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: Sim_LAMMPS_Vashishta_VashishtaKaliaNakano_2007_SiC__SM_196548226654_000 ==== 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 10:54:01 3964.643895 208.810167 BFGS: 1 10:54:02 3933.297542 206.016615 BFGS: 2 10:54:02 3905.028452 204.958265 BFGS: 3 10:54:02 3874.818027 202.780107 BFGS: 4 10:54:03 3845.154286 200.165438 BFGS: 5 10:54:03 3815.750398 198.314379 BFGS: 6 10:54:03 3786.691166 195.462140 BFGS: 7 10:54:03 3758.393020 194.050370 BFGS: 8 10:54:04 3729.886188 192.033904 BFGS: 9 10:54:04 3701.719622 190.084915 BFGS: 10 10:54:04 3673.840596 188.157703 BFGS: 11 10:54:04 3646.246261 186.253387 BFGS: 12 10:54:05 3618.932283 184.371722 BFGS: 13 10:54:05 3591.911660 182.513023 BFGS: 14 10:54:05 3565.188248 180.677733 BFGS: 15 10:54:05 3538.781626 178.866708 BFGS: 16 10:54:06 3512.715766 177.082582 BFGS: 17 10:54:06 3486.999721 175.332661 BFGS: 18 10:54:06 3461.618866 173.609962 BFGS: 19 10:54:06 3436.573781 171.913281 BFGS: 20 10:54:07 3411.865083 170.242092 BFGS: 21 10:54:07 3387.493975 168.595728 BFGS: 22 10:54:07 3363.461847 166.974147 BFGS: 23 10:54:07 3339.769988 165.377309 BFGS: 24 10:54:08 3316.419635 163.805171 BFGS: 25 10:54:08 3293.411974 162.257686 BFGS: 26 10:54:08 3270.748124 160.734807 BFGS: 27 10:54:08 3248.429114 159.236481 BFGS: 28 10:54:09 3226.455861 157.762822 BFGS: 29 10:54:09 3204.829742 156.317019 BFGS: 30 10:54:09 3183.568373 154.896882 BFGS: 31 10:54:09 3162.677498 153.502141 BFGS: 32 10:54:10 3142.157970 152.132968 BFGS: 33 10:54:10 3122.010254 150.789325 BFGS: 34 10:54:10 3102.234494 149.471122 BFGS: 35 10:54:10 3082.830499 148.178249 BFGS: 36 10:54:11 3063.797719 146.910574 BFGS: 37 10:54:11 3045.135225 145.667946 BFGS: 38 10:54:11 3026.841703 144.450195 BFGS: 39 10:54:11 3008.915442 143.257133 BFGS: 40 10:54:11 2991.355138 142.088666 BFGS: 41 10:54:12 2974.173654 140.945179 BFGS: 42 10:54:12 2957.369681 139.827480 BFGS: 43 10:54:12 2940.949390 138.735511 BFGS: 44 10:54:12 2924.910848 137.698470 BFGS: 45 10:54:12 2909.262080 136.763051 BFGS: 46 10:54:13 2894.007757 135.855973 BFGS: 47 10:54:13 2879.144947 134.977425 BFGS: 48 10:54:13 2864.669954 134.126340 BFGS: 49 10:54:13 2850.575863 133.302771 BFGS: 50 10:54:13 2836.853179 132.505467 BFGS: 51 10:54:14 2823.491917 131.734172 BFGS: 52 10:54:14 2810.483015 130.987660 BFGS: 53 10:54:14 2797.818761 130.264990 BFGS: 54 10:54:14 2785.483454 129.566051 BFGS: 55 10:54:14 2773.465713 128.888474 BFGS: 56 10:54:15 2761.753989 128.231087 BFGS: 57 10:54:15 2750.340871 127.593426 BFGS: 58 10:54:15 2739.218785 126.974918 BFGS: 59 10:54:15 2728.380043 126.374958 BFGS: 60 10:54:15 2717.816827 125.796489 BFGS: 61 10:54:16 2707.526738 125.238255 BFGS: 62 10:54:16 2697.505713 124.697459 BFGS: 63 10:54:16 2687.745723 124.173429 BFGS: 64 10:54:16 2678.238565 123.665493 BFGS: 65 10:54:16 2668.976037 123.173004 BFGS: 66 10:54:16 2659.949994 122.695328 BFGS: 67 10:54:17 2651.152382 122.231846 BFGS: 68 10:54:17 2642.575256 121.781951 BFGS: 69 10:54:17 2634.210797 121.345049 BFGS: 70 10:54:17 2626.051334 120.920559 BFGS: 71 10:54:17 2618.089348 120.507915 BFGS: 72 10:54:18 2610.317490 120.106565 BFGS: 73 10:54:18 2602.728588 119.715973 BFGS: 74 10:54:18 2595.315640 119.336688 BFGS: 75 10:54:18 2588.071964 118.968831 BFGS: 76 10:54:18 2580.991269 118.610200 BFGS: 77 10:54:19 2574.067087 118.260472 BFGS: 78 10:54:19 2567.293170 117.920251 BFGS: 79 10:54:19 2560.663663 117.587925 BFGS: 80 10:54:19 2554.172794 117.263058 BFGS: 81 10:54:19 2547.814943 116.945243 BFGS: 82 10:54:20 2541.584678 116.634085 BFGS: 83 10:54:20 2535.476765 116.329209 BFGS: 84 10:54:20 2529.486163 116.030256 BFGS: 85 10:54:20 2523.608028 115.736881 BFGS: 86 10:54:20 2517.837700 115.448754 BFGS: 87 10:54:21 2512.170706 115.165562 BFGS: 88 10:54:21 2506.602751 114.887003 BFGS: 89 10:54:21 2501.129716 114.612790 BFGS: 90 10:54:21 2495.747648 114.342649 BFGS: 91 10:54:22 2490.452749 114.077509 BFGS: 92 10:54:22 2485.242128 113.818053 BFGS: 93 10:54:22 2480.113550 113.565117 BFGS: 94 10:54:22 2475.065406 113.319766 BFGS: 95 10:54:22 2470.096734 113.079966 BFGS: 96 10:54:23 2465.205451 112.843426 BFGS: 97 10:54:23 2460.388216 112.609806 BFGS: 98 10:54:23 2455.641874 112.378903 BFGS: 99 10:54:23 2450.963394 112.150491 BFGS: 100 10:54:23 2446.349894 111.924393 BFGS: 101 10:54:23 2441.798613 111.700413 BFGS: 102 10:54:24 2437.306924 111.478388 BFGS: 103 10:54:24 2432.872308 111.258144 BFGS: 104 10:54:24 2428.492368 111.039534 BFGS: 105 10:54:24 2424.164808 110.822400 BFGS: 106 10:54:24 2419.887440 110.606611 BFGS: 107 10:54:24 2415.658165 110.392026 BFGS: 108 10:54:25 2411.474986 110.178527 BFGS: 109 10:54:25 2407.335979 109.966361 BFGS: 110 10:54:25 2403.239442 109.757223 BFGS: 111 10:54:25 2399.184642 109.549223 BFGS: 112 10:54:25 2395.169766 109.341974 BFGS: 113 10:54:25 2391.193111 109.135497 BFGS: 114 10:54:26 2387.253109 108.931014 BFGS: 115 10:54:26 2383.348386 108.727014 BFGS: 116 10:54:26 2379.477565 108.524380 BFGS: 117 10:54:26 2375.639260 108.323493 BFGS: 118 10:54:26 2371.832449 108.122723 BFGS: 119 10:54:27 2368.055795 107.922020 BFGS: 120 10:54:27 2364.308160 107.721464 BFGS: 121 10:54:27 2360.588143 107.520814 BFGS: 122 10:54:27 2356.894755 107.320240 BFGS: 123 10:54:27 2353.226496 107.119366 BFGS: 124 10:54:28 2349.582555 106.918551 BFGS: 125 10:54:28 2345.961206 106.717203 BFGS: 126 10:54:28 2342.361897 106.515896 BFGS: 127 10:54:28 2338.782988 106.313885 BFGS: 128 10:54:28 2335.224285 106.111754 BFGS: 129 10:54:29 2331.684534 105.908917 BFGS: 130 10:54:29 2328.163384 105.705763 BFGS: 131 10:54:29 2324.659755 105.501958 BFGS: 132 10:54:29 2321.173060 105.297691 BFGS: 133 10:54:29 2317.702352 105.092773 BFGS: 134 10:54:30 2314.246952 104.887284 BFGS: 135 10:54:30 2310.806011 104.681108 BFGS: 136 10:54:30 2307.378834 104.474275 BFGS: 137 10:54:30 2303.964641 104.266751 BFGS: 138 10:54:31 2300.562540 104.058453 BFGS: 139 10:54:31 2297.171742 103.849446 BFGS: 140 10:54:31 2293.791023 103.639452 BFGS: 141 10:54:31 2290.419751 103.428600 BFGS: 142 10:54:31 2287.057123 103.216888 BFGS: 143 10:54:32 2283.702076 103.004092 BFGS: 144 10:54:32 2280.354071 102.790375 BFGS: 145 10:54:32 2277.012419 102.579017 BFGS: 146 10:54:33 2273.676868 102.366193 BFGS: 147 10:54:33 2270.347152 102.152378 BFGS: 148 10:54:33 2267.022694 101.937543 BFGS: 149 10:54:34 2263.702921 101.721682 BFGS: 150 10:54:34 2260.387263 101.504771 BFGS: 151 10:54:34 2257.075164 101.286796 BFGS: 152 10:54:34 2253.766012 101.070350 BFGS: 153 10:54:35 2250.460526 100.854650 BFGS: 154 10:54:35 2247.158203 100.640654 BFGS: 155 10:54:35 2243.859561 100.426251 BFGS: 156 10:54:35 2240.563614 100.210823 BFGS: 157 10:54:36 2237.269857 99.994334 BFGS: 158 10:54:36 2233.977779 99.776795 BFGS: 159 10:54:36 2230.686878 99.558176 BFGS: 160 10:54:36 2227.396654 99.338478 BFGS: 161 10:54:37 2224.106623 99.117678 BFGS: 162 10:54:37 2220.816295 98.895775 BFGS: 163 10:54:37 2217.525201 98.672747 BFGS: 164 10:54:37 2214.232862 98.448597 BFGS: 165 10:54:37 2210.938822 98.223300 BFGS: 166 10:54:38 2207.642612 97.996863 BFGS: 167 10:54:38 2204.343792 97.769260 BFGS: 168 10:54:38 2201.041901 97.540502 BFGS: 169 10:54:38 2197.736515 97.310558 BFGS: 170 10:54:39 2194.427177 97.079449 BFGS: 171 10:54:39 2191.113485 96.847133 BFGS: 172 10:54:39 2187.794986 96.613649 BFGS: 173 10:54:39 2184.471304 96.378934 BFGS: 174 10:54:40 2181.141992 96.143054 BFGS: 175 10:54:40 2177.806711 95.905919 BFGS: 176 10:54:40 2174.465023 95.667633 BFGS: 177 10:54:40 2171.116646 95.428064 BFGS: 178 10:54:41 2167.761149 95.187366 BFGS: 179 10:54:41 2164.398298 94.945361 BFGS: 180 10:54:41 2161.027638 94.702243 BFGS: 181 10:54:41 2157.648908 94.457802 BFGS: 182 10:54:42 2154.261597 94.212234 BFGS: 183 10:54:42 2150.865377 93.965345 BFGS: 184 10:54:42 2147.459742 93.717295 BFGS: 185 10:54:42 2144.044344 93.467939 BFGS: 186 10:54:43 2140.618728 93.217391 BFGS: 187 10:54:43 2137.182556 92.965553 BFGS: 188 10:54:43 2133.735421 92.712711 BFGS: 189 10:54:44 2130.276996 92.459384 BFGS: 190 10:54:44 2126.807009 92.206582 BFGS: 191 10:54:44 2123.325444 91.952515 BFGS: 192 10:54:45 2119.832229 91.697207 BFGS: 193 10:54:45 2116.327048 91.440728 BFGS: 194 10:54:45 2112.809566 91.183014 BFGS: 195 10:54:45 2109.279477 90.924124 BFGS: 196 10:54:46 2105.736461 90.664008 BFGS: 197 10:54:46 2102.180222 90.402714 BFGS: 198 10:54:46 2098.610453 90.140204 BFGS: 199 10:54:47 2095.026865 89.876517 BFGS: 200 10:54:47 2091.429164 89.611622 BFGS: 201 10:54:47 2087.817072 89.345556 BFGS: 202 10:54:47 2084.190304 89.078290 BFGS: 203 10:54:48 2080.548593 88.809858 BFGS: 204 10:54:48 2076.891668 88.540238 BFGS: 205 10:54:48 2073.219270 88.269458 BFGS: 206 10:54:48 2069.531139 87.997501 BFGS: 207 10:54:49 2065.827030 87.724394 BFGS: 208 10:54:49 2062.106693 87.450122 BFGS: 209 10:54:49 2058.369894 87.174710 BFGS: 210 10:54:50 2054.616397 86.898145 BFGS: 211 10:54:50 2050.845978 86.620454 BFGS: 212 10:54:50 2047.058410 86.342207 BFGS: 213 10:54:50 2043.253791 86.065059 BFGS: 214 10:54:51 2039.432733 85.788557 BFGS: 215 10:54:51 2035.595740 85.511787 BFGS: 216 10:54:51 2031.742512 85.234074 BFGS: 217 10:54:51 2027.872763 84.955337 BFGS: 218 10:54:52 2023.986327 84.675599 BFGS: 219 10:54:52 2020.083028 84.394861 BFGS: 220 10:54:52 2016.162701 84.113139 BFGS: 221 10:54:53 2012.225184 83.830435 BFGS: 222 10:54:53 2008.270327 83.546764 BFGS: 223 10:54:53 2004.297980 83.262130 BFGS: 224 10:54:53 2000.308005 82.976548 BFGS: 225 10:54:54 1996.300270 82.690022 BFGS: 226 10:54:54 1992.274650 82.402569 BFGS: 227 10:54:54 1988.231026 82.114193 BFGS: 228 10:54:54 1984.169288 81.824911 BFGS: 229 10:54:55 1980.089320 81.535665 BFGS: 230 10:54:55 1975.991216 81.246430 BFGS: 231 10:54:55 1971.875075 80.957136 BFGS: 232 10:54:55 1967.740921 80.668078 BFGS: 233 10:54:56 1963.588909 80.378359 BFGS: 234 10:54:56 1959.418972 80.089808 BFGS: 235 10:54:56 1955.232458 79.800920 BFGS: 236 10:54:56 1951.028714 79.511259 BFGS: 237 10:54:57 1946.807744 79.220908 BFGS: 238 10:54:57 1942.569518 78.929836 BFGS: 239 10:54:57 1938.314010 78.638097 BFGS: 240 10:54:57 1934.041209 78.345666 BFGS: 241 10:54:57 1929.751104 78.052594 BFGS: 242 10:54:58 1925.443698 77.758857 BFGS: 243 10:54:58 1921.118996 77.464507 BFGS: 244 10:54:58 1916.777016 77.169521 BFGS: 245 10:54:58 1912.417779 76.873949 BFGS: 246 10:54:59 1908.041310 76.578065 BFGS: 247 10:54:59 1903.647727 76.281758 BFGS: 248 10:54:59 1899.236968 75.984989 BFGS: 249 10:54:59 1894.809097 75.687722 BFGS: 250 10:55:00 1890.364132 75.389911 BFGS: 251 10:55:00 1885.902145 75.091606 BFGS: 252 10:55:00 1881.423217 74.792791 BFGS: 253 10:55:00 1876.927432 74.493511 BFGS: 254 10:55:01 1872.414886 74.193755 BFGS: 255 10:55:01 1867.885679 73.893566 BFGS: 256 10:55:01 1863.339921 73.592934 BFGS: 257 10:55:01 1858.777729 73.291900 BFGS: 258 10:55:02 1854.199229 72.990457 BFGS: 259 10:55:02 1849.604551 72.692565 BFGS: 260 10:55:02 1844.993836 72.467007 BFGS: 261 10:55:02 1840.367232 72.240575 BFGS: 262 10:55:02 1835.724895 72.013290 BFGS: 263 10:55:03 1831.066986 71.785138 BFGS: 264 10:55:03 1826.393675 71.556138 BFGS: 265 10:55:03 1821.705141 71.326278 BFGS: 266 10:55:03 1817.001558 71.096516 BFGS: 267 10:55:04 1812.282694 70.866809 BFGS: 268 10:55:04 1807.549519 70.636440 BFGS: 269 10:55:04 1802.802702 70.406563 BFGS: 270 10:55:04 1798.043218 70.177432 BFGS: 271 10:55:05 1793.270110 69.948861 BFGS: 272 10:55:05 1788.483068 69.720389 BFGS: 273 10:55:05 1783.682266 69.491349 BFGS: 274 10:55:05 1778.868040 69.261647 BFGS: 275 10:55:06 1774.040678 69.031245 BFGS: 276 10:55:06 1769.200391 68.800177 BFGS: 277 10:55:06 1764.347411 68.568424 BFGS: 278 10:55:06 1759.481960 68.336015 BFGS: 279 10:55:07 1754.604277 68.102940 BFGS: 280 10:55:07 1749.714597 67.869221 BFGS: 281 10:55:07 1744.813171 67.634853 BFGS: 282 10:55:07 1739.900244 67.399866 BFGS: 283 10:55:08 1734.976021 67.164966 BFGS: 284 10:55:08 1730.041555 66.929980 BFGS: 285 10:55:08 1725.097603 66.694687 BFGS: 286 10:55:08 1720.144534 66.459571 BFGS: 287 10:55:09 1715.183353 66.223984 BFGS: 288 10:55:09 1710.214265 65.987947 BFGS: 289 10:55:09 1705.237701 65.751465 BFGS: 290 10:55:09 1700.254089 65.514551 BFGS: 291 10:55:10 1695.263619 65.278691 BFGS: 292 10:55:10 1690.265510 65.043260 BFGS: 293 10:55:10 1685.259761 64.809393 BFGS: 294 10:55:10 1680.245422 64.576412 BFGS: 295 10:55:11 1675.222267 64.343345 BFGS: 296 10:55:11 1670.190641 64.109873 BFGS: 297 10:55:11 1665.150904 63.875992 BFGS: 298 10:55:11 1660.103342 63.641711 BFGS: 299 10:55:12 1655.048239 63.407040 BFGS: 300 10:55:12 1649.985877 63.171990 BFGS: 301 10:55:12 1644.916543 62.936572 BFGS: 302 10:55:12 1639.840526 62.700798 BFGS: 303 10:55:13 1634.758118 62.464678 BFGS: 304 10:55:13 1629.669613 62.228224 BFGS: 305 10:55:13 1624.575308 61.991447 BFGS: 306 10:55:13 1619.475503 61.754360 BFGS: 307 10:55:14 1614.370499 61.516975 BFGS: 308 10:55:14 1609.260599 61.279303 BFGS: 309 10:55:14 1604.146108 61.041356 BFGS: 310 10:55:14 1599.027335 60.803147 BFGS: 311 10:55:14 1593.904587 60.564689 BFGS: 312 10:55:15 1588.778175 60.325994 BFGS: 313 10:55:15 1583.648410 60.087075 BFGS: 314 10:55:15 1578.515606 59.847944 BFGS: 315 10:55:15 1573.380075 59.608614 BFGS: 316 10:55:16 1568.242134 59.369098 BFGS: 317 10:55:16 1563.102097 59.129410 BFGS: 318 10:55:16 1557.960280 58.889561 BFGS: 319 10:55:16 1552.817001 58.649566 BFGS: 320 10:55:16 1547.672576 58.409438 BFGS: 321 10:55:17 1542.527322 58.169189 BFGS: 322 10:55:17 1537.381556 57.928833 BFGS: 323 10:55:17 1532.235597 57.688383 BFGS: 324 10:55:17 1527.089760 57.447853 BFGS: 325 10:55:18 1521.944363 57.207255 BFGS: 326 10:55:18 1516.799721 56.966603 BFGS: 327 10:55:18 1511.656151 56.725910 BFGS: 328 10:55:18 1506.513968 56.485190 BFGS: 329 10:55:18 1501.373486 56.244456 BFGS: 330 10:55:19 1496.235017 56.003720 BFGS: 331 10:55:19 1491.098875 55.762997 BFGS: 332 10:55:19 1485.965371 55.522299 BFGS: 333 10:55:19 1480.834814 55.281640 BFGS: 334 10:55:20 1475.707513 55.041032 BFGS: 335 10:55:20 1470.583774 54.800489 BFGS: 336 10:55:20 1465.463903 54.560024 BFGS: 337 10:55:20 1460.348204 54.319649 BFGS: 338 10:55:21 1455.236978 54.079378 BFGS: 339 10:55:21 1450.130526 53.839222 BFGS: 340 10:55:21 1445.029131 53.599840 BFGS: 341 10:55:21 1439.933397 53.361502 BFGS: 342 10:55:22 1434.843908 53.123761 BFGS: 343 10:55:22 1429.760833 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7.840213 BFGS: 768 10:56:46 299.998635 7.811141 BFGS: 769 10:56:46 299.046243 7.782160 BFGS: 770 10:56:46 298.097410 7.753270 BFGS: 771 10:56:47 297.152125 7.724471 BFGS: 772 10:56:47 296.210378 7.695762 BFGS: 773 10:56:47 295.272158 7.667143 BFGS: 774 10:56:47 294.337454 7.638613 BFGS: 775 10:56:47 293.406254 7.610172 BFGS: 776 10:56:48 292.478549 7.581819 BFGS: 777 10:56:48 291.554328 7.553555 BFGS: 778 10:56:48 290.633579 7.525379 BFGS: 779 10:56:48 289.716292 7.497290 BFGS: 780 10:56:48 288.802457 7.469289 BFGS: 781 10:56:48 287.892062 7.441374 BFGS: 782 10:56:49 286.985097 7.413546 BFGS: 783 10:56:49 286.081552 7.385804 BFGS: 784 10:56:49 285.181416 7.358147 BFGS: 785 10:56:49 284.284678 7.330576 BFGS: 786 10:56:49 283.391329 7.303090 BFGS: 787 10:56:49 282.501356 7.275689 BFGS: 788 10:56:50 281.614751 7.248372 BFGS: 789 10:56:50 280.731503 7.221139 BFGS: 790 10:56:50 279.851601 7.193990 BFGS: 791 10:56:50 278.975035 7.166924 BFGS: 792 10:56:50 278.101794 7.139941 BFGS: 793 10:56:50 277.231870 7.113040 BFGS: 794 10:56:51 276.365250 7.086222 BFGS: 795 10:56:51 275.501926 7.059486 BFGS: 796 10:56:51 274.641886 7.032831 BFGS: 797 10:56:51 273.785122 7.006258 BFGS: 798 10:56:51 272.931622 6.979765 BFGS: 799 10:56:52 272.081377 6.953354 BFGS: 800 10:56:52 271.234377 6.927022 BFGS: 801 10:56:52 270.390612 6.900770 BFGS: 802 10:56:52 269.550006 6.876907 BFGS: 803 10:56:52 268.712158 6.854008 BFGS: 804 10:56:52 267.876971 6.831174 BFGS: 805 10:56:53 267.044443 6.808405 BFGS: 806 10:56:53 266.214571 6.785701 BFGS: 807 10:56:53 265.387355 6.763060 BFGS: 808 10:56:53 264.562789 6.740483 BFGS: 809 10:56:53 263.740872 6.717969 BFGS: 810 10:56:53 262.921599 6.695518 BFGS: 811 10:56:54 262.104967 6.673130 BFGS: 812 10:56:54 261.290973 6.650803 BFGS: 813 10:56:54 260.479611 6.628539 BFGS: 814 10:56:54 259.670878 6.606336 BFGS: 815 10:56:54 258.864768 6.584194 BFGS: 816 10:56:54 258.061279 6.562113 BFGS: 817 10:56:55 257.260403 6.540093 BFGS: 818 10:56:55 256.462138 6.518134 BFGS: 819 10:56:55 255.666477 6.496234 BFGS: 820 10:56:55 254.873416 6.474394 BFGS: 821 10:56:55 254.082950 6.452614 BFGS: 822 10:56:56 253.295072 6.430893 BFGS: 823 10:56:56 252.509779 6.409230 BFGS: 824 10:56:56 251.727045 6.387689 BFGS: 825 10:56:56 250.947025 6.366231 BFGS: 826 10:56:56 250.169779 6.344831 BFGS: 827 10:56:56 249.395299 6.323485 BFGS: 828 10:56:57 248.623566 6.302194 BFGS: 829 10:56:57 247.854561 6.280958 BFGS: 830 10:56:57 247.088269 6.259776 BFGS: 831 10:56:57 246.324673 6.238650 BFGS: 832 10:56:57 245.563756 6.217579 BFGS: 833 10:56:57 244.805505 6.196563 BFGS: 834 10:56:58 244.049904 6.175603 BFGS: 835 10:56:58 243.296940 6.154698 BFGS: 836 10:56:58 242.546601 6.133849 BFGS: 837 10:56:58 241.798873 6.113055 BFGS: 838 10:56:58 241.053744 6.092317 BFGS: 839 10:56:58 240.311203 6.071635 BFGS: 840 10:56:59 239.571237 6.051008 BFGS: 841 10:56:59 238.833837 6.030436 BFGS: 842 10:56:59 238.098990 6.009920 BFGS: 843 10:56:59 237.366688 5.989460 BFGS: 844 10:56:59 236.636920 5.969054 BFGS: 845 10:56:59 235.909675 5.948704 BFGS: 846 10:57:00 235.184945 5.928409 BFGS: 847 10:57:00 234.462720 5.908169 BFGS: 848 10:57:00 233.742991 5.887984 BFGS: 849 10:57:00 233.025748 5.867854 BFGS: 850 10:57:00 232.310984 5.847779 BFGS: 851 10:57:00 231.598690 5.827758 BFGS: 852 10:57:01 230.888857 5.807791 BFGS: 853 10:57:01 230.181476 5.787879 BFGS: 854 10:57:01 229.476541 5.768021 BFGS: 855 10:57:01 228.774042 5.748217 BFGS: 856 10:57:01 228.073972 5.728466 BFGS: 857 10:57:01 227.376324 5.708770 BFGS: 858 10:57:02 226.681089 5.689127 BFGS: 859 10:57:02 225.988260 5.669537 BFGS: 860 10:57:02 225.297829 5.650001 BFGS: 861 10:57:02 224.609790 5.630518 BFGS: 862 10:57:02 223.924134 5.611087 BFGS: 863 10:57:02 223.240856 5.591710 BFGS: 864 10:57:03 222.559946 5.572385 BFGS: 865 10:57:03 221.881400 5.553112 BFGS: 866 10:57:03 221.205209 5.533892 BFGS: 867 10:57:03 220.531366 5.514723 BFGS: 868 10:57:03 219.859866 5.495607 BFGS: 869 10:57:03 219.190700 5.476542 BFGS: 870 10:57:03 218.523862 5.457529 BFGS: 871 10:57:04 217.859346 5.438568 BFGS: 872 10:57:04 217.197145 5.419657 BFGS: 873 10:57:04 216.537253 5.400798 BFGS: 874 10:57:04 215.879662 5.381989 BFGS: 875 10:57:04 215.224366 5.363232 BFGS: 876 10:57:04 214.571359 5.344524 BFGS: 877 10:57:05 213.920635 5.325867 BFGS: 878 10:57:05 213.272187 5.307261 BFGS: 879 10:57:05 212.626008 5.288704 BFGS: 880 10:57:05 211.982093 5.270197 BFGS: 881 10:57:05 211.340434 5.251740 BFGS: 882 10:57:05 210.701027 5.233332 BFGS: 883 10:57:06 210.063864 5.214974 BFGS: 884 10:57:06 209.428940 5.196665 BFGS: 885 10:57:06 208.796248 5.178405 BFGS: 886 10:57:06 208.165783 5.160193 BFGS: 887 10:57:06 207.537532 5.142177 BFGS: 888 10:57:06 206.911461 5.124474 BFGS: 889 10:57:06 206.287543 5.106949 BFGS: 890 10:57:07 205.665773 5.089474 BFGS: 891 10:57:07 205.046142 5.072048 BFGS: 892 10:57:07 204.428645 5.054670 BFGS: 893 10:57:07 203.813253 5.037702 BFGS: 894 10:57:07 203.199919 5.020969 BFGS: 895 10:57:07 202.588635 5.004309 BFGS: 896 10:57:08 201.979370 4.987942 BFGS: 897 10:57:08 201.372110 4.971620 BFGS: 898 10:57:08 200.766850 4.955343 BFGS: 899 10:57:08 200.163584 4.939110 BFGS: 900 10:57:08 199.562304 4.922921 BFGS: 901 10:57:08 198.963007 4.906776 BFGS: 902 10:57:08 198.365685 4.890676 BFGS: 903 10:57:09 197.770332 4.874619 BFGS: 904 10:57:09 197.176944 4.858606 BFGS: 905 10:57:09 196.585517 4.842637 BFGS: 906 10:57:09 195.996084 4.826710 BFGS: 907 10:57:09 195.408637 4.810826 BFGS: 908 10:57:09 194.823169 4.794984 BFGS: 909 10:57:10 194.239671 4.779185 BFGS: 910 10:57:10 193.658136 4.763428 BFGS: 911 10:57:10 193.078515 4.749213 BFGS: 912 10:57:10 192.500671 4.736004 BFGS: 913 10:57:10 191.924583 4.722826 BFGS: 914 10:57:10 191.350241 4.709678 BFGS: 915 10:57:10 190.777631 4.696559 BFGS: 916 10:57:11 190.206742 4.683472 BFGS: 917 10:57:11 189.637562 4.670414 BFGS: 918 10:57:11 189.070081 4.657387 BFGS: 919 10:57:11 188.504289 4.644391 BFGS: 920 10:57:11 187.940176 4.631425 BFGS: 921 10:57:11 187.377731 4.618490 BFGS: 922 10:57:12 186.816947 4.605586 BFGS: 923 10:57:12 186.257814 4.592713 BFGS: 924 10:57:12 185.700323 4.579871 BFGS: 925 10:57:12 185.144466 4.567059 BFGS: 926 10:57:12 184.590236 4.554279 BFGS: 927 10:57:12 184.037625 4.541530 BFGS: 928 10:57:13 183.486624 4.528811 BFGS: 929 10:57:13 182.937228 4.516124 BFGS: 930 10:57:13 182.389428 4.503467 BFGS: 931 10:57:13 181.843218 4.490841 BFGS: 932 10:57:13 181.298592 4.478247 BFGS: 933 10:57:13 180.755542 4.465683 BFGS: 934 10:57:13 180.214062 4.453150 BFGS: 935 10:57:14 179.674147 4.440648 BFGS: 936 10:57:14 179.135790 4.428177 BFGS: 937 10:57:14 178.598985 4.415736 BFGS: 938 10:57:14 178.063726 4.403326 BFGS: 939 10:57:14 177.530008 4.390947 BFGS: 940 10:57:14 176.997826 4.378598 BFGS: 941 10:57:15 176.467173 4.366280 BFGS: 942 10:57:15 175.938045 4.353993 BFGS: 943 10:57:15 175.410436 4.341736 BFGS: 944 10:57:15 174.884341 4.329509 BFGS: 945 10:57:15 174.359756 4.317312 BFGS: 946 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4.010585 BFGS: 972 10:57:19 160.749711 3.999177 BFGS: 973 10:57:20 160.265579 3.987797 BFGS: 974 10:57:20 159.782833 3.976444 BFGS: 975 10:57:20 159.301470 3.965120 BFGS: 976 10:57:20 158.821487 3.953823 BFGS: 977 10:57:20 158.342880 3.942554 BFGS: 978 10:57:21 157.865645 3.931312 BFGS: 979 10:57:21 157.389778 3.920098 BFGS: 980 10:57:21 156.915276 3.908912 BFGS: 981 10:57:21 156.442136 3.897752 BFGS: 982 10:57:21 155.970354 3.886620 BFGS: 983 10:57:21 155.499926 3.875515 BFGS: 984 10:57:21 155.030849 3.864437 BFGS: 985 10:57:22 154.563119 3.853386 BFGS: 986 10:57:22 154.096733 3.842362 BFGS: 987 10:57:22 153.631688 3.831364 BFGS: 988 10:57:22 153.167980 3.820394 BFGS: 989 10:57:22 152.705606 3.809450 BFGS: 990 10:57:22 152.244562 3.798532 BFGS: 991 10:57:23 151.784845 3.787641 BFGS: 992 10:57:23 151.326451 3.776776 BFGS: 993 10:57:23 150.869377 3.765938 BFGS: 994 10:57:23 150.413621 3.755125 BFGS: 995 10:57:23 149.959178 3.744339 BFGS: 996 10:57:23 149.506045 3.733579 BFGS: 997 10:57:24 149.054219 3.722844 BFGS: 998 10:57:24 148.603697 3.712136 BFGS: 999 10:57:24 148.154475 3.701453 BFGS: 1000 10:57:24 147.706551 3.690796 BFGS: 1001 10:57:24 147.259920 3.680165 BFGS: 1002 10:57:24 146.814580 3.669559 BFGS: 1003 10:57:24 146.370527 3.658978 BFGS: 1004 10:57:25 145.927759 3.648423 BFGS: 1005 10:57:25 145.486272 3.637893 BFGS: 1006 10:57:25 145.046063 3.627388 BFGS: 1007 10:57:25 144.607129 3.616909 BFGS: 1008 10:57:25 144.169466 3.606454 BFGS: 1009 10:57:25 143.733072 3.596024 BFGS: 1010 10:57:26 143.297943 3.585619 BFGS: 1011 10:57:26 142.864077 3.575239 BFGS: 1012 10:57:26 142.431470 3.564884 BFGS: 1013 10:57:26 142.000118 3.554553 BFGS: 1014 10:57:26 141.570020 3.544247 BFGS: 1015 10:57:27 141.141172 3.533965 BFGS: 1016 10:57:27 140.713571 3.523708 BFGS: 1017 10:57:27 140.287213 3.513475 BFGS: 1018 10:57:27 139.862097 3.503266 BFGS: 1019 10:57:27 139.438218 3.493081 BFGS: 1020 10:57:27 139.015574 3.482920 BFGS: 1021 10:57:27 138.594161 3.472784 BFGS: 1022 10:57:28 138.173978 3.462671 BFGS: 1023 10:57:28 137.755020 3.452582 BFGS: 1024 10:57:28 137.337285 3.442517 BFGS: 1025 10:57:28 136.920770 3.432475 BFGS: 1026 10:57:28 136.505473 3.422457 BFGS: 1027 10:57:28 136.091389 3.412463 BFGS: 1028 10:57:29 135.678516 3.402492 BFGS: 1029 10:57:29 135.266851 3.392545 BFGS: 1030 10:57:29 134.856392 3.382620 BFGS: 1031 10:57:29 134.447134 3.372719 BFGS: 1032 10:57:29 134.039077 3.362841 BFGS: 1033 10:57:30 133.632216 3.352987 BFGS: 1034 10:57:30 133.226548 3.343155 BFGS: 1035 10:57:30 132.822072 3.333346 BFGS: 1036 10:57:30 132.418784 3.323560 BFGS: 1037 10:57:30 132.016680 3.313797 BFGS: 1038 10:57:30 131.615759 3.304057 BFGS: 1039 10:57:30 131.216018 3.294339 BFGS: 1040 10:57:31 130.817453 3.284643 BFGS: 1041 10:57:31 130.420063 3.274971 BFGS: 1042 10:57:31 130.023843 3.265320 BFGS: 1043 10:57:31 129.628792 3.255692 BFGS: 1044 10:57:31 129.234906 3.246087 BFGS: 1045 10:57:31 128.842183 3.236503 BFGS: 1046 10:57:32 128.450620 3.226942 BFGS: 1047 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10:59:29 14.389314 0.474936 BFGS: 1837 10:59:30 14.351583 0.474048 BFGS: 1838 10:59:30 14.313922 0.473160 BFGS: 1839 10:59:30 14.276329 0.472274 BFGS: 1840 10:59:30 14.238805 0.471389 BFGS: 1841 10:59:30 14.201349 0.470506 BFGS: 1842 10:59:30 14.163961 0.469624 BFGS: 1843 10:59:30 14.126642 0.468742 BFGS: 1844 10:59:31 14.089391 0.467862 BFGS: 1845 10:59:31 14.052209 0.466984 BFGS: 1846 10:59:31 14.015094 0.466106 BFGS: 1847 10:59:31 13.978047 0.465230 BFGS: 1848 10:59:31 13.941068 0.464355 BFGS: 1849 10:59:31 13.904157 0.463481 BFGS: 1850 10:59:31 13.867314 0.462609 BFGS: 1851 10:59:31 13.830538 0.461737 BFGS: 1852 10:59:32 13.793829 0.460867 BFGS: 1853 10:59:32 13.757188 0.459998 BFGS: 1854 10:59:32 13.720615 0.459130 BFGS: 1855 10:59:32 13.684108 0.458264 BFGS: 1856 10:59:32 13.647669 0.457398 BFGS: 1857 10:59:32 13.611296 0.456534 BFGS: 1858 10:59:32 13.574991 0.455671 BFGS: 1859 10:59:32 13.538753 0.454809 BFGS: 1860 10:59:33 13.502581 0.453949 BFGS: 1861 10:59:33 13.466476 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10:59:36 12.550861 0.431163 BFGS: 1888 10:59:36 12.516523 0.430335 BFGS: 1889 10:59:36 12.482249 0.429509 BFGS: 1890 10:59:37 12.448039 0.428684 BFGS: 1891 10:59:37 12.413894 0.427860 BFGS: 1892 10:59:37 12.379812 0.427037 BFGS: 1893 10:59:37 12.345794 0.426215 BFGS: 1894 10:59:37 12.311840 0.425394 BFGS: 1895 10:59:37 12.277950 0.424575 BFGS: 1896 10:59:37 12.244123 0.423757 BFGS: 1897 10:59:37 12.210360 0.422940 BFGS: 1898 10:59:38 12.176660 0.422124 BFGS: 1899 10:59:38 12.143024 0.421309 BFGS: 1900 10:59:38 12.109451 0.420495 BFGS: 1901 10:59:38 12.075941 0.419682 BFGS: 1902 10:59:38 12.042494 0.418871 BFGS: 1903 10:59:38 12.009110 0.418060 BFGS: 1904 10:59:38 11.975789 0.417251 BFGS: 1905 10:59:39 11.942531 0.416443 BFGS: 1906 10:59:39 11.909336 0.415636 BFGS: 1907 10:59:39 11.876203 0.414830 BFGS: 1908 10:59:39 11.843133 0.414026 BFGS: 1909 10:59:39 11.810126 0.413222 BFGS: 1910 10:59:39 11.777180 0.412419 BFGS: 1911 10:59:39 11.744298 0.411618 BFGS: 1912 10:59:40 11.711477 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0.371446 BFGS: 1964 10:59:47 10.088562 0.370701 BFGS: 1965 10:59:47 10.058925 0.369958 BFGS: 1966 10:59:47 10.029345 0.369215 BFGS: 1967 10:59:47 9.999823 0.368474 BFGS: 1968 10:59:48 9.970359 0.367733 BFGS: 1969 10:59:48 9.940952 0.366994 BFGS: 1970 10:59:48 9.911604 0.366256 BFGS: 1971 10:59:48 9.882312 0.365518 BFGS: 1972 10:59:48 9.853079 0.364782 BFGS: 1973 10:59:48 9.823902 0.364047 BFGS: 1974 10:59:48 9.794783 0.363312 BFGS: 1975 10:59:48 9.765721 0.362579 BFGS: 1976 10:59:49 9.736716 0.361846 BFGS: 1977 10:59:49 9.707769 0.361115 BFGS: 1978 10:59:49 9.678878 0.360385 BFGS: 1979 10:59:49 9.650044 0.359656 BFGS: 1980 10:59:49 9.621268 0.358927 BFGS: 1981 10:59:49 9.592547 0.358200 BFGS: 1982 10:59:49 9.563884 0.357474 BFGS: 1983 10:59:49 9.535277 0.356748 BFGS: 1984 10:59:50 9.506727 0.356024 BFGS: 1985 10:59:50 9.478233 0.355301 BFGS: 1986 10:59:50 9.449796 0.354578 BFGS: 1987 10:59:50 9.421415 0.353857 BFGS: 1988 10:59:50 9.393090 0.353136 BFGS: 1989 10:59:50 9.364822 0.352417 BFGS: 1990 10:59:50 9.336609 0.351699 BFGS: 1991 10:59:50 9.308453 0.350981 BFGS: 1992 10:59:51 9.280352 0.350265 BFGS: 1993 10:59:51 9.252308 0.349549 BFGS: 1994 10:59:51 9.224319 0.348835 BFGS: 1995 10:59:51 9.196386 0.348121 BFGS: 1996 10:59:51 9.168509 0.347409 BFGS: 1997 10:59:51 9.140687 0.346697 BFGS: 1998 10:59:51 9.112921 0.345987 BFGS: 1999 10:59:52 9.085210 0.345277 BFGS: 2000 10:59:52 9.057555 0.344569 BFGS: 2001 10:59:52 9.029955 0.343861 BFGS: 2002 10:59:52 9.002410 0.343154 BFGS: 2003 10:59:52 8.974920 0.342449 BFGS: 2004 10:59:52 8.947485 0.341744 BFGS: 2005 10:59:53 8.920106 0.341040 BFGS: 2006 10:59:53 8.892781 0.340337 BFGS: 2007 10:59:53 8.865511 0.339635 BFGS: 2008 10:59:53 8.838296 0.338934 BFGS: 2009 10:59:53 8.811136 0.338234 BFGS: 2010 10:59:53 8.784030 0.337535 BFGS: 2011 10:59:54 8.756979 0.336837 BFGS: 2012 10:59:54 8.729983 0.336140 BFGS: 2013 10:59:54 8.703041 0.335444 BFGS: 2014 10:59:54 8.676153 0.334749 BFGS: 2015 10:59:54 8.649320 0.334054 BFGS: 2016 10:59:54 8.622540 0.333361 BFGS: 2017 10:59:55 8.595815 0.332669 BFGS: 2018 10:59:55 8.569144 0.331977 BFGS: 2019 10:59:55 8.542528 0.331287 BFGS: 2020 10:59:55 8.515965 0.330597 BFGS: 2021 10:59:55 8.489455 0.329909 BFGS: 2022 10:59:55 8.463000 0.329221 BFGS: 2023 10:59:55 8.436599 0.328534 BFGS: 2024 10:59:56 8.410251 0.327848 BFGS: 2025 10:59:56 8.383956 0.327163 BFGS: 2026 10:59:56 8.357716 0.326479 BFGS: 2027 10:59:56 8.331528 0.325796 BFGS: 2028 10:59:56 8.305394 0.325114 BFGS: 2029 10:59:56 8.279314 0.324433 BFGS: 2030 10:59:56 8.253286 0.323753 BFGS: 2031 10:59:57 8.227312 0.323073 BFGS: 2032 10:59:57 8.201391 0.322395 BFGS: 2033 10:59:57 8.175523 0.321717 BFGS: 2034 10:59:57 8.149708 0.321041 BFGS: 2035 10:59:57 8.123946 0.320365 BFGS: 2036 10:59:57 8.098237 0.319690 BFGS: 2037 10:59:57 8.072580 0.319017 BFGS: 2038 10:59:58 8.046976 0.318344 BFGS: 2039 10:59:58 8.021425 0.317672 BFGS: 2040 10:59:58 7.995926 0.317000 BFGS: 2041 10:59:58 7.970480 0.316330 BFGS: 2042 10:59:58 7.945086 0.315661 BFGS: 2043 10:59:58 7.919745 0.314993 BFGS: 2044 10:59:59 7.894456 0.314325 BFGS: 2045 10:59:59 7.869219 0.313658 BFGS: 2046 10:59:59 7.844034 0.312993 BFGS: 2047 10:59:59 7.818902 0.312328 BFGS: 2048 10:59:59 7.793821 0.311664 BFGS: 2049 10:59:59 7.768792 0.311001 BFGS: 2050 10:59:59 7.743816 0.310339 BFGS: 2051 10:59:59 7.718891 0.309678 BFGS: 2052 11:00:00 7.694017 0.309017 BFGS: 2053 11:00:00 7.669196 0.308358 BFGS: 2054 11:00:00 7.644426 0.307699 BFGS: 2055 11:00:00 7.619708 0.307042 BFGS: 2056 11:00:00 7.595041 0.306385 BFGS: 2057 11:00:00 7.570426 0.305729 BFGS: 2058 11:00:01 7.545861 0.305074 BFGS: 2059 11:00:01 7.521349 0.304420 BFGS: 2060 11:00:01 7.496887 0.303767 BFGS: 2061 11:00:01 7.472477 0.303114 BFGS: 2062 11:00:01 7.448117 0.302463 BFGS: 2063 11:00:01 7.423809 0.301812 BFGS: 2064 11:00:01 7.399552 0.301162 BFGS: 2065 11:00:02 7.375345 0.300513 BFGS: 2066 11:00:02 7.351190 0.299865 BFGS: 2067 11:00:02 7.327085 0.299218 BFGS: 2068 11:00:02 7.303031 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5.557600 0.250148 BFGS: 2148 11:00:16 5.537400 0.249567 BFGS: 2149 11:00:16 5.517246 0.248987 BFGS: 2150 11:00:16 5.497138 0.248407 BFGS: 2151 11:00:16 5.477075 0.247829 BFGS: 2152 11:00:16 5.457058 0.247251 BFGS: 2153 11:00:17 5.437086 0.246673 BFGS: 2154 11:00:17 5.417160 0.246097 BFGS: 2155 11:00:17 5.397279 0.245521 BFGS: 2156 11:00:17 5.377444 0.244946 BFGS: 2157 11:00:17 5.357654 0.244372 BFGS: 2158 11:00:17 5.337910 0.243799 BFGS: 2159 11:00:17 5.318210 0.243226 BFGS: 2160 11:00:18 5.298556 0.242654 BFGS: 2161 11:00:18 5.278946 0.242083 BFGS: 2162 11:00:18 5.259382 0.241512 BFGS: 2163 11:00:18 5.239863 0.240943 BFGS: 2164 11:00:18 5.220388 0.240374 BFGS: 2165 11:00:18 5.200959 0.239806 BFGS: 2166 11:00:19 5.181574 0.239238 BFGS: 2167 11:00:19 5.162234 0.238671 BFGS: 2168 11:00:19 5.142939 0.238105 BFGS: 2169 11:00:19 5.123689 0.237540 BFGS: 2170 11:00:19 5.104483 0.236976 BFGS: 2171 11:00:19 5.085321 0.236412 BFGS: 2172 11:00:19 5.066204 0.235849 BFGS: 2173 11:00:20 5.047131 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3.676216 0.193105 BFGS: 2253 11:00:34 3.660526 0.192598 BFGS: 2254 11:00:34 3.644876 0.192092 BFGS: 2255 11:00:34 3.629267 0.191587 BFGS: 2256 11:00:35 3.613697 0.191082 BFGS: 2257 11:00:35 3.598168 0.190578 BFGS: 2258 11:00:35 3.582679 0.190074 BFGS: 2259 11:00:35 3.567230 0.189572 BFGS: 2260 11:00:35 3.551820 0.189069 BFGS: 2261 11:00:35 3.536451 0.188568 BFGS: 2262 11:00:36 3.521121 0.188067 BFGS: 2263 11:00:36 3.505831 0.187567 BFGS: 2264 11:00:36 3.490581 0.187067 BFGS: 2265 11:00:36 3.475371 0.186568 BFGS: 2266 11:00:36 3.460200 0.186070 BFGS: 2267 11:00:36 3.445069 0.185572 BFGS: 2268 11:00:37 3.429978 0.185075 BFGS: 2269 11:00:37 3.414926 0.184579 BFGS: 2270 11:00:37 3.399913 0.184083 BFGS: 2271 11:00:37 3.384940 0.183588 BFGS: 2272 11:00:37 3.370007 0.183093 BFGS: 2273 11:00:38 3.355112 0.182599 BFGS: 2274 11:00:38 3.340257 0.182106 BFGS: 2275 11:00:38 3.325441 0.181613 BFGS: 2276 11:00:38 3.310664 0.181121 BFGS: 2277 11:00:38 3.295927 0.180630 BFGS: 2278 11:00:38 3.281228 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11:01:00 1.420226 0.109944 BFGS: 2437 11:01:00 1.411191 0.109543 BFGS: 2438 11:01:01 1.402188 0.109142 BFGS: 2439 11:01:01 1.393217 0.108742 BFGS: 2440 11:01:01 1.384279 0.108342 BFGS: 2441 11:01:01 1.375373 0.107943 BFGS: 2442 11:01:01 1.366499 0.107545 BFGS: 2443 11:01:01 1.357658 0.107146 BFGS: 2444 11:01:01 1.348848 0.106749 BFGS: 2445 11:01:02 1.340071 0.106351 BFGS: 2446 11:01:02 1.331326 0.105955 BFGS: 2447 11:01:02 1.322613 0.105558 BFGS: 2448 11:01:02 1.313932 0.105163 BFGS: 2449 11:01:02 1.305283 0.104767 BFGS: 2450 11:01:02 1.296666 0.104373 BFGS: 2451 11:01:02 1.288081 0.103978 BFGS: 2452 11:01:02 1.279528 0.103585 BFGS: 2453 11:01:02 1.271007 0.103191 BFGS: 2454 11:01:03 1.262517 0.102799 BFGS: 2455 11:01:03 1.254060 0.102406 BFGS: 2456 11:01:03 1.245634 0.102014 BFGS: 2457 11:01:03 1.237239 0.101623 BFGS: 2458 11:01:03 1.228877 0.101232 BFGS: 2459 11:01:03 1.220546 0.100842 BFGS: 2460 11:01:03 1.212247 0.100452 BFGS: 2461 11:01:03 1.203979 0.100063 BFGS: 2462 11:01:04 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BFGS: 2515 11:01:11 0.803414 0.079740 BFGS: 2516 11:01:11 0.796829 0.079377 BFGS: 2517 11:01:11 0.790272 0.079014 BFGS: 2518 11:01:12 0.783746 0.078651 BFGS: 2519 11:01:12 0.777249 0.078289 BFGS: 2520 11:01:12 0.770782 0.077927 BFGS: 2521 11:01:12 0.764344 0.077565 BFGS: 2522 11:01:12 0.757935 0.077204 BFGS: 2523 11:01:12 0.751556 0.076844 BFGS: 2524 11:01:12 0.745207 0.076484 BFGS: 2525 11:01:12 0.738887 0.076124 BFGS: 2526 11:01:13 0.732596 0.075765 BFGS: 2527 11:01:13 0.726334 0.075406 BFGS: 2528 11:01:13 0.720102 0.075048 BFGS: 2529 11:01:13 0.713899 0.074690 BFGS: 2530 11:01:13 0.707725 0.074333 BFGS: 2531 11:01:13 0.701580 0.073976 BFGS: 2532 11:01:13 0.695464 0.073619 BFGS: 2533 11:01:13 0.689378 0.073263 BFGS: 2534 11:01:13 0.683320 0.072908 BFGS: 2535 11:01:14 0.677292 0.072553 BFGS: 2536 11:01:14 0.671292 0.072198 BFGS: 2537 11:01:14 0.665322 0.071843 BFGS: 2538 11:01:14 0.659380 0.071490 BFGS: 2539 11:01:14 0.653468 0.071136 BFGS: 2540 11:01:14 0.647584 0.070783 BFGS: 2541 11:01:15 0.641729 0.070431 BFGS: 2542 11:01:15 0.635903 0.070079 BFGS: 2543 11:01:15 0.630106 0.069727 BFGS: 2544 11:01:15 0.624337 0.069376 BFGS: 2545 11:01:15 0.618597 0.069025 BFGS: 2546 11:01:15 0.612886 0.068674 BFGS: 2547 11:01:15 0.607204 0.068324 BFGS: 2548 11:01:16 0.601550 0.067975 BFGS: 2549 11:01:16 0.595925 0.067626 BFGS: 2550 11:01:16 0.590328 0.067277 BFGS: 2551 11:01:16 0.584760 0.066929 BFGS: 2552 11:01:16 0.579220 0.066581 BFGS: 2553 11:01:16 0.573708 0.066234 BFGS: 2554 11:01:16 0.568226 0.065887 BFGS: 2555 11:01:17 0.562771 0.065540 BFGS: 2556 11:01:17 0.557345 0.065194 BFGS: 2557 11:01:17 0.551947 0.064849 BFGS: 2558 11:01:17 0.546578 0.064503 BFGS: 2559 11:01:17 0.541237 0.064158 BFGS: 2560 11:01:17 0.535924 0.063814 BFGS: 2561 11:01:17 0.530639 0.063470 BFGS: 2562 11:01:18 0.525382 0.063127 BFGS: 2563 11:01:18 0.520154 0.062783 BFGS: 2564 11:01:18 0.514954 0.062441 BFGS: 2565 11:01:18 0.509781 0.062098 BFGS: 2566 11:01:18 0.504637 0.061757 BFGS: 2567 11:01:18 0.499521 0.061415 BFGS: 2568 11:01:19 0.494433 0.061074 BFGS: 2569 11:01:19 0.489373 0.060734 BFGS: 2570 11:01:19 0.484340 0.060393 BFGS: 2571 11:01:19 0.479336 0.060054 BFGS: 2572 11:01:19 0.474359 0.059714 BFGS: 2573 11:01:19 0.469411 0.059375 BFGS: 2574 11:01:19 0.464490 0.059037 BFGS: 2575 11:01:19 0.459597 0.058699 BFGS: 2576 11:01:20 0.454731 0.058361 BFGS: 2577 11:01:20 0.449894 0.058024 BFGS: 2578 11:01:20 0.445084 0.057687 BFGS: 2579 11:01:20 0.440301 0.057351 BFGS: 2580 11:01:20 0.435546 0.057015 BFGS: 2581 11:01:20 0.430819 0.056679 BFGS: 2582 11:01:20 0.426120 0.056344 BFGS: 2583 11:01:20 0.421448 0.056009 BFGS: 2584 11:01:21 0.416803 0.055675 BFGS: 2585 11:01:21 0.412186 0.055341 BFGS: 2586 11:01:21 0.407596 0.055007 BFGS: 2587 11:01:21 0.403034 0.054674 BFGS: 2588 11:01:21 0.398499 0.054342 BFGS: 2589 11:01:21 0.393992 0.054009 BFGS: 2590 11:01:21 0.389511 0.053677 BFGS: 2591 11:01:21 0.385059 0.053346 BFGS: 2592 11:01:21 0.380633 0.053015 BFGS: 2593 11:01:21 0.376234 0.052684 BFGS: 2594 11:01:22 0.371863 0.052354 BFGS: 2595 11:01:22 0.367519 0.052024 BFGS: 2596 11:01:22 0.363202 0.051694 BFGS: 2597 11:01:22 0.358912 0.051365 BFGS: 2598 11:01:22 0.354650 0.051037 BFGS: 2599 11:01:22 0.350414 0.050709 BFGS: 2600 11:01:22 0.346205 0.050381 BFGS: 2601 11:01:22 0.342023 0.050053 BFGS: 2602 11:01:22 0.337869 0.049726 BFGS: 2603 11:01:23 0.333741 0.049400 BFGS: 2604 11:01:23 0.329640 0.049073 BFGS: 2605 11:01:23 0.325566 0.048747 BFGS: 2606 11:01:23 0.321519 0.048422 BFGS: 2607 11:01:23 0.317498 0.048097 BFGS: 2608 11:01:23 0.313504 0.047772 BFGS: 2609 11:01:23 0.309538 0.047448 BFGS: 2610 11:01:23 0.305597 0.047124 BFGS: 2611 11:01:23 0.301684 0.046801 BFGS: 2612 11:01:24 0.297797 0.046478 BFGS: 2613 11:01:24 0.293937 0.046155 BFGS: 2614 11:01:24 0.290103 0.045833 BFGS: 2615 11:01:24 0.286296 0.045511 BFGS: 2616 11:01:24 0.282516 0.045190 BFGS: 2617 11:01:24 0.278762 0.044868 BFGS: 2618 11:01:24 0.275034 0.044548 BFGS: 2619 11:01:24 0.271333 0.044227 BFGS: 2620 11:01:24 0.267659 0.043908 BFGS: 2621 11:01:25 0.264011 0.043588 BFGS: 2622 11:01:25 0.260389 0.043269 BFGS: 2623 11:01:25 0.256794 0.042950 BFGS: 2624 11:01:25 0.253224 0.042632 BFGS: 2625 11:01:25 0.249682 0.042314 BFGS: 2626 11:01:25 0.246165 0.041996 BFGS: 2627 11:01:25 0.242675 0.041679 BFGS: 2628 11:01:25 0.239210 0.041362 BFGS: 2629 11:01:25 0.235772 0.041046 BFGS: 2630 11:01:26 0.232361 0.040730 BFGS: 2631 11:01:26 0.228975 0.040414 BFGS: 2632 11:01:26 0.225615 0.040099 BFGS: 2633 11:01:26 0.222282 0.039784 BFGS: 2634 11:01:26 0.218974 0.039470 BFGS: 2635 11:01:26 0.215692 0.039156 BFGS: 2636 11:01:26 0.212437 0.038842 BFGS: 2637 11:01:26 0.209207 0.038529 BFGS: 2638 11:01:26 0.206003 0.038216 BFGS: 2639 11:01:27 0.202826 0.037903 BFGS: 2640 11:01:27 0.199674 0.037591 BFGS: 2641 11:01:27 0.196547 0.037279 BFGS: 2642 11:01:27 0.193447 0.036968 BFGS: 2643 11:01:27 0.190373 0.036657 BFGS: 2644 11:01:27 0.187324 0.036346 BFGS: 2645 11:01:27 0.184301 0.036036 BFGS: 2646 11:01:28 0.181303 0.035726 BFGS: 2647 11:01:28 0.178331 0.035417 BFGS: 2648 11:01:28 0.175385 0.035108 BFGS: 2649 11:01:28 0.172465 0.034799 BFGS: 2650 11:01:28 0.169570 0.034491 BFGS: 2651 11:01:28 0.166700 0.034183 BFGS: 2652 11:01:29 0.163857 0.033875 BFGS: 2653 11:01:29 0.161038 0.033568 BFGS: 2654 11:01:29 0.158245 0.033261 BFGS: 2655 11:01:29 0.155478 0.032954 BFGS: 2656 11:01:29 0.152736 0.032648 BFGS: 2657 11:01:29 0.150019 0.032342 BFGS: 2658 11:01:30 0.147328 0.032037 BFGS: 2659 11:01:30 0.144662 0.031732 BFGS: 2660 11:01:30 0.142021 0.031427 BFGS: 2661 11:01:30 0.139406 0.031123 BFGS: 2662 11:01:30 0.136816 0.030819 BFGS: 2663 11:01:30 0.134251 0.030516 BFGS: 2664 11:01:30 0.131711 0.030213 BFGS: 2665 11:01:31 0.129196 0.029910 BFGS: 2666 11:01:31 0.126707 0.029608 BFGS: 2667 11:01:31 0.124243 0.029305 BFGS: 2668 11:01:31 0.121804 0.029004 BFGS: 2669 11:01:31 0.119389 0.028703 BFGS: 2670 11:01:31 0.117000 0.028402 BFGS: 2671 11:01:32 0.114636 0.028101 BFGS: 2672 11:01:32 0.112297 0.027801 BFGS: 2673 11:01:32 0.109983 0.027501 BFGS: 2674 11:01:32 0.107693 0.027202 BFGS: 2675 11:01:32 0.105429 0.026902 BFGS: 2676 11:01:32 0.103190 0.026604 BFGS: 2677 11:01:32 0.100975 0.026305 BFGS: 2678 11:01:33 0.098785 0.026007 BFGS: 2679 11:01:33 0.096620 0.025710 BFGS: 2680 11:01:33 0.094480 0.025412 BFGS: 2681 11:01:33 0.092364 0.025115 BFGS: 2682 11:01:33 0.090273 0.024819 BFGS: 2683 11:01:33 0.088207 0.024523 BFGS: 2684 11:01:33 0.086166 0.024227 BFGS: 2685 11:01:33 0.084149 0.023931 BFGS: 2686 11:01:34 0.082156 0.023636 BFGS: 2687 11:01:34 0.080189 0.023341 BFGS: 2688 11:01:34 0.078245 0.023047 BFGS: 2689 11:01:34 0.076327 0.022753 BFGS: 2690 11:01:34 0.074433 0.022459 BFGS: 2691 11:01:34 0.072563 0.022166 BFGS: 2692 11:01:34 0.070718 0.021873 BFGS: 2693 11:01:34 0.068897 0.021580 BFGS: 2694 11:01:35 0.067100 0.021288 BFGS: 2695 11:01:35 0.065328 0.020996 BFGS: 2696 11:01:35 0.063581 0.020705 BFGS: 2697 11:01:35 0.061857 0.020413 BFGS: 2698 11:01:35 0.060158 0.020123 BFGS: 2699 11:01:35 0.058483 0.019832 BFGS: 2700 11:01:35 0.056833 0.019542 BFGS: 2701 11:01:35 0.055206 0.019252 BFGS: 2702 11:01:36 0.053604 0.018963 BFGS: 2703 11:01:36 0.052026 0.018674 BFGS: 2704 11:01:36 0.050472 0.018385 BFGS: 2705 11:01:36 0.048942 0.018096 BFGS: 2706 11:01:36 0.047436 0.017808 BFGS: 2707 11:01:36 0.045955 0.017521 BFGS: 2708 11:01:36 0.044497 0.017233 BFGS: 2709 11:01:36 0.043063 0.016946 BFGS: 2710 11:01:37 0.041654 0.016660 BFGS: 2711 11:01:37 0.040268 0.016373 BFGS: 2712 11:01:37 0.038906 0.016088 BFGS: 2713 11:01:37 0.037568 0.015802 BFGS: 2714 11:01:37 0.036254 0.015517 BFGS: 2715 11:01:37 0.034964 0.015232 BFGS: 2716 11:01:37 0.033698 0.014947 BFGS: 2717 11:01:37 0.032455 0.014663 BFGS: 2718 11:01:38 0.031236 0.014379 BFGS: 2719 11:01:38 0.030041 0.014096 BFGS: 2720 11:01:38 0.028870 0.013812 BFGS: 2721 11:01:38 0.027722 0.013529 BFGS: 2722 11:01:38 0.026598 0.013247 BFGS: 2723 11:01:38 0.025498 0.012965 BFGS: 2724 11:01:38 0.024421 0.012683 BFGS: 2725 11:01:38 0.023368 0.012401 BFGS: 2726 11:01:39 0.022339 0.012120 BFGS: 2727 11:01:39 0.021333 0.011839 BFGS: 2728 11:01:39 0.020350 0.011559 BFGS: 2729 11:01:39 0.019391 0.011279 BFGS: 2730 11:01:39 0.018456 0.010999 BFGS: 2731 11:01:39 0.017544 0.010720 BFGS: 2732 11:01:39 0.016655 0.010440 BFGS: 2733 11:01:39 0.015790 0.010162 BFGS: 2734 11:01:39 0.014948 0.009883 BFGS: 2735 11:01:40 0.014130 0.009605 BFGS: 2736 11:01:40 0.013335 0.009327 BFGS: 2737 11:01:40 0.012563 0.009050 BFGS: 2738 11:01:40 0.011814 0.008773 BFGS: 2739 11:01:40 0.011089 0.008496 BFGS: 2740 11:01:40 0.010387 0.008220 BFGS: 2741 11:01:40 0.009708 0.007943 BFGS: 2742 11:01:40 0.009052 0.007668 BFGS: 2743 11:01:40 0.008419 0.007392 BFGS: 2744 11:01:41 0.007810 0.007117 BFGS: 2745 11:01:41 0.007223 0.006842 BFGS: 2746 11:01:41 0.006660 0.006568 BFGS: 2747 11:01:41 0.006120 0.006294 BFGS: 2748 11:01:41 0.005603 0.006020 BFGS: 2749 11:01:41 0.005108 0.005746 BFGS: 2750 11:01:41 0.004637 0.005473 BFGS: 2751 11:01:41 0.004189 0.005200 BFGS: 2752 11:01:41 0.003764 0.004928 BFGS: 2753 11:01:42 0.003361 0.004655 BFGS: 2754 11:01:42 0.002982 0.004384 BFGS: 2755 11:01:42 0.002625 0.004112 BFGS: 2756 11:01:42 0.002291 0.003841 BFGS: 2757 11:01:42 0.001980 0.003570 BFGS: 2758 11:01:42 0.001692 0.003299 BFGS: 2759 11:01:42 0.001426 0.003029 BFGS: 2760 11:01:42 0.001183 0.002759 BFGS: 2761 11:01:42 0.000963 0.002489 BFGS: 2762 11:01:43 0.000766 0.002220 BFGS: 2763 11:01:43 0.000591 0.001951 BFGS: 2764 11:01:43 0.000439 0.001808 BFGS: 2765 11:01:43 0.000310 0.001697 BFGS: 2766 11:01:43 0.000203 0.001585 BFGS: 2767 11:01:43 0.000119 0.001470 BFGS: 2768 11:01:43 0.000057 0.001352 BFGS: 2769 11:01:43 0.000018 0.001230 BFGS: 2770 11:01:44 0.000001 0.001100 BFGS: 2771 11:01:44 0.000000 0.000761 BFGS: 2772 11:01:44 0.000000 0.000470 BFGS: 2773 11:01:44 0.000000 0.000274 BFGS: 2774 11:01:44 0.000000 0.000088 BFGS: 2775 11:01:44 0.000000 0.000000 Minimization converged after 2775 steps. Maximum force component: 1.3032056388159306e-09 eV/Angstrom Maximum stress component: 1.7802051317952237e-12 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 3.73979321e-29 5.21028711e-01] [0.00000000e+00 1.01731947e-16 4.78971289e-01] [6.66666667e-01 3.33333333e-01 8.54362044e-01] [6.66666667e-01 3.33333333e-01 8.12304622e-01] [3.33333333e-01 6.66666667e-01 1.87695378e-01] [3.33333333e-01 6.66666667e-01 1.45637956e-01] [7.38768470e-18 4.79822525e-29 6.12302585e-01] [0.00000000e+00 1.01731947e-16 3.87697415e-01] [6.66666667e-01 3.33333333e-01 9.45635918e-01] [6.66666667e-01 3.33333333e-01 7.21030749e-01] [3.33333333e-01 6.66666667e-01 2.78969251e-01] [3.33333333e-01 6.66666667e-01 5.43640819e-02] [1.17652012e-17 6.91508933e-29 6.54364796e-01] [0.00000000e+00 1.01731947e-16 3.45635204e-01] [6.66666667e-01 3.33333333e-01 9.87698129e-01] [6.66666667e-01 3.33333333e-01 6.78968537e-01] [3.33333333e-01 6.66666667e-01 3.21031463e-01] [3.33333333e-01 6.66666667e-01 1.23018705e-02] [0.00000000e+00 7.47958642e-29 8.78965691e-01] [0.00000000e+00 2.08158301e-29 1.21034309e-01] [6.66666667e-01 3.33333333e-01 2.12299024e-01] [6.66666667e-01 3.33333333e-01 4.54367643e-01] [3.33333333e-01 6.66666667e-01 5.45632357e-01] [3.33333333e-01 6.66666667e-01 7.87700976e-01] [0.00000000e+00 3.66923107e-29 9.21031949e-01] [0.00000000e+00 7.14441627e-30 7.89680507e-02] [6.66666667e-01 3.33333333e-01 2.54365283e-01] [6.66666667e-01 3.33333333e-01 4.12301384e-01] [3.33333333e-01 6.66666667e-01 5.87698616e-01] [3.33333333e-01 6.66666667e-01 7.45634717e-01]] cellpar = Cell([[10.327330360121922, -4.957972524545179e-16, -1.3739236579393601e-14], [-5.163665180060961, 8.943730445139883, 1.3752260699370563e-14], [-1.2206950306293507e-13, 7.019111202688995e-14, 174.76106818312232]]) forces = [[-9.10280913e-25 5.23420084e-25 1.30320564e-09] [ 9.10280913e-25 -5.23420084e-25 -1.30320564e-09] [-9.10280913e-25 5.23420084e-25 1.30320564e-09] [ 9.10280913e-25 -5.23420084e-25 -1.30320564e-09] [-9.10280913e-25 5.23420084e-25 1.30320564e-09] [ 9.10280913e-25 -5.23420084e-25 -1.30320564e-09] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00]] stress = [-1.58512727e-41 -1.49776278e-41 -1.78020513e-12 8.85726754e-28 -1.52963360e-27 7.61056901e-43] energy per atom = 1.4802973661668754e-17 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0