17:43:48 0.986943 0.253466 BFGS: 1251 17:43:48 0.977005 0.253421 BFGS: 1252 17:43:48 0.967130 0.253370 BFGS: 1253 17:43:48 0.957316 0.253314 BFGS: 1254 17:43:48 0.947565 0.253253 BFGS: 1255 17:43:48 0.937874 0.253187 BFGS: 1256 17:43:48 0.928246 0.253115 BFGS: 1257 17:43:48 0.918678 0.253039 BFGS: 1258 17:43:49 0.909172 0.252957 BFGS: 1259 17:43:49 0.899726 0.252869 BFGS: 1260 17:43:49 0.890341 0.252777 BFGS: 1261 17:43:49 0.881017 0.252679 BFGS: 1262 17:43:49 0.871753 0.252576 BFGS: 1263 17:43:49 0.862549 0.252468 BFGS: 1264 17:43:49 0.853406 0.252354 BFGS: 1265 17:43:49 0.844322 0.252235 BFGS: 1266 17:43:49 0.835298 0.252110 BFGS: 1267 17:43:49 0.826334 0.251980 BFGS: 1268 17:43:49 0.817429 0.251845 BFGS: 1269 17:43:49 0.808583 0.251704 BFGS: 1270 17:43:49 0.799797 0.251558 BFGS: 1271 17:43:49 0.791069 0.251407 BFGS: 1272 17:43:49 0.782400 0.251249 BFGS: 1273 17:43:49 0.773790 0.251087 BFGS: 1274 17:43:50 0.765238 0.250919 BFGS: 1275 17:43:50 0.756745 0.250745 BFGS: 1276 17:43:50 0.748310 0.250566 BFGS: 1277 17:43:50 0.739933 0.250381 BFGS: 1278 17:43:50 0.731613 0.250190 BFGS: 1279 17:43:50 0.723352 0.249994 BFGS: 1280 17:43:50 0.715148 0.249793 BFGS: 1281 17:43:50 0.707001 0.249585 BFGS: 1282 17:43:50 0.698912 0.249372 BFGS: 1283 17:43:50 0.690880 0.249154 BFGS: 1284 17:43:50 0.682904 0.248929 BFGS: 1285 17:43:50 0.674986 0.248699 BFGS: 1286 17:43:50 0.667124 0.248464 BFGS: 1287 17:43:50 0.659319 0.248222 BFGS: 1288 17:43:51 0.651570 0.247975 BFGS: 1289 17:43:51 0.643877 0.247722 BFGS: 1290 17:43:51 0.636240 0.247463 BFGS: 1291 17:43:51 0.628659 0.247198 BFGS: 1292 17:43:51 0.621134 0.246927 BFGS: 1293 17:43:51 0.613665 0.246651 BFGS: 1294 17:43:51 0.606251 0.246368 BFGS: 1295 17:43:51 0.598893 0.246080 BFGS: 1296 17:43:51 0.591589 0.245786 BFGS: 1297 17:43:51 0.584341 0.245486 BFGS: 1298 17:43:51 0.577148 0.245180 BFGS: 1299 17:43:51 0.570009 0.244868 BFGS: 1300 17:43:51 0.562925 0.244549 BFGS: 1301 17:43:51 0.555895 0.244225 BFGS: 1302 17:43:52 0.548920 0.243895 BFGS: 1303 17:43:52 0.541999 0.243559 BFGS: 1304 17:43:52 0.535133 0.243216 BFGS: 1305 17:43:52 0.528320 0.242868 BFGS: 1306 17:43:52 0.521561 0.242513 BFGS: 1307 17:43:52 0.514855 0.242152 BFGS: 1308 17:43:52 0.508203 0.241785 BFGS: 1309 17:43:52 0.501605 0.241412 BFGS: 1310 17:43:52 0.495059 0.241033 BFGS: 1311 17:43:52 0.488567 0.240647 BFGS: 1312 17:43:52 0.482128 0.240255 BFGS: 1313 17:43:52 0.475742 0.239857 BFGS: 1314 17:43:52 0.469408 0.239453 BFGS: 1315 17:43:52 0.463127 0.239042 BFGS: 1316 17:43:52 0.456899 0.238625 BFGS: 1317 17:43:52 0.450722 0.238201 BFGS: 1318 17:43:53 0.444598 0.237771 BFGS: 1319 17:43:53 0.438526 0.237335 BFGS: 1320 17:43:53 0.432502 0.236890 BFGS: 1321 17:43:53 0.426527 0.236436 BFGS: 1322 17:43:53 0.420602 0.235972 BFGS: 1323 17:43:53 0.414725 0.235498 BFGS: 1324 17:43:53 0.408897 0.235014 BFGS: 1325 17:43:53 0.403118 0.234521 BFGS: 1326 17:43:53 0.397388 0.234018 BFGS: 1327 17:43:53 0.391706 0.233505 BFGS: 1328 17:43:53 0.386072 0.232983 BFGS: 1329 17:43:53 0.380486 0.232451 BFGS: 1330 17:43:53 0.374948 0.231909 BFGS: 1331 17:43:53 0.369459 0.231358 BFGS: 1332 17:43:53 0.364016 0.230797 BFGS: 1333 17:43:53 0.358622 0.230226 BFGS: 1334 17:43:54 0.353275 0.229645 BFGS: 1335 17:43:54 0.347975 0.229055 BFGS: 1336 17:43:54 0.342723 0.228455 BFGS: 1337 17:43:54 0.337517 0.227845 BFGS: 1338 17:43:54 0.332359 0.227226 BFGS: 1339 17:43:54 0.327247 0.226597 BFGS: 1340 17:43:54 0.322182 0.225958 BFGS: 1341 17:43:54 0.317163 0.225310 BFGS: 1342 17:43:54 0.312191 0.224652 BFGS: 1343 17:43:54 0.307263 0.223984 BFGS: 1344 17:43:54 0.302376 0.223301 BFGS: 1345 17:43:54 0.297532 0.222603 BFGS: 1346 17:43:55 0.292729 0.221889 BFGS: 1347 17:43:55 0.287968 0.221161 BFGS: 1348 17:43:55 0.283248 0.220417 BFGS: 1349 17:43:55 0.278570 0.219658 BFGS: 1350 17:43:55 0.273934 0.218884 BFGS: 1351 17:43:55 0.269339 0.218095 BFGS: 1352 17:43:55 0.264784 0.217291 BFGS: 1353 17:43:55 0.260271 0.216472 BFGS: 1354 17:43:55 0.255799 0.215638 BFGS: 1355 17:43:55 0.251368 0.214790 BFGS: 1356 17:43:55 0.246978 0.213927 BFGS: 1357 17:43:55 0.242628 0.213050 BFGS: 1358 17:43:55 0.238319 0.212158 BFGS: 1359 17:43:55 0.234051 0.211251 BFGS: 1360 17:43:55 0.229823 0.210330 BFGS: 1361 17:43:56 0.225635 0.209395 BFGS: 1362 17:43:56 0.221488 0.208446 BFGS: 1363 17:43:56 0.217381 0.207482 BFGS: 1364 17:43:56 0.213314 0.206504 BFGS: 1365 17:43:56 0.209287 0.205512 BFGS: 1366 17:43:56 0.205300 0.204505 BFGS: 1367 17:43:56 0.201354 0.203485 BFGS: 1368 17:43:56 0.197447 0.202451 BFGS: 1369 17:43:56 0.193579 0.201403 BFGS: 1370 17:43:56 0.189752 0.200341 BFGS: 1371 17:43:56 0.185964 0.199265 BFGS: 1372 17:43:56 0.182216 0.198176 BFGS: 1373 17:43:56 0.178507 0.197072 BFGS: 1374 17:43:56 0.174838 0.195956 BFGS: 1375 17:43:56 0.171208 0.194825 BFGS: 1376 17:43:57 0.167618 0.193681 BFGS: 1377 17:43:57 0.164067 0.192523 BFGS: 1378 17:43:57 0.160555 0.191352 BFGS: 1379 17:43:57 0.157082 0.190168 BFGS: 1380 17:43:57 0.153649 0.188970 BFGS: 1381 17:43:57 0.150255 0.187759 BFGS: 1382 17:43:57 0.146899 0.186534 BFGS: 1383 17:43:57 0.143583 0.185297 BFGS: 1384 17:43:57 0.140306 0.184046 BFGS: 1385 17:43:57 0.137067 0.182782 BFGS: 1386 17:43:57 0.133868 0.181505 BFGS: 1387 17:43:57 0.130707 0.180214 BFGS: 1388 17:43:57 0.127585 0.178911 BFGS: 1389 17:43:57 0.124502 0.177595 BFGS: 1390 17:43:58 0.121457 0.176266 BFGS: 1391 17:43:58 0.118451 0.174924 BFGS: 1392 17:43:58 0.115484 0.173569 BFGS: 1393 17:43:58 0.112555 0.172201 BFGS: 1394 17:43:58 0.109665 0.170820 BFGS: 1395 17:43:58 0.106814 0.169427 BFGS: 1396 17:43:58 0.104000 0.168021 BFGS: 1397 17:43:58 0.101226 0.166602 BFGS: 1398 17:43:58 0.098489 0.165171 BFGS: 1399 17:43:58 0.095791 0.163727 BFGS: 1400 17:43:58 0.093132 0.162270 BFGS: 1401 17:43:58 0.090510 0.160801 BFGS: 1402 17:43:58 0.087927 0.159319 BFGS: 1403 17:43:58 0.085383 0.157825 BFGS: 1404 17:43:58 0.082876 0.156318 BFGS: 1405 17:43:58 0.080408 0.154799 BFGS: 1406 17:43:59 0.077977 0.153268 BFGS: 1407 17:43:59 0.075585 0.151724 BFGS: 1408 17:43:59 0.073231 0.150168 BFGS: 1409 17:43:59 0.070916 0.148599 BFGS: 1410 17:43:59 0.068638 0.147019 BFGS: 1411 17:43:59 0.066398 0.145425 BFGS: 1412 17:43:59 0.064196 0.143820 BFGS: 1413 17:43:59 0.062033 0.142203 BFGS: 1414 17:43:59 0.059907 0.140573 BFGS: 1415 17:43:59 0.057819 0.138931 BFGS: 1416 17:43:59 0.055769 0.137277 BFGS: 1417 17:43:59 0.053757 0.135611 BFGS: 1418 17:43:59 0.051783 0.133933 BFGS: 1419 17:43:59 0.049847 0.132243 BFGS: 1420 17:43:59 0.047949 0.130540 BFGS: 1421 17:44:00 0.046088 0.128826 BFGS: 1422 17:44:00 0.044266 0.127100 BFGS: 1423 17:44:00 0.042481 0.125361 BFGS: 1424 17:44:00 0.040734 0.123611 BFGS: 1425 17:44:00 0.039024 0.121849 BFGS: 1426 17:44:00 0.037353 0.120075 BFGS: 1427 17:44:00 0.035719 0.118289 BFGS: 1428 17:44:00 0.034123 0.116491 BFGS: 1429 17:44:00 0.032565 0.114682 BFGS: 1430 17:44:00 0.031044 0.112861 BFGS: 1431 17:44:00 0.029562 0.111027 BFGS: 1432 17:44:00 0.028116 0.109183 BFGS: 1433 17:44:00 0.026709 0.107326 BFGS: 1434 17:44:00 0.025339 0.105458 BFGS: 1435 17:44:00 0.024007 0.103578 BFGS: 1436 17:44:00 0.022713 0.101687 BFGS: 1437 17:44:01 0.021456 0.099784 BFGS: 1438 17:44:01 0.020237 0.097869 BFGS: 1439 17:44:01 0.019055 0.095943 BFGS: 1440 17:44:01 0.017911 0.093875 BFGS: 1441 17:44:01 0.016804 0.091349 BFGS: 1442 17:44:01 0.015733 0.088833 BFGS: 1443 17:44:01 0.014700 0.086329 BFGS: 1444 17:44:01 0.013703 0.083837 BFGS: 1445 17:44:01 0.012744 0.081359 BFGS: 1446 17:44:01 0.011821 0.078895 BFGS: 1447 17:44:01 0.010934 0.076448 BFGS: 1448 17:44:01 0.010085 0.074018 BFGS: 1449 17:44:01 0.009272 0.071609 BFGS: 1450 17:44:01 0.008496 0.069220 BFGS: 1451 17:44:01 0.007756 0.066856 BFGS: 1452 17:44:01 0.007053 0.064518 BFGS: 1453 17:44:01 0.006386 0.062209 BFGS: 1454 17:44:02 0.005756 0.059933 BFGS: 1455 17:44:02 0.005161 0.057692 BFGS: 1456 17:44:02 0.004603 0.055491 BFGS: 1457 17:44:02 0.004081 0.053334 BFGS: 1458 17:44:02 0.003596 0.051227 BFGS: 1459 17:44:02 0.003146 0.049175 BFGS: 1460 17:44:02 0.002731 0.047184 BFGS: 1461 17:44:02 0.002353 0.045262 BFGS: 1462 17:44:02 0.002010 0.043415 BFGS: 1463 17:44:02 0.001703 0.041653 BFGS: 1464 17:44:02 0.001431 0.039983 BFGS: 1465 17:44:02 0.001193 0.037798 BFGS: 1466 17:44:02 0.000979 0.034215 BFGS: 1467 17:44:02 0.000786 0.030637 BFGS: 1468 17:44:02 0.000614 0.027064 BFGS: 1469 17:44:02 0.000464 0.023497 BFGS: 1470 17:44:02 0.000334 0.019934 BFGS: 1471 17:44:03 0.000226 0.016377 BFGS: 1472 17:44:03 0.000139 0.012825 BFGS: 1473 17:44:03 0.000073 0.009278 BFGS: 1474 17:44:03 0.000028 0.005736 BFGS: 1475 17:44:03 0.000004 0.002200 BFGS: 1476 17:44:03 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 6.84369861e-34] [8.30868004e-01 9.09761710e-01 2.19353927e-34] [8.30868004e-01 9.02382901e-02 0.00000000e+00] [1.69131996e-01 9.09761710e-01 0.00000000e+00] [6.69131996e-01 5.90238290e-01 7.08293386e-34] [3.30868004e-01 4.09761710e-01 1.96391425e-34] [3.30868004e-01 5.90238290e-01 0.00000000e+00] [6.69131996e-01 4.09761710e-01 0.00000000e+00] [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([[23.60632390885854, 1.8947376526397242e-33, 0.0], [3.402746155223302e-33, 44.42863145043284, 0.0], [0.0, 0.0, 9.093884061220308]]) 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