element(s): ['C'] AFLOW prototype label: A_hR10_166_5c Parameter names: ['a', 'c/a', 'x1', 'x2', 'x3', 'x4', 'x5'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.520284', '12.343259', '0.02482583', '0.10867917', '0.15836583', '0.37486231', '0.42531454'] model name: MEAM_LAMMPS_Wagner_2007_SiC__MO_430846853065_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C', 'C', 'C', 'C'] representative atom coordinates = [[0. 0. 0.52482583] [0. 0. 0.60867917] [0. 0. 0.65836583] [0. 0. 0.87486231] [0. 0. 0.92531454]] spacegroup = 166 cell = [[2.5203, 0, 0], [-1.26015, 2.1826438251579, 0], [0, 0, 31.1085]] ========================================= Step Time Energy fmax BFGS: 0 04:05:54 -220.948162 2.218114 BFGS: 1 04:05:54 -219.754439 9.000377 BFGS: 2 04:05:54 -221.004558 1.921404 BFGS: 3 04:05:55 -220.657836 4.651226 BFGS: 4 04:05:55 -221.070687 0.741062 BFGS: 5 04:05:55 -220.930962 2.841071 BFGS: 6 04:05:55 -221.089631 0.106265 BFGS: 7 04:05:56 -221.092967 0.079572 BFGS: 8 04:05:56 -221.097228 0.183525 BFGS: 9 04:05:56 -221.101151 0.080302 BFGS: 10 04:05:56 -221.105498 0.088445 BFGS: 11 04:05:57 -221.109263 0.101990 BFGS: 12 04:05:57 -221.113291 0.132914 BFGS: 13 04:05:57 -221.118160 0.182939 BFGS: 14 04:05:57 -221.124734 0.245873 BFGS: 15 04:05:58 -221.136061 0.362182 BFGS: 16 04:05:58 -221.153301 0.509453 BFGS: 17 04:05:58 -221.202054 0.672541 BFGS: 18 04:05:58 -221.269966 0.846551 BFGS: 19 04:05:59 -221.360865 1.035957 BFGS: 20 04:05:59 -221.479693 1.239998 BFGS: 21 04:05:59 -221.632686 1.457439 BFGS: 22 04:06:00 -221.828020 1.686662 BFGS: 23 04:06:00 -222.076996 1.924803 BFGS: 24 04:06:00 -222.396217 2.166629 BFGS: 25 04:06:00 -222.811952 2.402804 BFGS: 26 04:06:01 -223.370105 2.616473 BFGS: 27 04:06:01 -224.162145 2.774944 BFGS: 28 04:06:01 -225.402539 2.804441 BFGS: 29 04:06:01 -227.169283 3.725056 BFGS: 30 04:06:02 -229.296612 4.843443 BFGS: 31 04:06:02 -231.790736 5.981412 BFGS: 32 04:06:02 -234.791781 7.182102 BFGS: 33 04:06:02 -238.362923 8.487930 BFGS: 34 04:06:03 -242.638958 9.944336 BFGS: 35 04:06:03 -247.791040 11.588470 BFGS: 36 04:06:03 -254.169425 13.477021 BFGS: 37 04:06:03 -262.377258 15.663885 BFGS: 38 04:06:03 -274.021450 18.247213 BFGS: 39 04:06:04 -288.886600 21.579260 BFGS: 40 04:06:04 -306.519375 25.018253 BFGS: 41 04:06:04 -319.906133 26.835049 BFGS: 42 04:06:04 -326.713971 29.018010 BFGS: 43 04:06:05 -333.245438 30.386995 BFGS: 44 04:06:05 -342.494585 30.028662 BFGS: 45 04:06:05 -355.535911 25.775684 BFGS: 46 04:06:05 -361.281399 24.748833 BFGS: 47 04:06:06 -365.833630 24.013675 BFGS: 48 04:06:06 -369.849416 23.104069 BFGS: 49 04:06:06 -373.483843 21.973384 BFGS: 50 04:06:06 -376.795181 20.632486 BFGS: 51 04:06:07 -379.822467 19.122727 BFGS: 52 04:06:07 -382.597431 17.469120 BFGS: 53 04:06:07 -385.148114 15.713317 BFGS: 54 04:06:08 -387.499383 14.166016 BFGS: 55 04:06:08 -389.674343 14.711034 BFGS: 56 04:06:08 -391.693231 15.226699 BFGS: 57 04:06:08 -393.575990 15.718034 BFGS: 58 04:06:09 -395.338372 16.179815 BFGS: 59 04:06:09 -396.999187 16.621431 BFGS: 60 04:06:09 -398.567730 17.031763 BFGS: 61 04:06:09 -400.065328 17.427811 BFGS: 62 04:06:10 -401.492706 17.792347 BFGS: 63 04:06:10 -402.873201 18.142448 BFGS: 64 04:06:10 -404.208000 18.467596 BFGS: 65 04:06:10 -405.513087 18.774444 BFGS: 66 04:06:11 -406.792589 19.061188 BFGS: 67 04:06:11 -408.056622 19.329863 BFGS: 68 04:06:11 -409.310160 19.580844 BFGS: 69 04:06:11 -410.560305 19.815173 BFGS: 70 04:06:12 -411.811553 20.033590 BFGS: 71 04:06:12 -413.069046 20.236938 BFGS: 72 04:06:12 -414.336338 20.425988 BFGS: 73 04:06:13 -415.617052 20.601545 BFGS: 74 04:06:13 -416.913684 20.764364 BFGS: 75 04:06:13 -418.228573 21.326877 BFGS: 76 04:06:13 -419.563191 22.603841 BFGS: 77 04:06:14 -420.918781 23.862588 BFGS: 78 04:06:14 -422.295898 25.110943 BFGS: 79 04:06:14 -423.694869 26.350376 BFGS: 80 04:06:14 -425.115480 27.588117 BFGS: 81 04:06:15 -426.557334 28.825043 BFGS: 82 04:06:15 -428.019610 30.067976 BFGS: 83 04:06:15 -429.501381 31.316484 BFGS: 84 04:06:16 -431.001391 32.577326 BFGS: 85 04:06:16 -432.518375 33.847973 BFGS: 86 04:06:16 -434.050806 35.136047 BFGS: 87 04:06:16 -435.597247 36.435478 BFGS: 88 04:06:17 -437.156021 37.757059 BFGS: 89 04:06:17 -438.725660 39.087684 BFGS: 90 04:06:17 -440.304403 40.447310 BFGS: 91 04:06:17 -441.890877 41.805957 BFGS: 92 04:06:18 -443.483240 43.210248 BFGS: 93 04:06:18 -445.080371 44.582298 BFGS: 94 04:06:18 -446.680243 46.052959 BFGS: 95 04:06:19 -448.282238 47.388936 BFGS: 96 04:06:19 -449.883830 49.005777 BFGS: 97 04:06:19 -451.485091 50.175432 BFGS: 98 04:06:19 -453.083091 52.034831 BFGS: 99 04:06:20 -454.677845 53.162593 BFGS: 100 04:06:20 -456.267891 54.895990 BFGS: 101 04:06:20 -457.852359 56.228823 BFGS: 102 04:06:20 -459.431524 57.822303 BFGS: 103 04:06:21 -461.004013 59.248940 BFGS: 104 04:06:21 -462.570122 60.787547 BFGS: 105 04:06:21 -464.128713 62.241141 BFGS: 106 04:06:21 -465.680117 63.750681 BFGS: 107 04:06:22 -467.223503 65.203026 BFGS: 108 04:06:22 -468.759320 66.687222 BFGS: 109 04:06:22 -470.286937 68.122669 BFGS: 110 04:06:22 -471.806992 69.578662 BFGS: 111 04:06:23 -473.318943 70.985623 BFGS: 112 04:06:23 -474.823679 72.409336 BFGS: 113 04:06:23 -476.324067 73.864790 BFGS: 114 04:06:23 -477.860855 75.746978 BFGS: 115 04:06:24 -479.914736 77.988786 BFGS: 116 04:06:24 -483.075332 82.234258 BFGS: 117 04:06:24 -488.394593 95.777469 BFGS: 118 04:06:25 -496.469059 120.603272 BFGS: 119 04:06:25 -508.550622 142.369069 BFGS: 120 04:06:25 -525.127646 155.383798 BFGS: 121 04:06:25 -543.222729 158.662751 BFGS: 122 04:06:26 -563.471786 159.049083 BFGS: 123 04:06:26 -592.527626 159.333934 BFGS: 124 04:06:26 -609.067019 152.885552 BFGS: 125 04:06:26 -618.394101 147.292726 BFGS: 126 04:06:27 -626.301289 142.655624 BFGS: 127 04:06:27 -633.493853 138.605070 BFGS: 128 04:06:27 -640.232102 134.964129 BFGS: 129 04:06:27 -646.650302 131.644965 BFGS: 130 04:06:28 -652.831934 128.601971 BFGS: 131 04:06:28 -658.810188 126.745396 BFGS: 132 04:06:28 -663.907708 132.528245 BFGS: 133 04:06:29 -668.406323 134.174022 BFGS: 134 04:06:29 -672.814195 133.293552 BFGS: 135 04:06:29 -677.095077 132.348129 BFGS: 136 04:06:29 -681.305519 131.606627 BFGS: 137 04:06:30 -685.503359 131.052185 BFGS: 138 04:06:30 -689.734753 130.664482 BFGS: 139 04:06:30 -694.034440 130.413570 BFGS: 140 04:06:31 -698.423123 130.253975 BFGS: 141 04:06:31 -702.905507 130.151912 BFGS: 142 04:06:31 -707.477023 130.100990 BFGS: 143 04:06:31 -712.127277 130.089471 BFGS: 144 04:06:32 -716.834084 130.100283 BFGS: 145 04:06:32 -721.558735 130.110322 BFGS: 146 04:06:32 -726.242589 130.091094 BFGS: 147 04:06:32 -730.807241 130.011138 BFGS: 148 04:06:33 -735.160932 129.840257 BFGS: 149 04:06:33 -739.212362 129.554940 BFGS: 150 04:06:33 -742.889010 129.143079 BFGS: 151 04:06:34 -746.152492 128.605849 BFGS: 152 04:06:34 -749.003441 127.955906 BFGS: 153 04:06:34 -751.474274 127.212983 BFGS: 154 04:06:35 -753.615342 126.399056 BFGS: 155 04:06:35 -755.481707 125.534779 BFGS: 156 04:06:35 -757.124541 124.637648 BFGS: 157 04:06:35 -758.587341 123.721528 BFGS: 158 04:06:36 -759.905295 122.796930 BFGS: 159 04:06:36 -761.106174 121.871578 BFGS: 160 04:06:36 -762.211689 120.951018 BFGS: 161 04:06:36 -763.238812 120.039147 BFGS: 162 04:06:37 -764.200884 119.138638 BFGS: 163 04:06:37 -765.108481 118.251269 BFGS: 164 04:06:37 -765.970068 117.378168 BFGS: 165 04:06:37 -766.792495 116.519985 BFGS: 166 04:06:38 -767.581359 115.677057 BFGS: 167 04:06:38 -768.341280 114.849484 BFGS: 168 04:06:38 -769.076110 114.037204 BFGS: 169 04:06:38 -769.789085 113.240043 BFGS: 170 04:06:39 -770.482954 112.457751 BFGS: 171 04:06:39 -771.160063 111.690027 BFGS: 172 04:06:39 -771.822434 110.936546 BFGS: 173 04:06:39 -772.471823 110.196959 BFGS: 174 04:06:39 -773.109760 109.470911 BFGS: 175 04:06:40 -773.737590 108.758049 BFGS: 176 04:06:40 -774.356505 108.058018 BFGS: 177 04:06:40 -774.967562 107.370469 BFGS: 178 04:06:40 -775.571706 106.695065 BFGS: 179 04:06:41 -776.169787 106.031472 BFGS: 180 04:06:41 -776.762570 105.379366 BFGS: 181 04:06:41 -777.350753 104.738436 BFGS: 182 04:06:42 -777.934966 104.108374 BFGS: 183 04:06:42 -778.515790 103.488878 BFGS: 184 04:06:42 -779.093757 102.879662 BFGS: 185 04:06:42 -779.669357 102.280451 BFGS: 186 04:06:43 -780.243044 101.690977 BFGS: 187 04:06:43 -780.815239 101.110982 BFGS: 188 04:06:43 -781.386334 100.540215 BFGS: 189 04:06:43 -781.956698 99.978432 BFGS: 190 04:06:44 -782.526672 99.425399 BFGS: 191 04:06:44 -783.096582 98.880887 BFGS: 192 04:06:44 -783.666731 98.344678 BFGS: 193 04:06:44 -784.237408 97.816557 BFGS: 194 04:06:45 -784.808885 97.296321 BFGS: 195 04:06:45 -785.381421 96.783773 BFGS: 196 04:06:45 -785.955262 96.278722 BFGS: 197 04:06:45 -786.530642 95.780986 BFGS: 198 04:06:46 -787.107785 95.290393 BFGS: 199 04:06:46 -787.686904 94.806779 BFGS: 200 04:06:46 -788.268206 94.330035 BFGS: 201 04:06:46 -788.851892 93.860159 BFGS: 202 04:06:47 -789.438171 93.397241 BFGS: 203 04:06:47 -790.027253 92.941416 BFGS: 204 04:06:47 -790.619356 92.492824 BFGS: 205 04:06:47 -791.214699 92.051576 BFGS: 206 04:06:48 -791.813495 91.617741 BFGS: 207 04:06:48 -792.415936 91.191357 BFGS: 208 04:06:48 -793.022164 90.772504 BFGS: 209 04:06:48 -793.632161 90.361634 BFGS: 210 04:06:49 -794.253691 89.933317 BFGS: 211 04:06:49 -794.897231 89.278273 BFGS: 212 04:06:49 -795.651974 84.506823 BFGS: 213 04:06:49 -796.338055 84.412097 BFGS: 214 04:06:50 -797.080876 83.857954 BFGS: 215 04:06:50 -797.887119 83.148563 BFGS: 216 04:06:50 -798.760252 82.332284 BFGS: 217 04:06:50 -799.686520 81.431497 BFGS: 218 04:06:51 -800.617717 80.516208 BFGS: 219 04:06:51 -801.522025 79.678788 BFGS: 220 04:06:51 -802.382698 78.957981 BFGS: 221 04:06:51 -803.200341 78.350248 BFGS: 222 04:06:52 -803.983254 77.833541 BFGS: 223 04:06:52 -804.740280 77.385088 BFGS: 224 04:06:52 -805.478513 76.987338 BFGS: 225 04:06:52 -806.203210 76.628030 BFGS: 226 04:06:53 -806.918220 76.298828 BFGS: 227 04:06:53 -807.626389 75.994043 BFGS: 228 04:06:53 -808.329864 75.709707 BFGS: 229 04:06:53 -809.030297 75.442978 BFGS: 230 04:06:54 -809.728987 75.191759 BFGS: 231 04:06:54 -810.426969 74.954460 BFGS: 232 04:06:54 -811.125083 74.729849 BFGS: 233 04:06:54 -811.824021 74.516962 BFGS: 234 04:06:54 -812.524356 74.315034 BFGS: 235 04:06:55 -813.226566 74.123463 BFGS: 236 04:06:55 -813.931053 73.941774 BFGS: 237 04:06:55 -814.638155 73.769601 BFGS: 238 04:06:55 -815.348154 73.606666 BFGS: 239 04:06:56 -816.061287 73.452768 BFGS: 240 04:06:56 -816.777753 73.307764 BFGS: 241 04:06:56 -817.497717 73.171562 BFGS: 242 04:06:56 -818.221316 73.044109 BFGS: 243 04:06:57 -818.948666 72.925379 BFGS: 244 04:06:57 -819.679862 72.815369 BFGS: 245 04:06:57 -820.414990 72.714084 BFGS: 246 04:06:57 -821.154109 72.541284 BFGS: 247 04:06:58 -821.896800 72.350950 BFGS: 248 04:06:58 -822.642735 72.153728 BFGS: 249 04:06:58 -823.391631 71.949262 BFGS: 250 04:06:58 -824.143237 71.737129 BFGS: 251 04:06:59 -824.897322 71.516847 BFGS: 252 04:06:59 -825.653668 71.287874 BFGS: 253 04:06:59 -826.412070 71.049613 BFGS: 254 04:06:59 -827.172325 70.801392 BFGS: 255 04:06:59 -827.934231 70.542458 BFGS: 256 04:07:00 -828.697578 70.271956 BFGS: 257 04:07:00 -829.462140 69.988910 BFGS: 258 04:07:00 -830.227663 69.692200 BFGS: 259 04:07:00 -830.993855 69.380530 BFGS: 260 04:07:01 -831.760362 69.052386 BFGS: 261 04:07:01 -832.526747 68.705991 BFGS: 262 04:07:01 -833.292439 68.339293 BFGS: 263 04:07:01 -834.056684 67.949954 BFGS: 264 04:07:02 -834.818453 67.535421 BFGS: 265 04:07:02 -835.576329 67.093136 BFGS: 266 04:07:02 -836.328336 66.621041 BFGS: 267 04:07:02 -837.071745 66.118685 BFGS: 268 04:07:03 -837.802911 65.589422 BFGS: 269 04:07:03 -838.517411 65.052769 BFGS: 270 04:07:03 -839.211146 66.911026 BFGS: 271 04:07:03 -839.883217 68.622451 BFGS: 272 04:07:04 -840.539090 70.011052 BFGS: 273 04:07:04 -841.187818 70.938718 BFGS: 274 04:07:04 -841.834724 71.403631 BFGS: 275 04:07:04 -842.481108 71.589486 BFGS: 276 04:07:05 -843.149367 71.725386 BFGS: 277 04:07:05 -843.849260 71.849457 BFGS: 278 04:07:05 -844.583270 71.963037 BFGS: 279 04:07:05 -845.354479 72.066400 BFGS: 280 04:07:06 -846.166396 72.159091 BFGS: 281 04:07:06 -847.022814 72.240195 BFGS: 282 04:07:06 -847.927669 72.308548 BFGS: 283 04:07:06 -848.884934 72.362869 BFGS: 284 04:07:07 -849.898542 72.401866 BFGS: 285 04:07:07 -850.972331 72.424316 BFGS: 286 04:07:07 -852.110003 72.429126 BFGS: 287 04:07:07 -853.315101 72.415343 BFGS: 288 04:07:07 -854.590992 72.382173 BFGS: 289 04:07:08 -855.940853 72.328995 BFGS: 290 04:07:08 -857.367661 72.255369 BFGS: 291 04:07:08 -858.874177 72.161019 BFGS: 292 04:07:08 -860.462943 72.045831 BFGS: 293 04:07:09 -862.136267 71.909852 BFGS: 294 04:07:09 -863.896219 71.753287 BFGS: 295 04:07:09 -865.744621 71.576468 BFGS: 296 04:07:09 -867.683043 71.379858 BFGS: 297 04:07:10 -869.712802 71.164038 BFGS: 298 04:07:10 -871.834959 70.929699 BFGS: 299 04:07:10 -874.050325 70.677605 BFGS: 300 04:07:10 -876.359464 70.408593 BFGS: 301 04:07:11 -878.762708 70.123564 BFGS: 302 04:07:11 -881.260165 69.823451 BFGS: 303 04:07:11 -883.851733 69.509196 BFGS: 304 04:07:11 -886.537123 69.181733 BFGS: 305 04:07:12 -889.315868 68.841998 BFGS: 306 04:07:12 -892.187343 68.490876 BFGS: 307 04:07:12 -895.150782 68.129198 BFGS: 308 04:07:12 -898.205293 67.757747 BFGS: 309 04:07:13 -901.349865 67.377187 BFGS: 310 04:07:13 -904.583379 66.988090 BFGS: 311 04:07:13 -907.904607 66.590965 BFGS: 312 04:07:13 -911.312216 66.186200 BFGS: 313 04:07:14 -914.804752 65.774050 BFGS: 314 04:07:14 -918.380634 65.354686 BFGS: 315 04:07:14 -922.038133 64.928165 BFGS: 316 04:07:14 -925.775347 64.494390 BFGS: 317 04:07:15 -929.590174 64.053198 BFGS: 318 04:07:15 -933.480276 63.604334 BFGS: 319 04:07:15 -937.443050 63.147399 BFGS: 320 04:07:15 -941.475593 62.681965 BFGS: 321 04:07:16 -945.574659 62.207589 BFGS: 322 04:07:16 -949.736642 61.723768 BFGS: 323 04:07:16 -953.957547 61.230068 BFGS: 324 04:07:16 -958.232980 60.726088 BFGS: 325 04:07:17 -962.558149 60.211482 BFGS: 326 04:07:17 -966.927872 59.686095 BFGS: 327 04:07:17 -971.336623 59.149894 BFGS: 328 04:07:17 -975.778604 58.603062 BFGS: 329 04:07:18 -980.247850 58.046071 BFGS: 330 04:07:18 -984.738563 57.479698 BFGS: 331 04:07:18 -989.247782 56.906733 BFGS: 332 04:07:18 -993.770149 56.320185 BFGS: 333 04:07:19 -998.300798 55.731418 BFGS: 334 04:07:19 -1002.842422 55.117772 BFGS: 335 04:07:19 -1007.385003 54.518336 BFGS: 336 04:07:20 -1011.939964 53.862712 BFGS: 337 04:07:20 -1016.485712 53.258108 BFGS: 338 04:07:20 -1021.044090 52.566849 BFGS: 339 04:07:20 -1025.591191 52.487420 BFGS: 340 04:07:21 -1030.143005 52.547124 BFGS: 341 04:07:21 -1034.685848 52.543748 BFGS: 342 04:07:21 -1039.226119 52.557168 BFGS: 343 04:07:21 -1043.756749 52.532118 BFGS: 344 04:07:22 -1048.279763 52.507756 BFGS: 345 04:07:22 -1052.790850 52.455192 BFGS: 346 04:07:22 -1057.290292 52.396396 BFGS: 347 04:07:23 -1061.774956 52.313895 BFGS: 348 04:07:23 -1066.244381 52.221966 BFGS: 349 04:07:23 -1070.695974 52.108331 BFGS: 350 04:07:23 -1075.128937 51.983689 BFGS: 351 04:07:24 -1079.540931 51.837748 BFGS: 352 04:07:24 -1083.931068 51.679198 BFGS: 353 04:07:24 -1088.297335 51.498704 BFGS: 354 04:07:25 -1092.639022 51.304618 BFGS: 355 04:07:25 -1096.954351 51.087242 BFGS: 356 04:07:25 -1101.242817 50.855924 BFGS: 357 04:07:25 -1105.502708 50.599121 BFGS: 358 04:07:26 -1109.733749 50.328982 BFGS: 359 04:07:26 -1113.934081 50.029717 BFGS: 360 04:07:26 -1118.103760 49.719674 BFGS: 361 04:07:26 -1122.240435 49.373785 BFGS: 362 04:07:27 -1126.344793 49.024173 BFGS: 363 04:07:27 -1130.413337 48.624763 BFGS: 364 04:07:27 -1134.448182 48.239917 BFGS: 365 04:07:28 -1138.443199 47.772935 BFGS: 366 04:07:28 -1142.403969 47.367585 BFGS: 367 04:07:28 -1146.318332 46.804642 BFGS: 368 04:07:28 -1150.199244 46.402685 BFGS: 369 04:07:29 -1154.025242 45.732200 BFGS: 370 04:07:29 -1157.816377 45.289740 BFGS: 371 04:07:29 -1161.549705 44.588271 BFGS: 372 04:07:30 -1165.240212 44.032967 BFGS: 373 04:07:30 -1168.873179 43.314957 BFGS: 374 04:07:30 -1172.454859 42.656177 BFGS: 375 04:07:30 -1175.976172 41.892314 BFGS: 376 04:07:31 -1179.438487 41.143214 BFGS: 377 04:07:31 -1182.835076 40.312973 BFGS: 378 04:07:31 -1186.164928 39.475160 BFGS: 379 04:07:32 -1189.422125 38.564383 BFGS: 380 04:07:32 -1192.604351 37.633326 BFGS: 381 04:07:32 -1195.705854 36.629615 BFGS: 382 04:07:32 -1198.723555 35.597473 BFGS: 383 04:07:33 -1201.651664 36.131778 BFGS: 384 04:07:33 -1204.486760 37.738607 BFGS: 385 04:07:33 -1207.651952 73.711318 BFGS: 386 04:07:34 -1210.709522 98.516161 BFGS: 387 04:07:34 -1213.833489 125.160953 BFGS: 388 04:07:34 -1216.920703 149.382266 BFGS: 389 04:07:34 -1219.928617 170.970197 BFGS: 390 04:07:35 -1222.841235 190.189607 BFGS: 391 04:07:35 -1225.640376 207.490617 BFGS: 392 04:07:35 -1228.336792 223.282912 BFGS: 393 04:07:36 -1230.928005 238.160114 BFGS: 394 04:07:36 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04:09:32 -1626.642684 15.684329 BFGS: 751 04:09:32 -1626.901489 12.813387 BFGS: 752 04:09:33 -1627.128997 13.223462 BFGS: 753 04:09:33 -1627.352274 13.282411 BFGS: 754 04:09:33 -1627.573444 13.812811 BFGS: 755 04:09:34 -1627.792811 13.504331 BFGS: 756 04:09:34 -1628.010988 13.719271 BFGS: 757 04:09:34 -1628.226539 15.290127 BFGS: 758 04:09:34 -1628.445250 14.442909 BFGS: 759 04:09:35 -1628.660400 14.804395 BFGS: 760 04:09:35 -1618.441209 301.295593 BFGS: 761 04:09:35 -1629.085646 15.542091 BFGS: 762 04:09:36 -1629.298704 16.343965 BFGS: 763 04:09:36 -1629.509590 17.204517 BFGS: 764 04:09:36 -1629.718213 17.148543 BFGS: 765 04:09:37 -1629.929035 17.363729 BFGS: 766 04:09:37 -1630.148372 16.984116 BFGS: 767 04:09:37 -1630.377134 16.106569 BFGS: 768 04:09:38 -1630.637716 16.276024 BFGS: 769 04:09:38 -1630.915927 19.547304 BFGS: 770 04:09:38 -1631.191959 28.197022 BFGS: 771 04:09:38 -1631.425469 33.959053 BFGS: 772 04:09:39 -1631.640916 36.584048 BFGS: 773 04:09:39 -1631.849569 39.740611 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04:47:52 -1754.757554 100.433882 BFGS: 8602 04:47:53 -1754.751182 103.045817 BFGS: 8603 04:47:53 -1754.746532 100.413031 BFGS: 8604 04:47:53 -1754.741028 100.543068 BFGS: 8605 04:47:53 -1754.735521 100.754687 BFGS: 8606 04:47:54 -1754.730006 100.569660 BFGS: 8607 04:47:54 -1754.724491 100.518820 BFGS: 8608 04:47:54 -1754.718982 100.602309 BFGS: 8609 04:47:54 -1754.713466 101.042378 BFGS: 8610 04:47:55 -1754.707955 100.609264 BFGS: 8611 04:47:55 -1754.702443 100.647694 BFGS: 8612 04:47:55 -1754.696659 102.212895 BFGS: 8613 04:47:55 -1754.691412 100.635350 BFGS: 8614 04:47:56 -1754.685903 100.751118 BFGS: 8615 04:47:56 -1754.680390 101.005522 BFGS: 8616 04:47:56 -1754.674871 100.769794 BFGS: 8617 04:47:57 -1754.669352 100.746282 BFGS: 8618 04:47:57 -1754.663842 101.069207 BFGS: 8619 04:47:57 -1754.658322 100.845136 BFGS: 8620 04:47:57 -1754.652802 100.813231 BFGS: 8621 04:47:57 -1754.647291 101.029653 BFGS: 8622 04:47:58 -1754.641771 100.962106 BFGS: 8623 04:47:58 -1754.634673 102.505437 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-1749.043673 117.954853 BFGS: 9622 04:51:48 -1749.038053 117.879368 BFGS: 9623 04:51:48 -1748.965701 143.256553 BFGS: 9624 04:51:48 -1749.026823 117.928407 BFGS: 9625 04:51:49 -1749.021210 118.032528 BFGS: 9626 04:51:49 -1749.015598 118.488288 BFGS: 9627 04:51:49 -1749.009982 118.204615 BFGS: 9628 04:51:49 -1749.004370 118.164166 BFGS: 9629 04:51:50 -1748.998760 118.533981 BFGS: 9630 04:51:50 -1748.993144 118.357004 BFGS: 9631 04:51:50 -1748.987493 118.804368 BFGS: 9632 04:51:50 -1748.981912 118.260752 BFGS: 9633 04:51:51 -1748.976296 118.261335 BFGS: 9634 04:51:51 -1748.969154 124.308586 BFGS: 9635 04:51:51 -1748.965071 118.406485 BFGS: 9636 04:51:51 -1748.959462 118.587410 BFGS: 9637 04:51:52 -1748.953850 118.857694 BFGS: 9638 04:51:52 -1748.948234 118.605112 BFGS: 9639 04:51:52 -1748.942616 118.499493 BFGS: 9640 04:51:52 -1748.937002 118.522090 BFGS: 9641 04:51:53 -1748.883443 150.789765 BFGS: 9642 04:51:53 -1748.925773 118.510956 BFGS: 9643 04:51:53 -1748.920166 118.713033 BFGS: 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-1748.662113 119.469667 BFGS: 9690 04:52:04 -1748.656507 119.478939 BFGS: 9691 04:52:04 -1748.649018 125.953927 BFGS: 9692 04:52:05 -1748.645292 119.431480 BFGS: 9693 04:52:05 -1748.639692 119.619682 BFGS: 9694 04:52:05 -1748.634088 119.880739 BFGS: 9695 04:52:05 -1748.628480 119.639917 BFGS: 9696 04:52:06 -1748.622871 119.527609 BFGS: 9697 04:52:06 -1748.617265 119.521746 BFGS: 9698 04:52:06 -1748.611566 121.348699 BFGS: 9699 04:52:06 -1748.606057 119.589074 BFGS: 9700 04:52:06 -1748.600456 119.722660 BFGS: 9701 04:52:07 -1748.594851 120.210856 BFGS: 9702 04:52:07 -1748.589246 119.700998 BFGS: 9703 04:52:07 -1748.583642 119.719090 BFGS: 9704 04:52:07 -1747.772433 262.122729 BFGS: 9705 04:52:08 -1748.572429 119.610173 BFGS: 9706 04:52:08 -1748.566831 119.796716 BFGS: 9707 04:52:08 -1748.561231 120.182275 BFGS: 9708 04:52:08 -1748.555625 119.847608 BFGS: 9709 04:52:08 -1748.550020 119.791994 BFGS: 9710 04:52:09 -1748.544422 120.140343 BFGS: 9711 04:52:09 -1748.538818 119.959699 BFGS: 9712 04:52:09 -1748.533207 119.994800 BFGS: 9713 04:52:09 -1748.527604 119.723440 BFGS: 9714 04:52:10 -1748.522000 119.701566 BFGS: 9715 04:52:10 -1748.516375 121.052945 BFGS: 9716 04:52:10 -1748.510803 119.927957 BFGS: 9717 04:52:10 -1748.505204 120.010604 BFGS: 9718 04:52:11 -1748.499592 120.780069 BFGS: 9719 04:52:11 -1748.493998 119.970309 BFGS: 9720 04:52:11 -1748.488399 120.043609 BFGS: 9721 04:52:11 -1748.482776 121.026739 BFGS: 9722 04:52:12 -1748.477195 120.014102 BFGS: 9723 04:52:12 -1748.471597 120.109399 BFGS: 9724 04:52:12 -1748.465990 120.797057 BFGS: 9725 04:52:12 -1748.460394 120.086607 BFGS: 9726 04:52:13 -1748.454795 120.142850 BFGS: 9727 04:52:13 -1748.449134 121.564674 BFGS: 9728 04:52:13 -1748.443593 120.105267 BFGS: 9729 04:52:13 -1748.437997 120.231786 BFGS: 9730 04:52:14 -1748.432398 120.700296 BFGS: 9731 04:52:14 -1748.426797 120.220580 BFGS: 9732 04:52:14 -1748.421197 120.222679 BFGS: 9733 04:52:14 -1748.415184 123.448045 BFGS: 9734 04:52:15 -1748.409997 120.191850 BFGS: 9735 04:52:15 -1748.404403 120.359569 BFGS: 9736 04:52:15 -1748.398806 120.667093 BFGS: 9737 04:52:16 -1748.393206 120.367073 BFGS: 9738 04:52:16 -1748.387605 120.292621 BFGS: 9739 04:52:16 -1748.382011 120.486283 BFGS: 9740 04:52:16 -1748.376415 120.660583 BFGS: 9741 04:52:17 -1748.370816 120.488556 BFGS: 9742 04:52:17 -1748.365220 120.720168 BFGS: 9743 04:52:17 -1748.359621 120.501878 BFGS: 9744 04:52:17 -1748.354019 120.372440 BFGS: 9745 04:52:18 -1748.348419 120.307445 BFGS: 9746 04:52:18 -1748.342832 120.681535 BFGS: 9747 04:52:18 -1748.337235 120.649656 BFGS: 9748 04:52:18 -1748.324716 130.751996 BFGS: 9749 04:52:18 -1748.326036 120.417184 BFGS: 9750 04:52:19 -1748.320443 120.550029 BFGS: 9751 04:52:19 -1748.314850 120.838113 BFGS: 9752 04:52:19 -1748.309252 120.590672 BFGS: 9753 04:52:19 -1748.303654 120.497557 BFGS: 9754 04:52:20 -1747.099919 245.522135 BFGS: 9755 04:52:20 -1748.290522 119.624546 BFGS: 9756 04:52:20 -1748.285386 119.376969 BFGS: 9757 04:52:20 -1748.279789 119.329063 BFGS: 9758 04:52:21 -1748.274160 119.266631 BFGS: 9759 04:52:21 -1748.268506 119.295011 BFGS: 9760 04:52:21 -1748.263170 119.516532 BFGS: 9761 04:52:21 -1748.257632 120.531574 BFGS: 9762 04:52:22 -1748.252050 120.677733 BFGS: 9763 04:52:22 -1748.246533 123.078856 BFGS: 9764 04:52:22 -1748.241142 121.852252 BFGS: 9765 04:52:22 -1748.235904 120.708754 BFGS: 9766 04:52:23 -1748.230792 119.868347 BFGS: 9767 04:52:23 -1748.225312 120.241389 BFGS: 9768 04:52:23 -1748.219754 120.863558 BFGS: 9769 04:52:23 -1748.214166 121.028861 BFGS: 9770 04:52:24 -1748.208575 121.193587 BFGS: 9771 04:52:24 -1748.202982 121.021314 BFGS: 9772 04:52:24 -1747.924431 121.603932 BFGS: 9773 04:52:24 -1748.191784 120.667944 BFGS: 9774 04:52:25 -1748.186180 120.495615 BFGS: 9775 04:52:25 -1748.180547 120.275083 BFGS: 9776 04:52:25 -1748.174962 120.150668 BFGS: 9777 04:52:25 -1748.169349 119.977835 BFGS: 9778 04:52:26 -1748.163732 119.803518 BFGS: 9779 04:52:26 -1748.158111 119.634344 BFGS: 9780 04:52:26 -1748.152488 119.491916 BFGS: 9781 04:52:26 -1748.146861 119.530258 BFGS: 9782 04:52:27 -1748.141231 119.568590 BFGS: 9783 04:52:27 -1748.135599 119.606813 BFGS: 9784 04:52:27 -1748.129962 119.644927 BFGS: 9785 04:52:28 -1748.124324 119.682136 BFGS: 9786 04:52:28 -1748.118692 119.711143 BFGS: 9787 04:52:28 -1748.113055 119.741798 BFGS: 9788 04:52:28 -1748.107456 119.726293 BFGS: 9789 04:52:28 -1748.101863 119.734282 BFGS: 9790 04:52:29 -1748.095830 125.146136 BFGS: 9791 04:52:29 -1748.091099 121.084294 BFGS: 9792 04:52:29 -1748.085563 121.118084 BFGS: 9793 04:52:29 -1748.080016 121.856433 BFGS: 9794 04:52:29 -1748.074431 121.405729 BFGS: 9795 04:52:30 -1748.068843 121.369883 BFGS: 9796 04:52:30 -1748.063254 122.040431 BFGS: 9797 04:52:30 -1748.057670 121.389500 BFGS: 9798 04:52:30 -1748.052084 121.427629 BFGS: 9799 04:52:31 -1748.046239 124.019144 BFGS: 9800 04:52:31 -1748.040910 121.378379 BFGS: 9801 04:52:31 -1748.035329 121.538367 BFGS: 9802 04:52:31 -1748.029745 121.866485 BFGS: 9803 04:52:32 -1748.024157 121.541614 BFGS: 9804 04:52:32 -1748.018570 121.481251 BFGS: 9805 04:52:32 -1748.012990 121.792549 BFGS: 9806 04:52:32 -1748.007405 121.679380 BFGS: 9807 04:52:33 -1748.001813 121.652265 BFGS: 9808 04:52:33 -1747.996228 121.436865 BFGS: 9809 04:52:33 -1747.990642 121.393094 BFGS: 9810 04:52:33 -1747.985068 122.083721 BFGS: 9811 04:52:34 -1747.979483 121.689875 BFGS: 9812 04:52:34 -1747.973899 121.648415 BFGS: 9813 04:52:34 -1747.966317 125.981314 BFGS: 9814 04:52:34 -1747.962252 120.132561 BFGS: 9815 04:52:35 -1747.957092 122.222339 BFGS: 9816 04:52:35 -1747.951521 121.766884 BFGS: 9817 04:52:35 -1747.945936 121.573019 BFGS: 9818 04:52:35 -1747.940347 121.413592 BFGS: 9819 04:52:35 -1747.934757 121.269470 BFGS: 9820 04:52:36 -1747.929170 121.204187 BFGS: 9821 04:52:36 -1747.923616 121.965656 BFGS: 9822 04:52:36 -1747.918034 121.785767 BFGS: 9823 04:52:36 -1747.912450 121.621656 BFGS: 9824 04:52:37 -1747.886221 127.767824 BFGS: 9825 04:52:37 -1747.901325 121.553052 BFGS: 9826 04:52:37 -1747.895731 121.378821 BFGS: 9827 04:52:37 -1747.890131 121.173688 BFGS: 9828 04:52:38 -1747.884536 121.031989 BFGS: 9829 04:52:38 -1747.878933 120.872680 BFGS: 9830 04:52:38 -1747.873339 120.799970 BFGS: 9831 04:52:38 -1747.865954 126.394696 BFGS: 9832 04:52:39 -1747.862209 121.338297 BFGS: 9833 04:52:39 -1747.856635 121.426932 BFGS: 9834 04:52:39 -1747.850827 124.880147 BFGS: 9835 04:52:39 -1747.845546 122.112713 BFGS: 9836 04:52:39 -1747.839975 122.187066 BFGS: 9837 04:52:40 -1747.834399 122.586106 BFGS: 9838 04:52:40 -1747.828820 122.163629 BFGS: 9839 04:52:40 -1747.823242 122.139534 BFGS: 9840 04:52:40 -1747.817631 123.353253 BFGS: 9841 04:52:41 -1747.812088 122.146609 BFGS: 9842 04:52:41 -1747.806513 122.253646 BFGS: 9843 04:52:41 -1747.800935 122.828627 BFGS: 9844 04:52:41 -1747.795359 122.231714 BFGS: 9845 04:52:42 -1747.789784 122.265245 BFGS: 9846 04:52:42 -1747.783776 125.536866 BFGS: 9847 04:52:42 -1747.778630 122.216809 BFGS: 9848 04:52:42 -1747.773059 122.384951 BFGS: 9849 04:52:42 -1747.767486 122.685206 BFGS: 9850 04:52:43 -1747.761909 122.392512 BFGS: 9851 04:52:43 -1747.756331 122.314688 BFGS: 9852 04:52:43 -1747.750761 122.483174 BFGS: 9853 04:52:44 -1747.745188 122.734027 BFGS: 9854 04:52:44 -1747.739612 122.476504 BFGS: 9855 04:52:44 -1747.734035 122.371099 BFGS: 9856 04:52:44 -1747.728461 122.400633 BFGS: 9857 04:52:45 -1747.720597 129.691518 BFGS: 9858 04:52:45 -1747.717314 122.398358 BFGS: 9859 04:52:45 -1747.711746 122.583727 BFGS: 9860 04:52:45 -1747.706175 122.838324 BFGS: 9861 04:52:46 -1747.700601 122.600547 BFGS: 9862 04:52:46 -1747.695025 122.486235 BFGS: 9863 04:52:46 -1747.689451 122.472468 BFGS: 9864 04:52:47 -1747.683821 124.048845 BFGS: 9865 04:52:47 -1747.678310 122.557860 BFGS: 9866 04:52:47 -1747.672742 122.673273 BFGS: 9867 04:52:47 -1747.667170 123.173079 BFGS: 9868 04:52:48 -1747.661598 122.651246 BFGS: 9869 04:52:48 -1747.656028 122.665909 BFGS: 9870 04:52:48 -1747.602652 155.094658 BFGS: 9871 04:52:48 -1747.644884 122.600106 BFGS: 9872 04:52:49 -1747.639319 122.796266 BFGS: 9873 04:52:49 -1747.633752 123.051402 BFGS: 9874 04:52:49 -1747.628180 122.826197 BFGS: 9875 04:52:49 -1747.622607 122.702965 BFGS: 9876 04:52:49 -1747.617035 122.656577 BFGS: 9877 04:52:50 -1747.611473 123.261507 BFGS: 9878 04:52:50 -1747.605904 122.868585 BFGS: 9879 04:52:50 -1747.600334 122.820793 BFGS: 9880 04:52:50 -1747.594769 123.276608 BFGS: 9881 04:52:50 -1747.589199 122.915574 BFGS: 9882 04:52:51 -1747.583630 122.860837 BFGS: 9883 04:52:51 -1747.578067 123.237511 BFGS: 9884 04:52:51 -1747.572498 123.001382 BFGS: 9885 04:52:51 -1747.566927 122.879532 BFGS: 9886 04:52:52 -1747.561100 123.559617 BFGS: 9887 04:52:52 -1747.555773 122.511762 BFGS: 9888 04:52:52 -1747.550205 122.532903 BFGS: 9889 04:52:52 -1747.544634 122.878585 BFGS: 9890 04:52:52 -1747.539061 122.513255 BFGS: 9891 04:52:53 -1747.533486 122.428651 BFGS: 9892 04:52:53 -1747.527926 122.966179 BFGS: 9893 04:52:53 -1747.522356 122.656523 BFGS: 9894 04:52:53 -1747.516787 122.534148 BFGS: 9895 04:52:53 -1747.463349 140.788235 BFGS: 9896 04:52:54 -1747.505416 121.278223 BFGS: 9897 04:52:54 -1747.499890 121.584524 BFGS: 9898 04:52:54 -1747.494311 121.768268 BFGS: 9899 04:52:54 -1747.488725 122.052849 BFGS: 9900 04:52:54 -1747.483130 121.884692 BFGS: 9901 04:52:55 -1747.462466 121.000593 BFGS: 9902 04:52:55 -1747.472108 121.383082 BFGS: 9903 04:52:55 -1747.466513 121.365373 BFGS: 9904 04:52:55 -1747.460939 121.367719 BFGS: 9905 04:52:55 -1747.455358 121.402222 BFGS: 9906 04:52:56 -1747.449882 121.628431 BFGS: 9907 04:52:56 -1747.444381 122.152487 BFGS: 9908 04:52:56 -1747.438935 123.625412 BFGS: 9909 04:52:56 -1747.433395 123.504915 BFGS: 9910 04:52:56 -1747.427840 123.650446 BFGS: 9911 04:52:57 -1747.422277 123.440954 BFGS: 9912 04:52:57 -1747.416713 123.360578 BFGS: 9913 04:52:57 -1747.410992 124.628591 BFGS: 9914 04:52:57 -1747.405562 122.924375 BFGS: 9915 04:52:58 -1747.400013 123.276204 BFGS: 9916 04:52:58 -1747.394450 123.450227 BFGS: 9917 04:52:58 -1747.388885 123.439507 BFGS: 9918 04:52:58 -1747.383172 125.318152 BFGS: 9919 04:52:59 -1747.377750 123.252978 BFGS: 9920 04:52:59 -1747.372188 123.390793 BFGS: 9921 04:52:59 -1747.366624 123.703968 BFGS: 9922 04:52:59 -1747.361057 123.396193 BFGS: 9923 04:52:59 -1747.355489 123.316260 BFGS: 9924 04:53:00 -1747.349928 123.489385 BFGS: 9925 04:53:00 -1747.344363 123.647259 BFGS: 9926 04:53:00 -1747.338797 123.516389 BFGS: 9927 04:53:00 -1747.333231 123.421870 BFGS: 9928 04:53:01 -1747.327678 123.614788 BFGS: 9929 04:53:01 -1747.322122 124.206587 BFGS: 9930 04:53:01 -1747.316561 123.768410 BFGS: 9931 04:53:01 -1747.311000 123.739264 BFGS: 9932 04:53:01 -1747.305436 124.521736 BFGS: 9933 04:53:02 -1747.299882 123.795734 BFGS: 9934 04:53:02 -1747.294324 123.841362 BFGS: 9935 04:53:02 -1747.288630 125.867396 BFGS: 9936 04:53:02 -1747.283205 123.812397 BFGS: 9937 04:53:03 -1747.277651 123.956701 BFGS: 9938 04:53:03 -1747.272095 124.379587 BFGS: 9939 04:53:03 -1747.266536 123.979765 BFGS: 9940 04:53:03 -1747.260978 123.937064 BFGS: 9941 04:53:04 -1747.255426 124.508541 BFGS: 9942 04:53:04 -1747.249870 124.086413 BFGS: 9943 04:53:04 -1747.244313 124.037817 BFGS: 9944 04:53:04 -1747.238766 124.550306 BFGS: 9945 04:53:04 -1747.233212 124.243913 BFGS: 9946 04:53:05 -1747.227657 124.115896 BFGS: 9947 04:53:05 -1747.222125 124.090912 BFGS: 9948 04:53:05 -1747.216146 127.236225 BFGS: 9949 04:53:05 -1747.211124 124.678504 BFGS: 9950 04:53:06 -1747.205584 124.678123 BFGS: 9951 04:53:06 -1747.200041 124.796850 BFGS: 9952 04:53:06 -1747.194495 124.525164 BFGS: 9953 04:53:06 -1747.188948 124.402701 BFGS: 9954 04:53:07 -1747.183403 124.457138 BFGS: 9955 04:53:07 -1747.177853 124.326666 BFGS: 9956 04:53:07 -1747.172303 124.232908 BFGS: 9957 04:53:07 -1747.166754 124.316893 BFGS: 9958 04:53:07 -1747.161204 124.258311 BFGS: 9959 04:53:08 -1747.155655 124.380711 BFGS: 9960 04:53:08 -1747.150105 124.240034 BFGS: 9961 04:53:08 -1747.144554 124.130001 BFGS: 9962 04:53:08 -1747.139002 124.095814 BFGS: 9963 04:53:09 -1747.133447 123.977618 BFGS: 9964 04:53:09 -1747.127903 124.010064 BFGS: 9965 04:53:09 -1747.122307 125.449092 BFGS: 9966 04:53:09 -1747.116817 124.209798 BFGS: 9967 04:53:10 -1747.111271 124.280694 BFGS: 9968 04:53:10 -1747.105716 125.050172 BFGS: 9969 04:53:10 -1747.100178 124.284194 BFGS: 9970 04:53:10 -1747.094634 124.343759 BFGS: 9971 04:53:11 -1747.089037 125.724790 BFGS: 9972 04:53:11 -1747.083541 124.333570 BFGS: 9973 04:53:11 -1747.077999 124.455684 BFGS: 9974 04:53:11 -1747.072454 124.951078 BFGS: 9975 04:53:12 -1747.066909 124.445662 BFGS: 9976 04:53:12 -1747.061364 124.456712 BFGS: 9977 04:53:12 -1747.053573 131.698983 BFGS: 9978 04:53:12 -1747.050273 124.409960 BFGS: 9979 04:53:13 -1747.044734 124.596286 BFGS: 9980 04:53:13 -1747.039193 124.849177 BFGS: 9981 04:53:13 -1747.033648 124.614598 BFGS: 9982 04:53:13 -1747.028101 124.497961 BFGS: 9983 04:53:14 -1747.022557 124.473901 BFGS: 9984 04:53:14 -1747.016996 125.636027 BFGS: 9985 04:53:14 -1747.011476 124.587183 BFGS: 9986 04:53:14 -1747.005936 124.669638 BFGS: 9987 04:53:14 -1747.000384 125.450105 BFGS: 9988 04:53:15 -1746.994851 124.634593 BFGS: 9989 04:53:15 -1746.989312 124.704213 BFGS: 9990 04:53:15 -1746.983752 125.653290 BFGS: 9991 04:53:16 -1746.978229 124.669414 BFGS: 9992 04:53:16 -1746.972691 124.759491 BFGS: 9993 04:53:16 -1746.967146 125.440887 BFGS: 9994 04:53:16 -1746.961610 124.733284 BFGS: 9995 04:53:17 -1746.956072 124.788620 BFGS: 9996 04:53:17 -1746.950482 126.128216 BFGS: 9997 04:53:17 -1746.944992 124.750095 BFGS: 9998 04:53:17 -1746.939456 124.870457 BFGS: 9999 04:53:18 -1746.933918 125.346836 BFGS: 10000 04:53:18 -1746.928379 124.856254 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 304.58899090856187 eV/Angstrom Maximum stress component: 61.2673199904333 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', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[0.00000000e+00 0.00000000e+00 5.30955377e-01] [0.00000000e+00 1.01731949e-16 4.69044623e-01] [6.66666667e-01 3.33333333e-01 8.64288710e-01] [6.66666667e-01 3.33333333e-01 8.02377957e-01] [3.33333333e-01 6.66666667e-01 1.97622043e-01] [3.33333333e-01 6.66666667e-01 1.35711290e-01] [7.38768475e-18 0.00000000e+00 6.17975847e-01] [0.00000000e+00 1.01731947e-16 3.82024153e-01] [6.66666667e-01 3.33333333e-01 9.51309180e-01] [6.66666667e-01 3.33333333e-01 7.15357486e-01] [3.33333333e-01 6.66666667e-01 2.84642514e-01] [3.33333333e-01 6.66666667e-01 4.86908197e-02] [1.17652012e-17 1.77568335e-26 6.84884930e-01] [0.00000000e+00 1.01731946e-16 3.15115070e-01] [6.66666667e-01 3.33333333e-01 1.82182636e-02] [6.66666667e-01 3.33333333e-01 6.48448403e-01] [3.33333333e-01 6.66666667e-01 3.51551597e-01] [3.33333333e-01 6.66666667e-01 9.81781736e-01] [0.00000000e+00 0.00000000e+00 8.87798523e-01] [0.00000000e+00 5.68697267e-26 1.12201477e-01] [6.66666667e-01 3.33333333e-01 2.21131857e-01] [6.66666667e-01 3.33333333e-01 4.45534810e-01] [3.33333333e-01 6.66666667e-01 5.54465190e-01] [3.33333333e-01 6.66666667e-01 7.78868143e-01] [0.00000000e+00 6.91520249e-27 9.63704826e-01] [0.00000000e+00 0.00000000e+00 3.62951738e-02] [6.66666667e-01 3.33333333e-01 2.97038160e-01] [6.66666667e-01 3.33333333e-01 3.69628507e-01] [3.33333333e-01 6.66666667e-01 6.30371493e-01] [3.33333333e-01 6.66666667e-01 7.02961840e-01]] cellpar = Cell([[1.4921694374116725, 1.858910066850047e-16, -8.036563036635632e-17], [-0.7460847187058355, 1.2922566395492725, -1.5310485812047936e-14], [-1.839024715817748e-15, -2.5467105576303787e-13, 12.751907955319057]]) forces = [[ 1.09763130e-14 1.52001721e-12 -7.61104144e+01] [-1.09763130e-14 -1.52001721e-12 7.61104144e+01] [ 1.09763130e-14 1.52001721e-12 -7.61104144e+01] [-1.09763130e-14 -1.52001721e-12 7.61104144e+01] [ 1.09763130e-14 1.52001721e-12 -7.61104144e+01] [-1.09763130e-14 -1.52001721e-12 7.61104144e+01] [ 4.24715113e-14 5.88152216e-12 -2.94500013e+02] [-4.24715113e-14 -5.88152216e-12 2.94500013e+02] [ 4.24715113e-14 5.88152216e-12 -2.94500013e+02] [-4.24715113e-14 -5.88152216e-12 2.94500013e+02] [ 4.24715113e-14 5.88152216e-12 -2.94500013e+02] [-4.24715113e-14 -5.88152216e-12 2.94500013e+02] [ 4.39264998e-14 6.08301128e-12 -3.04588991e+02] [-4.39264998e-14 -6.08301128e-12 3.04588991e+02] [ 4.39264998e-14 6.08301128e-12 -3.04588991e+02] [-4.39264998e-14 -6.08301128e-12 3.04588991e+02] [ 4.39264998e-14 6.08301128e-12 -3.04588991e+02] [-4.39264998e-14 -6.08301128e-12 3.04588991e+02] [-7.65793807e-16 -1.06048339e-13 5.31006030e+00] [ 7.65793807e-16 1.06048339e-13 -5.31006030e+00] [-7.65793807e-16 -1.06048339e-13 5.31006030e+00] [ 7.65793807e-16 1.06048339e-13 -5.31006030e+00] [-7.65793807e-16 -1.06048339e-13 5.31006030e+00] [ 7.65793807e-16 1.06048339e-13 -5.31006030e+00] [ 1.94915834e-14 2.69922534e-12 -1.35155811e+02] [-1.94915834e-14 -2.69922534e-12 1.35155811e+02] [ 1.94915834e-14 2.69922534e-12 -1.35155811e+02] [-1.94915834e-14 -2.69922534e-12 1.35155811e+02] [ 1.94915834e-14 2.69922534e-12 -1.35155811e+02] [-1.94915834e-14 -2.69922534e-12 1.35155811e+02]] stress = [-1.89708190e+01 -1.89708190e+01 6.12673200e+01 2.70552659e-13 1.36303493e-13 2.86209224e-14] energy per atom = -58.23094595928852 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0