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 14:53:43 3964.643895 208.810167 BFGS: 1 14:53:44 3933.297542 206.016615 BFGS: 2 14:53:44 3905.028452 204.958265 BFGS: 3 14:53:44 3874.818027 202.780107 BFGS: 4 14:53:44 3845.154286 200.165438 BFGS: 5 14:53:44 3815.750398 198.314379 BFGS: 6 14:53:44 3786.691166 195.462140 BFGS: 7 14:53:44 3758.393020 194.050370 BFGS: 8 14:53:44 3729.886188 192.033904 BFGS: 9 14:53:44 3701.719622 190.084915 BFGS: 10 14:53:44 3673.840596 188.157703 BFGS: 11 14:53:44 3646.246261 186.253387 BFGS: 12 14:53:44 3618.932283 184.371722 BFGS: 13 14:53:44 3591.911660 182.513023 BFGS: 14 14:53:44 3565.188248 180.677733 BFGS: 15 14:53:44 3538.781626 178.866708 BFGS: 16 14:53:44 3512.715766 177.082582 BFGS: 17 14:53:44 3486.999721 175.332661 BFGS: 18 14:53:44 3461.618866 173.609962 BFGS: 19 14:53:44 3436.573781 171.913281 BFGS: 20 14:53:44 3411.865083 170.242092 BFGS: 21 14:53:44 3387.493975 168.595728 BFGS: 22 14:53:44 3363.461847 166.974147 BFGS: 23 14:53:45 3339.769988 165.377309 BFGS: 24 14:53:45 3316.419635 163.805171 BFGS: 25 14:53:45 3293.411974 162.257686 BFGS: 26 14:53:45 3270.748124 160.734807 BFGS: 27 14:53:45 3248.429114 159.236481 BFGS: 28 14:53:45 3226.455861 157.762822 BFGS: 29 14:53:45 3204.829742 156.317019 BFGS: 30 14:53:45 3183.568373 154.896882 BFGS: 31 14:53:45 3162.677498 153.502141 BFGS: 32 14:53:45 3142.157970 152.132968 BFGS: 33 14:53:45 3122.010254 150.789325 BFGS: 34 14:53:45 3102.234494 149.471122 BFGS: 35 14:53:45 3082.830499 148.178249 BFGS: 36 14:53:45 3063.797719 146.910574 BFGS: 37 14:53:45 3045.135225 145.667946 BFGS: 38 14:53:45 3026.841703 144.450195 BFGS: 39 14:53:45 3008.915442 143.257133 BFGS: 40 14:53:45 2991.355138 142.088666 BFGS: 41 14:53:45 2974.173654 140.945179 BFGS: 42 14:53:45 2957.369681 139.827480 BFGS: 43 14:53:45 2940.949390 138.735511 BFGS: 44 14:53:45 2924.910848 137.698470 BFGS: 45 14:53:45 2909.262080 136.763051 BFGS: 46 14:53:45 2894.007757 135.855973 BFGS: 47 14:53:45 2879.144947 134.977425 BFGS: 48 14:53:45 2864.669954 134.126340 BFGS: 49 14:53:45 2850.575863 133.302771 BFGS: 50 14:53:45 2836.853179 132.505467 BFGS: 51 14:53:45 2823.491917 131.734172 BFGS: 52 14:53:46 2810.483015 130.987660 BFGS: 53 14:53:46 2797.818761 130.264990 BFGS: 54 14:53:46 2785.483454 129.566051 BFGS: 55 14:53:46 2773.465713 128.888474 BFGS: 56 14:53:46 2761.753989 128.231087 BFGS: 57 14:53:47 2750.340871 127.593426 BFGS: 58 14:53:47 2739.218785 126.974918 BFGS: 59 14:53:47 2728.380043 126.374958 BFGS: 60 14:53:47 2717.816827 125.796489 BFGS: 61 14:53:47 2707.526738 125.238255 BFGS: 62 14:53:47 2697.505713 124.697459 BFGS: 63 14:53:47 2687.745723 124.173429 BFGS: 64 14:53:48 2678.238565 123.665493 BFGS: 65 14:53:48 2668.976037 123.173004 BFGS: 66 14:53:48 2659.949994 122.695328 BFGS: 67 14:53:48 2651.152382 122.231846 BFGS: 68 14:53:49 2642.575256 121.781951 BFGS: 69 14:53:49 2634.210797 121.345049 BFGS: 70 14:53:49 2626.051334 120.920559 BFGS: 71 14:53:49 2618.089348 120.507915 BFGS: 72 14:53:49 2610.317490 120.106565 BFGS: 73 14:53:49 2602.728588 119.715973 BFGS: 74 14:53:50 2595.315640 119.336688 BFGS: 75 14:53:50 2588.071964 118.968831 BFGS: 76 14:53:50 2580.991269 118.610200 BFGS: 77 14:53:50 2574.067087 118.260472 BFGS: 78 14:53:50 2567.293170 117.920251 BFGS: 79 14:53:50 2560.663663 117.587925 BFGS: 80 14:53:50 2554.172794 117.263058 BFGS: 81 14:53:50 2547.814943 116.945243 BFGS: 82 14:53:50 2541.584678 116.634085 BFGS: 83 14:53:50 2535.476765 116.329209 BFGS: 84 14:53:51 2529.486163 116.030256 BFGS: 85 14:53:51 2523.608028 115.736881 BFGS: 86 14:53:51 2517.837700 115.448754 BFGS: 87 14:53:51 2512.170706 115.165562 BFGS: 88 14:53:51 2506.602751 114.887003 BFGS: 89 14:53:51 2501.129716 114.612790 BFGS: 90 14:53:51 2495.747648 114.342649 BFGS: 91 14:53:51 2490.452749 114.077509 BFGS: 92 14:53:51 2485.242128 113.818053 BFGS: 93 14:53:51 2480.113550 113.565117 BFGS: 94 14:53:51 2475.065406 113.319766 BFGS: 95 14:53:51 2470.096734 113.079966 BFGS: 96 14:53:51 2465.205451 112.843426 BFGS: 97 14:53:51 2460.388216 112.609806 BFGS: 98 14:53:51 2455.641874 112.378903 BFGS: 99 14:53:51 2450.963394 112.150491 BFGS: 100 14:53:51 2446.349894 111.924393 BFGS: 101 14:53:51 2441.798613 111.700413 BFGS: 102 14:53:51 2437.306924 111.478388 BFGS: 103 14:53:51 2432.872308 111.258144 BFGS: 104 14:53:52 2428.492368 111.039534 BFGS: 105 14:53:52 2424.164808 110.822400 BFGS: 106 14:53:52 2419.887440 110.606611 BFGS: 107 14:53:52 2415.658165 110.392026 BFGS: 108 14:53:52 2411.474986 110.178527 BFGS: 109 14:53:52 2407.335979 109.966361 BFGS: 110 14:53:52 2403.239442 109.757223 BFGS: 111 14:53:52 2399.184642 109.549223 BFGS: 112 14:53:52 2395.169766 109.341974 BFGS: 113 14:53:52 2391.193111 109.135497 BFGS: 114 14:53:52 2387.253109 108.931014 BFGS: 115 14:53:52 2383.348386 108.727014 BFGS: 116 14:53:52 2379.477565 108.524380 BFGS: 117 14:53:52 2375.639260 108.323493 BFGS: 118 14:53:52 2371.832449 108.122723 BFGS: 119 14:53:52 2368.055795 107.922020 BFGS: 120 14:53:52 2364.308160 107.721464 BFGS: 121 14:53:52 2360.588143 107.520814 BFGS: 122 14:53:52 2356.894755 107.320240 BFGS: 123 14:53:52 2353.226496 107.119366 BFGS: 124 14:53:52 2349.582555 106.918551 BFGS: 125 14:53:52 2345.961206 106.717203 BFGS: 126 14:53:52 2342.361897 106.515896 BFGS: 127 14:53:52 2338.782988 106.313885 BFGS: 128 14:53:52 2335.224285 106.111754 BFGS: 129 14:53:52 2331.684534 105.908917 BFGS: 130 14:53:52 2328.163384 105.705763 BFGS: 131 14:53:52 2324.659755 105.501958 BFGS: 132 14:53:52 2321.173060 105.297691 BFGS: 133 14:53:52 2317.702352 105.092773 BFGS: 134 14:53:52 2314.246952 104.887284 BFGS: 135 14:53:53 2310.806011 104.681108 BFGS: 136 14:53:53 2307.378834 104.474275 BFGS: 137 14:53:53 2303.964641 104.266751 BFGS: 138 14:53:53 2300.562540 104.058453 BFGS: 139 14:53:53 2297.171742 103.849446 BFGS: 140 14:53:53 2293.791023 103.639452 BFGS: 141 14:53:53 2290.419751 103.428600 BFGS: 142 14:53:53 2287.057123 103.216888 BFGS: 143 14:53:53 2283.702076 103.004092 BFGS: 144 14:53:53 2280.354071 102.790375 BFGS: 145 14:53:53 2277.012419 102.579017 BFGS: 146 14:53:53 2273.676868 102.366193 BFGS: 147 14:53:53 2270.347152 102.152378 BFGS: 148 14:53:53 2267.022694 101.937543 BFGS: 149 14:53:53 2263.702921 101.721682 BFGS: 150 14:53:53 2260.387263 101.504771 BFGS: 151 14:53:53 2257.075164 101.286796 BFGS: 152 14:53:53 2253.766012 101.070350 BFGS: 153 14:53:53 2250.460526 100.854650 BFGS: 154 14:53:53 2247.158203 100.640654 BFGS: 155 14:53:53 2243.859561 100.426251 BFGS: 156 14:53:53 2240.563614 100.210823 BFGS: 157 14:53:53 2237.269857 99.994334 BFGS: 158 14:53:53 2233.977779 99.776795 BFGS: 159 14:53:53 2230.686878 99.558176 BFGS: 160 14:53:53 2227.396654 99.338478 BFGS: 161 14:53:53 2224.106623 99.117678 BFGS: 162 14:53:53 2220.816295 98.895775 BFGS: 163 14:53:54 2217.525201 98.672747 BFGS: 164 14:53:54 2214.232862 98.448597 BFGS: 165 14:53:54 2210.938822 98.223300 BFGS: 166 14:53:54 2207.642612 97.996863 BFGS: 167 14:53:54 2204.343792 97.769260 BFGS: 168 14:53:54 2201.041901 97.540502 BFGS: 169 14:53:54 2197.736515 97.310558 BFGS: 170 14:53:54 2194.427177 97.079449 BFGS: 171 14:53:54 2191.113485 96.847133 BFGS: 172 14:53:54 2187.794986 96.613649 BFGS: 173 14:53:54 2184.471304 96.378934 BFGS: 174 14:53:54 2181.141992 96.143054 BFGS: 175 14:53:54 2177.806711 95.905919 BFGS: 176 14:53:54 2174.465023 95.667633 BFGS: 177 14:53:54 2171.116646 95.428064 BFGS: 178 14:53:54 2167.761149 95.187366 BFGS: 179 14:53:54 2164.398298 94.945361 BFGS: 180 14:53:54 2161.027638 94.702243 BFGS: 181 14:53:54 2157.648908 94.457802 BFGS: 182 14:53:54 2154.261597 94.212234 BFGS: 183 14:53:54 2150.865377 93.965345 BFGS: 184 14:53:54 2147.459742 93.717295 BFGS: 185 14:53:54 2144.044344 93.467939 BFGS: 186 14:53:54 2140.618728 93.217391 BFGS: 187 14:53:54 2137.182556 92.965553 BFGS: 188 14:53:55 2133.735421 92.712711 BFGS: 189 14:53:55 2130.276996 92.459384 BFGS: 190 14:53:55 2126.807009 92.206582 BFGS: 191 14:53:55 2123.325444 91.952515 BFGS: 192 14:53:55 2119.832229 91.697207 BFGS: 193 14:53:55 2116.327048 91.440728 BFGS: 194 14:53:55 2112.809566 91.183014 BFGS: 195 14:53:55 2109.279477 90.924124 BFGS: 196 14:53:55 2105.736461 90.664008 BFGS: 197 14:53:55 2102.180222 90.402714 BFGS: 198 14:53:55 2098.610453 90.140204 BFGS: 199 14:53:55 2095.026865 89.876517 BFGS: 200 14:53:55 2091.429164 89.611622 BFGS: 201 14:53:55 2087.817072 89.345556 BFGS: 202 14:53:55 2084.190304 89.078290 BFGS: 203 14:53:55 2080.548593 88.809858 BFGS: 204 14:53:55 2076.891668 88.540238 BFGS: 205 14:53:55 2073.219270 88.269458 BFGS: 206 14:53:55 2069.531139 87.997501 BFGS: 207 14:53:55 2065.827030 87.724394 BFGS: 208 14:53:55 2062.106693 87.450122 BFGS: 209 14:53:55 2058.369894 87.174710 BFGS: 210 14:53:55 2054.616397 86.898145 BFGS: 211 14:53:55 2050.845978 86.620454 BFGS: 212 14:53:55 2047.058410 86.342207 BFGS: 213 14:53:55 2043.253791 86.065059 BFGS: 214 14:53:55 2039.432733 85.788557 BFGS: 215 14:53:55 2035.595740 85.511787 BFGS: 216 14:53:55 2031.742512 85.234074 BFGS: 217 14:53:55 2027.872763 84.955337 BFGS: 218 14:53:55 2023.986327 84.675599 BFGS: 219 14:53:55 2020.083028 84.394861 BFGS: 220 14:53:56 2016.162701 84.113139 BFGS: 221 14:53:56 2012.225184 83.830435 BFGS: 222 14:53:56 2008.270327 83.546764 BFGS: 223 14:53:56 2004.297980 83.262130 BFGS: 224 14:53:56 2000.308005 82.976548 BFGS: 225 14:53:56 1996.300270 82.690022 BFGS: 226 14:53:56 1992.274650 82.402569 BFGS: 227 14:53:56 1988.231026 82.114193 BFGS: 228 14:53:56 1984.169288 81.824911 BFGS: 229 14:53:56 1980.089320 81.535665 BFGS: 230 14:53:56 1975.991216 81.246430 BFGS: 231 14:53:56 1971.875075 80.957136 BFGS: 232 14:53:56 1967.740921 80.668078 BFGS: 233 14:53:56 1963.588909 80.378359 BFGS: 234 14:53:56 1959.418972 80.089808 BFGS: 235 14:53:56 1955.232458 79.800920 BFGS: 236 14:53:56 1951.028714 79.511259 BFGS: 237 14:53:56 1946.807744 79.220908 BFGS: 238 14:53:56 1942.569518 78.929836 BFGS: 239 14:53:57 1938.314010 78.638097 BFGS: 240 14:53:57 1934.041209 78.345666 BFGS: 241 14:53:57 1929.751104 78.052594 BFGS: 242 14:53:57 1925.443698 77.758857 BFGS: 243 14:53:57 1921.118996 77.464507 BFGS: 244 14:53:57 1916.777016 77.169521 BFGS: 245 14:53:57 1912.417779 76.873949 BFGS: 246 14:53:57 1908.041310 76.578065 BFGS: 247 14:53:57 1903.647727 76.281758 BFGS: 248 14:53:57 1899.236968 75.984989 BFGS: 249 14:53:57 1894.809097 75.687722 BFGS: 250 14:53:57 1890.364132 75.389911 BFGS: 251 14:53:57 1885.902145 75.091606 BFGS: 252 14:53:57 1881.423217 74.792791 BFGS: 253 14:53:57 1876.927432 74.493511 BFGS: 254 14:53:57 1872.414886 74.193755 BFGS: 255 14:53:57 1867.885679 73.893566 BFGS: 256 14:53:57 1863.339921 73.592934 BFGS: 257 14:53:57 1858.777729 73.291900 BFGS: 258 14:53:57 1854.199229 72.990457 BFGS: 259 14:53:57 1849.604551 72.692565 BFGS: 260 14:53:57 1844.993836 72.467007 BFGS: 261 14:53:57 1840.367232 72.240575 BFGS: 262 14:53:57 1835.724895 72.013290 BFGS: 263 14:53:57 1831.066986 71.785138 BFGS: 264 14:53:57 1826.393675 71.556138 BFGS: 265 14:53:57 1821.705141 71.326278 BFGS: 266 14:53:57 1817.001558 71.096516 BFGS: 267 14:53:58 1812.282694 70.866809 BFGS: 268 14:53:58 1807.549519 70.636440 BFGS: 269 14:53:58 1802.802702 70.406563 BFGS: 270 14:53:58 1798.043218 70.177432 BFGS: 271 14:53:58 1793.270110 69.948861 BFGS: 272 14:53:58 1788.483068 69.720389 BFGS: 273 14:53:58 1783.682266 69.491349 BFGS: 274 14:53:58 1778.868040 69.261647 BFGS: 275 14:53:58 1774.040678 69.031245 BFGS: 276 14:53:58 1769.200391 68.800177 BFGS: 277 14:53:58 1764.347411 68.568424 BFGS: 278 14:53:58 1759.481960 68.336015 BFGS: 279 14:53:58 1754.604277 68.102940 BFGS: 280 14:53:58 1749.714597 67.869221 BFGS: 281 14:53:58 1744.813171 67.634853 BFGS: 282 14:53:58 1739.900244 67.399866 BFGS: 283 14:53:58 1734.976021 67.164966 BFGS: 284 14:53:58 1730.041555 66.929980 BFGS: 285 14:53:58 1725.097603 66.694687 BFGS: 286 14:53:58 1720.144534 66.459571 BFGS: 287 14:53:58 1715.183353 66.223984 BFGS: 288 14:53:58 1710.214265 65.987947 BFGS: 289 14:53:58 1705.237701 65.751465 BFGS: 290 14:53:58 1700.254089 65.514551 BFGS: 291 14:53:59 1695.263619 65.278691 BFGS: 292 14:53:59 1690.265510 65.043260 BFGS: 293 14:53:59 1685.259761 64.809393 BFGS: 294 14:53:59 1680.245422 64.576412 BFGS: 295 14:53:59 1675.222267 64.343345 BFGS: 296 14:53:59 1670.190641 64.109873 BFGS: 297 14:53:59 1665.150904 63.875992 BFGS: 298 14:53:59 1660.103342 63.641711 BFGS: 299 14:53:59 1655.048239 63.407040 BFGS: 300 14:53:59 1649.985877 63.171990 BFGS: 301 14:53:59 1644.916543 62.936572 BFGS: 302 14:53:59 1639.840526 62.700798 BFGS: 303 14:53:59 1634.758118 62.464678 BFGS: 304 14:53:59 1629.669613 62.228224 BFGS: 305 14:53:59 1624.575308 61.991447 BFGS: 306 14:53:59 1619.475503 61.754360 BFGS: 307 14:53:59 1614.370499 61.516975 BFGS: 308 14:53:59 1609.260599 61.279303 BFGS: 309 14:53:59 1604.146108 61.041356 BFGS: 310 14:53:59 1599.027335 60.803147 BFGS: 311 14:53:59 1593.904587 60.564689 BFGS: 312 14:53:59 1588.778175 60.325994 BFGS: 313 14:53:59 1583.648410 60.087075 BFGS: 314 14:53:59 1578.515606 59.847944 BFGS: 315 14:53:59 1573.380075 59.608614 BFGS: 316 14:53:59 1568.242134 59.369098 BFGS: 317 14:54:00 1563.102097 59.129410 BFGS: 318 14:54:00 1557.960280 58.889561 BFGS: 319 14:54:00 1552.817001 58.649566 BFGS: 320 14:54:00 1547.672576 58.409438 BFGS: 321 14:54:00 1542.527322 58.169189 BFGS: 322 14:54:00 1537.381556 57.928833 BFGS: 323 14:54:00 1532.235597 57.688383 BFGS: 324 14:54:00 1527.089760 57.447853 BFGS: 325 14:54:00 1521.944363 57.207255 BFGS: 326 14:54:00 1516.799721 56.966603 BFGS: 327 14:54:00 1511.656151 56.725910 BFGS: 328 14:54:00 1506.513968 56.485190 BFGS: 329 14:54:00 1501.373486 56.244456 BFGS: 330 14:54:00 1496.235017 56.003720 BFGS: 331 14:54:00 1491.098875 55.762997 BFGS: 332 14:54:00 1485.965371 55.522299 BFGS: 333 14:54:00 1480.834814 55.281640 BFGS: 334 14:54:00 1475.707513 55.041032 BFGS: 335 14:54:00 1470.583774 54.800489 BFGS: 336 14:54:00 1465.463903 54.560024 BFGS: 337 14:54:00 1460.348204 54.319649 BFGS: 338 14:54:00 1455.236978 54.079378 BFGS: 339 14:54:00 1450.130526 53.839222 BFGS: 340 14:54:01 1445.029131 53.599840 BFGS: 341 14:54:01 1439.933397 53.361502 BFGS: 342 14:54:01 1434.843908 53.123761 BFGS: 343 14:54:01 1429.760833 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7.840213 BFGS: 768 14:54:09 299.998635 7.811141 BFGS: 769 14:54:09 299.046243 7.782160 BFGS: 770 14:54:09 298.097410 7.753270 BFGS: 771 14:54:09 297.152125 7.724471 BFGS: 772 14:54:09 296.210378 7.695762 BFGS: 773 14:54:09 295.272158 7.667143 BFGS: 774 14:54:09 294.337454 7.638613 BFGS: 775 14:54:09 293.406254 7.610172 BFGS: 776 14:54:09 292.478549 7.581819 BFGS: 777 14:54:09 291.554328 7.553555 BFGS: 778 14:54:09 290.633579 7.525379 BFGS: 779 14:54:09 289.716292 7.497290 BFGS: 780 14:54:09 288.802457 7.469289 BFGS: 781 14:54:09 287.892062 7.441374 BFGS: 782 14:54:09 286.985097 7.413546 BFGS: 783 14:54:09 286.081552 7.385804 BFGS: 784 14:54:09 285.181416 7.358147 BFGS: 785 14:54:09 284.284678 7.330576 BFGS: 786 14:54:09 283.391329 7.303090 BFGS: 787 14:54:09 282.501356 7.275689 BFGS: 788 14:54:09 281.614751 7.248372 BFGS: 789 14:54:10 280.731503 7.221139 BFGS: 790 14:54:10 279.851601 7.193990 BFGS: 791 14:54:10 278.975035 7.166924 BFGS: 792 14:54:10 278.101794 7.139941 BFGS: 793 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0.371446 BFGS: 1964 14:54:25 10.088562 0.370701 BFGS: 1965 14:54:25 10.058925 0.369958 BFGS: 1966 14:54:25 10.029345 0.369215 BFGS: 1967 14:54:25 9.999823 0.368474 BFGS: 1968 14:54:25 9.970359 0.367733 BFGS: 1969 14:54:25 9.940952 0.366994 BFGS: 1970 14:54:25 9.911604 0.366256 BFGS: 1971 14:54:25 9.882312 0.365518 BFGS: 1972 14:54:25 9.853079 0.364782 BFGS: 1973 14:54:25 9.823902 0.364047 BFGS: 1974 14:54:25 9.794783 0.363312 BFGS: 1975 14:54:25 9.765721 0.362579 BFGS: 1976 14:54:25 9.736716 0.361846 BFGS: 1977 14:54:25 9.707769 0.361115 BFGS: 1978 14:54:25 9.678878 0.360385 BFGS: 1979 14:54:25 9.650044 0.359656 BFGS: 1980 14:54:25 9.621268 0.358927 BFGS: 1981 14:54:25 9.592547 0.358200 BFGS: 1982 14:54:25 9.563884 0.357474 BFGS: 1983 14:54:25 9.535277 0.356748 BFGS: 1984 14:54:25 9.506727 0.356024 BFGS: 1985 14:54:25 9.478233 0.355301 BFGS: 1986 14:54:25 9.449796 0.354578 BFGS: 1987 14:54:25 9.421415 0.353857 BFGS: 1988 14:54:25 9.393090 0.353136 BFGS: 1989 14:54:25 9.364822 0.352417 BFGS: 1990 14:54:25 9.336609 0.351699 BFGS: 1991 14:54:25 9.308453 0.350981 BFGS: 1992 14:54:25 9.280352 0.350265 BFGS: 1993 14:54:25 9.252308 0.349549 BFGS: 1994 14:54:25 9.224319 0.348835 BFGS: 1995 14:54:25 9.196386 0.348121 BFGS: 1996 14:54:25 9.168509 0.347409 BFGS: 1997 14:54:25 9.140687 0.346697 BFGS: 1998 14:54:25 9.112921 0.345987 BFGS: 1999 14:54:25 9.085210 0.345277 BFGS: 2000 14:54:25 9.057555 0.344569 BFGS: 2001 14:54:25 9.029955 0.343861 BFGS: 2002 14:54:25 9.002410 0.343154 BFGS: 2003 14:54:25 8.974920 0.342449 BFGS: 2004 14:54:25 8.947485 0.341744 BFGS: 2005 14:54:25 8.920106 0.341040 BFGS: 2006 14:54:25 8.892781 0.340337 BFGS: 2007 14:54:25 8.865511 0.339635 BFGS: 2008 14:54:25 8.838296 0.338934 BFGS: 2009 14:54:25 8.811136 0.338234 BFGS: 2010 14:54:25 8.784030 0.337535 BFGS: 2011 14:54:25 8.756979 0.336837 BFGS: 2012 14:54:25 8.729983 0.336140 BFGS: 2013 14:54:25 8.703041 0.335444 BFGS: 2014 14:54:25 8.676153 0.334749 BFGS: 2015 14:54:25 8.649320 0.334054 BFGS: 2016 14:54:25 8.622540 0.333361 BFGS: 2017 14:54:25 8.595815 0.332669 BFGS: 2018 14:54:25 8.569144 0.331977 BFGS: 2019 14:54:26 8.542528 0.331287 BFGS: 2020 14:54:26 8.515965 0.330597 BFGS: 2021 14:54:26 8.489455 0.329909 BFGS: 2022 14:54:26 8.463000 0.329221 BFGS: 2023 14:54:26 8.436599 0.328534 BFGS: 2024 14:54:26 8.410251 0.327848 BFGS: 2025 14:54:26 8.383956 0.327163 BFGS: 2026 14:54:26 8.357716 0.326479 BFGS: 2027 14:54:26 8.331528 0.325796 BFGS: 2028 14:54:26 8.305394 0.325114 BFGS: 2029 14:54:26 8.279314 0.324433 BFGS: 2030 14:54:26 8.253286 0.323753 BFGS: 2031 14:54:26 8.227312 0.323073 BFGS: 2032 14:54:26 8.201391 0.322395 BFGS: 2033 14:54:26 8.175523 0.321717 BFGS: 2034 14:54:26 8.149708 0.321041 BFGS: 2035 14:54:26 8.123946 0.320365 BFGS: 2036 14:54:26 8.098237 0.319690 BFGS: 2037 14:54:26 8.072580 0.319017 BFGS: 2038 14:54:26 8.046976 0.318344 BFGS: 2039 14:54:26 8.021425 0.317672 BFGS: 2040 14:54:26 7.995926 0.317000 BFGS: 2041 14:54:26 7.970480 0.316330 BFGS: 2042 14:54:26 7.945086 0.315661 BFGS: 2043 14:54:26 7.919745 0.314993 BFGS: 2044 14:54:26 7.894456 0.314325 BFGS: 2045 14:54:26 7.869219 0.313658 BFGS: 2046 14:54:26 7.844034 0.312993 BFGS: 2047 14:54:26 7.818902 0.312328 BFGS: 2048 14:54:26 7.793821 0.311664 BFGS: 2049 14:54:26 7.768792 0.311001 BFGS: 2050 14:54:26 7.743816 0.310339 BFGS: 2051 14:54:26 7.718891 0.309678 BFGS: 2052 14:54:26 7.694017 0.309017 BFGS: 2053 14:54:26 7.669196 0.308358 BFGS: 2054 14:54:26 7.644426 0.307699 BFGS: 2055 14:54:26 7.619708 0.307042 BFGS: 2056 14:54:26 7.595041 0.306385 BFGS: 2057 14:54:26 7.570426 0.305729 BFGS: 2058 14:54:26 7.545861 0.305074 BFGS: 2059 14:54:26 7.521349 0.304420 BFGS: 2060 14:54:26 7.496887 0.303767 BFGS: 2061 14:54:26 7.472477 0.303114 BFGS: 2062 14:54:26 7.448117 0.302463 BFGS: 2063 14:54:26 7.423809 0.301812 BFGS: 2064 14:54:26 7.399552 0.301162 BFGS: 2065 14:54:26 7.375345 0.300513 BFGS: 2066 14:54:26 7.351190 0.299865 BFGS: 2067 14:54:26 7.327085 0.299218 BFGS: 2068 14:54:26 7.303031 0.298572 BFGS: 2069 14:54:26 7.279028 0.297927 BFGS: 2070 14:54:26 7.255075 0.297282 BFGS: 2071 14:54:26 7.231172 0.296638 BFGS: 2072 14:54:26 7.207320 0.295996 BFGS: 2073 14:54:26 7.183519 0.295354 BFGS: 2074 14:54:26 7.159767 0.294713 BFGS: 2075 14:54:26 7.136066 0.294072 BFGS: 2076 14:54:26 7.112416 0.293433 BFGS: 2077 14:54:26 7.088815 0.292795 BFGS: 2078 14:54:26 7.065264 0.292157 BFGS: 2079 14:54:26 7.041763 0.291520 BFGS: 2080 14:54:26 7.018313 0.290884 BFGS: 2081 14:54:26 6.994912 0.290249 BFGS: 2082 14:54:26 6.971561 0.289615 BFGS: 2083 14:54:26 6.948259 0.288981 BFGS: 2084 14:54:26 6.925008 0.288349 BFGS: 2085 14:54:26 6.901806 0.287717 BFGS: 2086 14:54:26 6.878653 0.287086 BFGS: 2087 14:54:26 6.855550 0.286456 BFGS: 2088 14:54:26 6.832497 0.285827 BFGS: 2089 14:54:26 6.809492 0.285199 BFGS: 2090 14:54:26 6.786537 0.284571 BFGS: 2091 14:54:26 6.763632 0.283945 BFGS: 2092 14:54:26 6.740775 0.283319 BFGS: 2093 14:54:26 6.717968 0.282694 BFGS: 2094 14:54:26 6.695209 0.282070 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5.557600 0.250148 BFGS: 2148 14:54:27 5.537400 0.249567 BFGS: 2149 14:54:27 5.517246 0.248987 BFGS: 2150 14:54:27 5.497138 0.248407 BFGS: 2151 14:54:27 5.477075 0.247829 BFGS: 2152 14:54:27 5.457058 0.247251 BFGS: 2153 14:54:27 5.437086 0.246673 BFGS: 2154 14:54:27 5.417160 0.246097 BFGS: 2155 14:54:27 5.397279 0.245521 BFGS: 2156 14:54:27 5.377444 0.244946 BFGS: 2157 14:54:27 5.357654 0.244372 BFGS: 2158 14:54:27 5.337910 0.243799 BFGS: 2159 14:54:27 5.318210 0.243226 BFGS: 2160 14:54:27 5.298556 0.242654 BFGS: 2161 14:54:27 5.278946 0.242083 BFGS: 2162 14:54:27 5.259382 0.241512 BFGS: 2163 14:54:27 5.239863 0.240943 BFGS: 2164 14:54:27 5.220388 0.240374 BFGS: 2165 14:54:27 5.200959 0.239806 BFGS: 2166 14:54:27 5.181574 0.239238 BFGS: 2167 14:54:27 5.162234 0.238671 BFGS: 2168 14:54:27 5.142939 0.238105 BFGS: 2169 14:54:27 5.123689 0.237540 BFGS: 2170 14:54:27 5.104483 0.236976 BFGS: 2171 14:54:27 5.085321 0.236412 BFGS: 2172 14:54:27 5.066204 0.235849 BFGS: 2173 14:54:27 5.047131 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14:54:28 4.098437 0.206513 BFGS: 2227 14:54:28 4.081684 0.205989 BFGS: 2228 14:54:28 4.064972 0.205466 BFGS: 2229 14:54:28 4.048302 0.204943 BFGS: 2230 14:54:28 4.031673 0.204421 BFGS: 2231 14:54:28 4.015085 0.203900 BFGS: 2232 14:54:28 3.998539 0.203379 BFGS: 2233 14:54:28 3.982034 0.202859 BFGS: 2234 14:54:28 3.965571 0.202339 BFGS: 2235 14:54:28 3.949148 0.201821 BFGS: 2236 14:54:28 3.932767 0.201303 BFGS: 2237 14:54:28 3.916426 0.200785 BFGS: 2238 14:54:28 3.900127 0.200269 BFGS: 2239 14:54:28 3.883869 0.199753 BFGS: 2240 14:54:28 3.867651 0.199238 BFGS: 2241 14:54:28 3.851475 0.198723 BFGS: 2242 14:54:28 3.835339 0.198209 BFGS: 2243 14:54:28 3.819244 0.197696 BFGS: 2244 14:54:28 3.803190 0.197183 BFGS: 2245 14:54:28 3.787176 0.196671 BFGS: 2246 14:54:28 3.771203 0.196159 BFGS: 2247 14:54:28 3.755271 0.195649 BFGS: 2248 14:54:28 3.739379 0.195139 BFGS: 2249 14:54:28 3.723528 0.194629 BFGS: 2250 14:54:28 3.707717 0.194121 BFGS: 2251 14:54:28 3.691946 0.193613 BFGS: 2252 14:54:28 3.676216 0.193105 BFGS: 2253 14:54:29 3.660526 0.192598 BFGS: 2254 14:54:29 3.644876 0.192092 BFGS: 2255 14:54:29 3.629267 0.191587 BFGS: 2256 14:54:29 3.613697 0.191082 BFGS: 2257 14:54:29 3.598168 0.190578 BFGS: 2258 14:54:29 3.582679 0.190074 BFGS: 2259 14:54:29 3.567230 0.189572 BFGS: 2260 14:54:29 3.551820 0.189069 BFGS: 2261 14:54:29 3.536451 0.188568 BFGS: 2262 14:54:29 3.521121 0.188067 BFGS: 2263 14:54:29 3.505831 0.187567 BFGS: 2264 14:54:29 3.490581 0.187067 BFGS: 2265 14:54:29 3.475371 0.186568 BFGS: 2266 14:54:29 3.460200 0.186070 BFGS: 2267 14:54:29 3.445069 0.185572 BFGS: 2268 14:54:29 3.429978 0.185075 BFGS: 2269 14:54:29 3.414926 0.184579 BFGS: 2270 14:54:29 3.399913 0.184083 BFGS: 2271 14:54:29 3.384940 0.183588 BFGS: 2272 14:54:29 3.370007 0.183093 BFGS: 2273 14:54:29 3.355112 0.182599 BFGS: 2274 14:54:29 3.340257 0.182106 BFGS: 2275 14:54:29 3.325441 0.181613 BFGS: 2276 14:54:29 3.310664 0.181121 BFGS: 2277 14:54:29 3.295927 0.180630 BFGS: 2278 14:54:29 3.281228 0.180139 BFGS: 2279 14:54:29 3.266569 0.179649 BFGS: 2280 14:54:29 3.251948 0.179160 BFGS: 2281 14:54:29 3.237367 0.178671 BFGS: 2282 14:54:29 3.222824 0.178183 BFGS: 2283 14:54:29 3.208320 0.177695 BFGS: 2284 14:54:29 3.193855 0.177208 BFGS: 2285 14:54:29 3.179429 0.176722 BFGS: 2286 14:54:29 3.165042 0.176236 BFGS: 2287 14:54:29 3.150693 0.175751 BFGS: 2288 14:54:29 3.136383 0.175267 BFGS: 2289 14:54:29 3.122111 0.174783 BFGS: 2290 14:54:29 3.107878 0.174300 BFGS: 2291 14:54:29 3.093684 0.173817 BFGS: 2292 14:54:29 3.079527 0.173335 BFGS: 2293 14:54:29 3.065410 0.172854 BFGS: 2294 14:54:29 3.051330 0.172373 BFGS: 2295 14:54:29 3.037289 0.171893 BFGS: 2296 14:54:29 3.023286 0.171413 BFGS: 2297 14:54:29 3.009322 0.170934 BFGS: 2298 14:54:29 2.995395 0.170456 BFGS: 2299 14:54:29 2.981507 0.169978 BFGS: 2300 14:54:29 2.967657 0.169501 BFGS: 2301 14:54:29 2.953844 0.169025 BFGS: 2302 14:54:29 2.940070 0.168549 BFGS: 2303 14:54:29 2.926334 0.168074 BFGS: 2304 14:54:29 2.912635 0.167599 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0.131946 BFGS: 2384 14:54:30 1.935660 0.131517 BFGS: 2385 14:54:30 1.924887 0.131089 BFGS: 2386 14:54:30 1.914148 0.130661 BFGS: 2387 14:54:30 1.903444 0.130234 BFGS: 2388 14:54:30 1.892774 0.129807 BFGS: 2389 14:54:30 1.882139 0.129381 BFGS: 2390 14:54:30 1.871538 0.128955 BFGS: 2391 14:54:30 1.860970 0.128530 BFGS: 2392 14:54:30 1.850438 0.128106 BFGS: 2393 14:54:30 1.839939 0.127682 BFGS: 2394 14:54:30 1.829474 0.127258 BFGS: 2395 14:54:30 1.819043 0.126835 BFGS: 2396 14:54:30 1.808647 0.126413 BFGS: 2397 14:54:30 1.798284 0.125991 BFGS: 2398 14:54:30 1.787955 0.125570 BFGS: 2399 14:54:30 1.777661 0.125149 BFGS: 2400 14:54:30 1.767400 0.124728 BFGS: 2401 14:54:30 1.757172 0.124309 BFGS: 2402 14:54:30 1.746979 0.123889 BFGS: 2403 14:54:30 1.736819 0.123471 BFGS: 2404 14:54:30 1.726693 0.123053 BFGS: 2405 14:54:30 1.716601 0.122635 BFGS: 2406 14:54:31 1.706543 0.122218 BFGS: 2407 14:54:31 1.696517 0.121801 BFGS: 2408 14:54:31 1.686526 0.121385 BFGS: 2409 14:54:31 1.676568 0.120970 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14:54:31 1.420226 0.109944 BFGS: 2437 14:54:31 1.411191 0.109543 BFGS: 2438 14:54:31 1.402188 0.109142 BFGS: 2439 14:54:31 1.393217 0.108742 BFGS: 2440 14:54:31 1.384279 0.108342 BFGS: 2441 14:54:31 1.375373 0.107943 BFGS: 2442 14:54:31 1.366499 0.107545 BFGS: 2443 14:54:31 1.357658 0.107146 BFGS: 2444 14:54:31 1.348848 0.106749 BFGS: 2445 14:54:31 1.340071 0.106351 BFGS: 2446 14:54:31 1.331326 0.105955 BFGS: 2447 14:54:31 1.322613 0.105558 BFGS: 2448 14:54:31 1.313932 0.105163 BFGS: 2449 14:54:31 1.305283 0.104767 BFGS: 2450 14:54:31 1.296666 0.104373 BFGS: 2451 14:54:31 1.288081 0.103978 BFGS: 2452 14:54:31 1.279528 0.103585 BFGS: 2453 14:54:31 1.271007 0.103191 BFGS: 2454 14:54:31 1.262517 0.102799 BFGS: 2455 14:54:31 1.254060 0.102406 BFGS: 2456 14:54:31 1.245634 0.102014 BFGS: 2457 14:54:31 1.237239 0.101623 BFGS: 2458 14:54:31 1.228877 0.101232 BFGS: 2459 14:54:31 1.220546 0.100842 BFGS: 2460 14:54:31 1.212247 0.100452 BFGS: 2461 14:54:31 1.203979 0.100063 BFGS: 2462 14:54:31 1.195743 0.099674 BFGS: 2463 14:54:31 1.187538 0.099285 BFGS: 2464 14:54:31 1.179364 0.098898 BFGS: 2465 14:54:31 1.171223 0.098510 BFGS: 2466 14:54:31 1.163112 0.098123 BFGS: 2467 14:54:31 1.155033 0.097737 BFGS: 2468 14:54:31 1.146985 0.097351 BFGS: 2469 14:54:31 1.138969 0.096965 BFGS: 2470 14:54:31 1.130983 0.096580 BFGS: 2471 14:54:31 1.123029 0.096196 BFGS: 2472 14:54:31 1.115106 0.095812 BFGS: 2473 14:54:31 1.107214 0.095428 BFGS: 2474 14:54:31 1.099354 0.095045 BFGS: 2475 14:54:31 1.091524 0.094662 BFGS: 2476 14:54:31 1.083726 0.094280 BFGS: 2477 14:54:31 1.075958 0.093898 BFGS: 2478 14:54:31 1.068221 0.093517 BFGS: 2479 14:54:31 1.060516 0.093136 BFGS: 2480 14:54:31 1.052841 0.092756 BFGS: 2481 14:54:31 1.045197 0.092376 BFGS: 2482 14:54:31 1.037584 0.091997 BFGS: 2483 14:54:31 1.030001 0.091618 BFGS: 2484 14:54:31 1.022450 0.091240 BFGS: 2485 14:54:31 1.014929 0.090862 BFGS: 2486 14:54:31 1.007439 0.090484 BFGS: 2487 14:54:31 0.999979 0.090108 BFGS: 2488 14:54:31 0.992550 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BFGS: 2515 14:54:32 0.803414 0.079740 BFGS: 2516 14:54:32 0.796829 0.079377 BFGS: 2517 14:54:32 0.790272 0.079014 BFGS: 2518 14:54:32 0.783746 0.078651 BFGS: 2519 14:54:32 0.777249 0.078289 BFGS: 2520 14:54:32 0.770782 0.077927 BFGS: 2521 14:54:32 0.764344 0.077565 BFGS: 2522 14:54:32 0.757935 0.077204 BFGS: 2523 14:54:32 0.751556 0.076844 BFGS: 2524 14:54:32 0.745207 0.076484 BFGS: 2525 14:54:32 0.738887 0.076124 BFGS: 2526 14:54:32 0.732596 0.075765 BFGS: 2527 14:54:32 0.726334 0.075406 BFGS: 2528 14:54:32 0.720102 0.075048 BFGS: 2529 14:54:32 0.713899 0.074690 BFGS: 2530 14:54:32 0.707725 0.074333 BFGS: 2531 14:54:32 0.701580 0.073976 BFGS: 2532 14:54:32 0.695464 0.073619 BFGS: 2533 14:54:32 0.689378 0.073263 BFGS: 2534 14:54:32 0.683320 0.072908 BFGS: 2535 14:54:32 0.677292 0.072553 BFGS: 2536 14:54:32 0.671292 0.072198 BFGS: 2537 14:54:32 0.665322 0.071843 BFGS: 2538 14:54:32 0.659380 0.071490 BFGS: 2539 14:54:32 0.653468 0.071136 BFGS: 2540 14:54:32 0.647584 0.070783 BFGS: 2541 14:54:32 0.641729 0.070431 BFGS: 2542 14:54:32 0.635903 0.070079 BFGS: 2543 14:54:32 0.630106 0.069727 BFGS: 2544 14:54:32 0.624337 0.069376 BFGS: 2545 14:54:32 0.618597 0.069025 BFGS: 2546 14:54:32 0.612886 0.068674 BFGS: 2547 14:54:32 0.607204 0.068324 BFGS: 2548 14:54:32 0.601550 0.067975 BFGS: 2549 14:54:32 0.595925 0.067626 BFGS: 2550 14:54:32 0.590328 0.067277 BFGS: 2551 14:54:32 0.584760 0.066929 BFGS: 2552 14:54:32 0.579220 0.066581 BFGS: 2553 14:54:32 0.573708 0.066234 BFGS: 2554 14:54:32 0.568226 0.065887 BFGS: 2555 14:54:32 0.562771 0.065540 BFGS: 2556 14:54:32 0.557345 0.065194 BFGS: 2557 14:54:32 0.551947 0.064849 BFGS: 2558 14:54:32 0.546578 0.064503 BFGS: 2559 14:54:32 0.541237 0.064158 BFGS: 2560 14:54:32 0.535924 0.063814 BFGS: 2561 14:54:32 0.530639 0.063470 BFGS: 2562 14:54:32 0.525382 0.063127 BFGS: 2563 14:54:32 0.520154 0.062783 BFGS: 2564 14:54:32 0.514954 0.062441 BFGS: 2565 14:54:32 0.509781 0.062098 BFGS: 2566 14:54:32 0.504637 0.061757 BFGS: 2567 14:54:32 0.499521 0.061415 BFGS: 2568 14:54:32 0.494433 0.061074 BFGS: 2569 14:54:32 0.489373 0.060734 BFGS: 2570 14:54:32 0.484340 0.060393 BFGS: 2571 14:54:32 0.479336 0.060054 BFGS: 2572 14:54:32 0.474359 0.059714 BFGS: 2573 14:54:32 0.469411 0.059375 BFGS: 2574 14:54:32 0.464490 0.059037 BFGS: 2575 14:54:32 0.459597 0.058699 BFGS: 2576 14:54:32 0.454731 0.058361 BFGS: 2577 14:54:32 0.449894 0.058024 BFGS: 2578 14:54:32 0.445084 0.057687 BFGS: 2579 14:54:32 0.440301 0.057351 BFGS: 2580 14:54:32 0.435546 0.057015 BFGS: 2581 14:54:32 0.430819 0.056679 BFGS: 2582 14:54:32 0.426120 0.056344 BFGS: 2583 14:54:32 0.421448 0.056009 BFGS: 2584 14:54:32 0.416803 0.055675 BFGS: 2585 14:54:32 0.412186 0.055341 BFGS: 2586 14:54:33 0.407596 0.055007 BFGS: 2587 14:54:33 0.403034 0.054674 BFGS: 2588 14:54:33 0.398499 0.054342 BFGS: 2589 14:54:33 0.393992 0.054009 BFGS: 2590 14:54:33 0.389511 0.053677 BFGS: 2591 14:54:33 0.385059 0.053346 BFGS: 2592 14:54:33 0.380633 0.053015 BFGS: 2593 14:54:33 0.376234 0.052684 BFGS: 2594 14:54:33 0.371863 0.052354 BFGS: 2595 14:54:33 0.367519 0.052024 BFGS: 2596 14:54:33 0.363202 0.051694 BFGS: 2597 14:54:33 0.358912 0.051365 BFGS: 2598 14:54:33 0.354650 0.051037 BFGS: 2599 14:54:33 0.350414 0.050709 BFGS: 2600 14:54:33 0.346205 0.050381 BFGS: 2601 14:54:33 0.342023 0.050053 BFGS: 2602 14:54:33 0.337869 0.049726 BFGS: 2603 14:54:33 0.333741 0.049400 BFGS: 2604 14:54:33 0.329640 0.049073 BFGS: 2605 14:54:33 0.325566 0.048747 BFGS: 2606 14:54:33 0.321519 0.048422 BFGS: 2607 14:54:33 0.317498 0.048097 BFGS: 2608 14:54:33 0.313504 0.047772 BFGS: 2609 14:54:33 0.309538 0.047448 BFGS: 2610 14:54:33 0.305597 0.047124 BFGS: 2611 14:54:33 0.301684 0.046801 BFGS: 2612 14:54:33 0.297797 0.046478 BFGS: 2613 14:54:33 0.293937 0.046155 BFGS: 2614 14:54:33 0.290103 0.045833 BFGS: 2615 14:54:33 0.286296 0.045511 BFGS: 2616 14:54:33 0.282516 0.045190 BFGS: 2617 14:54:33 0.278762 0.044868 BFGS: 2618 14:54:33 0.275034 0.044548 BFGS: 2619 14:54:33 0.271333 0.044227 BFGS: 2620 14:54:33 0.267659 0.043908 BFGS: 2621 14:54:33 0.264011 0.043588 BFGS: 2622 14:54:33 0.260389 0.043269 BFGS: 2623 14:54:33 0.256794 0.042950 BFGS: 2624 14:54:33 0.253224 0.042632 BFGS: 2625 14:54:33 0.249682 0.042314 BFGS: 2626 14:54:33 0.246165 0.041996 BFGS: 2627 14:54:33 0.242675 0.041679 BFGS: 2628 14:54:33 0.239210 0.041362 BFGS: 2629 14:54:33 0.235772 0.041046 BFGS: 2630 14:54:33 0.232361 0.040730 BFGS: 2631 14:54:33 0.228975 0.040414 BFGS: 2632 14:54:33 0.225615 0.040099 BFGS: 2633 14:54:33 0.222282 0.039784 BFGS: 2634 14:54:33 0.218974 0.039470 BFGS: 2635 14:54:33 0.215692 0.039156 BFGS: 2636 14:54:33 0.212437 0.038842 BFGS: 2637 14:54:33 0.209207 0.038529 BFGS: 2638 14:54:33 0.206003 0.038216 BFGS: 2639 14:54:33 0.202826 0.037903 BFGS: 2640 14:54:33 0.199674 0.037591 BFGS: 2641 14:54:33 0.196547 0.037279 BFGS: 2642 14:54:33 0.193447 0.036968 BFGS: 2643 14:54:33 0.190373 0.036657 BFGS: 2644 14:54:33 0.187324 0.036346 BFGS: 2645 14:54:33 0.184301 0.036036 BFGS: 2646 14:54:33 0.181303 0.035726 BFGS: 2647 14:54:33 0.178331 0.035417 BFGS: 2648 14:54:33 0.175385 0.035108 BFGS: 2649 14:54:33 0.172465 0.034799 BFGS: 2650 14:54:33 0.169570 0.034491 BFGS: 2651 14:54:33 0.166700 0.034183 BFGS: 2652 14:54:33 0.163857 0.033875 BFGS: 2653 14:54:33 0.161038 0.033568 BFGS: 2654 14:54:33 0.158245 0.033261 BFGS: 2655 14:54:33 0.155478 0.032954 BFGS: 2656 14:54:33 0.152736 0.032648 BFGS: 2657 14:54:33 0.150019 0.032342 BFGS: 2658 14:54:33 0.147328 0.032037 BFGS: 2659 14:54:33 0.144662 0.031732 BFGS: 2660 14:54:33 0.142021 0.031427 BFGS: 2661 14:54:33 0.139406 0.031123 BFGS: 2662 14:54:33 0.136816 0.030819 BFGS: 2663 14:54:33 0.134251 0.030516 BFGS: 2664 14:54:33 0.131711 0.030213 BFGS: 2665 14:54:33 0.129196 0.029910 BFGS: 2666 14:54:33 0.126707 0.029608 BFGS: 2667 14:54:33 0.124243 0.029305 BFGS: 2668 14:54:33 0.121804 0.029004 BFGS: 2669 14:54:33 0.119389 0.028703 BFGS: 2670 14:54:33 0.117000 0.028402 BFGS: 2671 14:54:33 0.114636 0.028101 BFGS: 2672 14:54:33 0.112297 0.027801 BFGS: 2673 14:54:34 0.109983 0.027501 BFGS: 2674 14:54:34 0.107693 0.027202 BFGS: 2675 14:54:34 0.105429 0.026902 BFGS: 2676 14:54:34 0.103190 0.026604 BFGS: 2677 14:54:34 0.100975 0.026305 BFGS: 2678 14:54:34 0.098785 0.026007 BFGS: 2679 14:54:34 0.096620 0.025710 BFGS: 2680 14:54:34 0.094480 0.025412 BFGS: 2681 14:54:34 0.092364 0.025115 BFGS: 2682 14:54:34 0.090273 0.024819 BFGS: 2683 14:54:34 0.088207 0.024523 BFGS: 2684 14:54:34 0.086166 0.024227 BFGS: 2685 14:54:34 0.084149 0.023931 BFGS: 2686 14:54:34 0.082156 0.023636 BFGS: 2687 14:54:34 0.080189 0.023341 BFGS: 2688 14:54:34 0.078245 0.023047 BFGS: 2689 14:54:34 0.076327 0.022753 BFGS: 2690 14:54:34 0.074433 0.022459 BFGS: 2691 14:54:34 0.072563 0.022166 BFGS: 2692 14:54:34 0.070718 0.021873 BFGS: 2693 14:54:34 0.068897 0.021580 BFGS: 2694 14:54:34 0.067100 0.021288 BFGS: 2695 14:54:34 0.065328 0.020996 BFGS: 2696 14:54:34 0.063581 0.020705 BFGS: 2697 14:54:34 0.061857 0.020413 BFGS: 2698 14:54:34 0.060158 0.020123 BFGS: 2699 14:54:34 0.058483 0.019832 BFGS: 2700 14:54:34 0.056833 0.019542 BFGS: 2701 14:54:34 0.055206 0.019252 BFGS: 2702 14:54:34 0.053604 0.018963 BFGS: 2703 14:54:34 0.052026 0.018674 BFGS: 2704 14:54:34 0.050472 0.018385 BFGS: 2705 14:54:34 0.048942 0.018096 BFGS: 2706 14:54:34 0.047436 0.017808 BFGS: 2707 14:54:34 0.045955 0.017521 BFGS: 2708 14:54:34 0.044497 0.017233 BFGS: 2709 14:54:34 0.043063 0.016946 BFGS: 2710 14:54:34 0.041654 0.016660 BFGS: 2711 14:54:34 0.040268 0.016373 BFGS: 2712 14:54:34 0.038906 0.016088 BFGS: 2713 14:54:34 0.037568 0.015802 BFGS: 2714 14:54:34 0.036254 0.015517 BFGS: 2715 14:54:34 0.034964 0.015232 BFGS: 2716 14:54:34 0.033698 0.014947 BFGS: 2717 14:54:34 0.032455 0.014663 BFGS: 2718 14:54:34 0.031236 0.014379 BFGS: 2719 14:54:34 0.030041 0.014096 BFGS: 2720 14:54:34 0.028870 0.013812 BFGS: 2721 14:54:34 0.027722 0.013529 BFGS: 2722 14:54:34 0.026598 0.013247 BFGS: 2723 14:54:34 0.025498 0.012965 BFGS: 2724 14:54:34 0.024421 0.012683 BFGS: 2725 14:54:34 0.023368 0.012401 BFGS: 2726 14:54:34 0.022339 0.012120 BFGS: 2727 14:54:34 0.021333 0.011839 BFGS: 2728 14:54:34 0.020350 0.011559 BFGS: 2729 14:54:34 0.019391 0.011279 BFGS: 2730 14:54:34 0.018456 0.010999 BFGS: 2731 14:54:34 0.017544 0.010720 BFGS: 2732 14:54:34 0.016655 0.010440 BFGS: 2733 14:54:34 0.015790 0.010162 BFGS: 2734 14:54:34 0.014948 0.009883 BFGS: 2735 14:54:34 0.014130 0.009605 BFGS: 2736 14:54:34 0.013335 0.009327 BFGS: 2737 14:54:34 0.012563 0.009050 BFGS: 2738 14:54:34 0.011814 0.008773 BFGS: 2739 14:54:34 0.011089 0.008496 BFGS: 2740 14:54:34 0.010387 0.008220 BFGS: 2741 14:54:34 0.009708 0.007943 BFGS: 2742 14:54:34 0.009052 0.007668 BFGS: 2743 14:54:34 0.008419 0.007392 BFGS: 2744 14:54:34 0.007810 0.007117 BFGS: 2745 14:54:34 0.007223 0.006842 BFGS: 2746 14:54:34 0.006660 0.006568 BFGS: 2747 14:54:34 0.006120 0.006294 BFGS: 2748 14:54:34 0.005603 0.006020 BFGS: 2749 14:54:34 0.005108 0.005746 BFGS: 2750 14:54:34 0.004637 0.005473 BFGS: 2751 14:54:34 0.004189 0.005200 BFGS: 2752 14:54:34 0.003764 0.004928 BFGS: 2753 14:54:34 0.003361 0.004655 BFGS: 2754 14:54:34 0.002982 0.004384 BFGS: 2755 14:54:34 0.002625 0.004112 BFGS: 2756 14:54:34 0.002291 0.003841 BFGS: 2757 14:54:34 0.001980 0.003570 BFGS: 2758 14:54:34 0.001692 0.003299 BFGS: 2759 14:54:34 0.001426 0.003029 BFGS: 2760 14:54:34 0.001183 0.002759 BFGS: 2761 14:54:34 0.000963 0.002489 BFGS: 2762 14:54:34 0.000766 0.002220 BFGS: 2763 14:54:34 0.000591 0.001951 BFGS: 2764 14:54:34 0.000439 0.001808 BFGS: 2765 14:54:34 0.000310 0.001697 BFGS: 2766 14:54:35 0.000203 0.001585 BFGS: 2767 14:54:35 0.000119 0.001470 BFGS: 2768 14:54:35 0.000057 0.001352 BFGS: 2769 14:54:35 0.000018 0.001230 BFGS: 2770 14:54:35 0.000001 0.001100 BFGS: 2771 14:54:35 0.000000 0.000761 BFGS: 2772 14:54:35 0.000000 0.000470 BFGS: 2773 14:54:35 0.000000 0.000274 BFGS: 2774 14:54:35 0.000000 0.000088 BFGS: 2775 14:54:35 0.000000 0.000000 Minimization converged after 2775 steps. Maximum force component: 1.3032007548416065e-09 eV/Angstrom Maximum stress component: 1.7801984601983622e-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 = [[1.85352260e-29 3.95147962e-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 3.31642039e-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 0.00000000e+00 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 8.46745632e-30 8.78965691e-01] [0.00000000e+00 1.58764806e-30 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 0.00000000e+00 9.21031949e-01] [0.00000000e+00 2.64608010e-31 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([[10.32733036007997, -4.961134215306175e-16, -1.3676645237698952e-14], [-5.163665180039983, 8.943730445103544, 1.3689669357678752e-14], [-1.2117648751659525e-13, 6.967552926091703e-14, 174.76106818352628]]) forces = [[-9.03618247e-25 5.19573400e-25 1.30320075e-09] [ 9.03618247e-25 -5.19573400e-25 -1.30320075e-09] [-9.03618247e-25 5.19573400e-25 1.30320075e-09] [ 9.03618247e-25 -5.19573400e-25 -1.30320075e-09] [-9.03618247e-25 5.19573400e-25 1.30320075e-09] [ 9.03618247e-25 -5.19573400e-25 -1.30320075e-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 = [-1.21385201e-41 -1.12702202e-41 -1.78019846e-12 8.83023438e-28 -1.52495133e-27 7.56414410e-43] 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