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 15:46:44 3964.643895 208.8102 BFGS: 1 15:46:45 3933.297542 206.0166 BFGS: 2 15:46:45 3905.028452 204.9583 BFGS: 3 15:46:45 3874.818027 202.7801 BFGS: 4 15:46:45 3845.154286 200.1654 BFGS: 5 15:46:45 3815.750398 198.3144 BFGS: 6 15:46:45 3786.691166 195.4621 BFGS: 7 15:46:45 3758.393020 194.0504 BFGS: 8 15:46:45 3729.886188 192.0339 BFGS: 9 15:46:45 3701.719622 190.0849 BFGS: 10 15:46:45 3673.840596 188.1577 BFGS: 11 15:46:45 3646.246261 186.2534 BFGS: 12 15:46:45 3618.932283 184.3717 BFGS: 13 15:46:45 3591.911660 182.5130 BFGS: 14 15:46:45 3565.188248 180.6777 BFGS: 15 15:46:45 3538.781626 178.8667 BFGS: 16 15:46:45 3512.715766 177.0826 BFGS: 17 15:46:45 3486.999721 175.3327 BFGS: 18 15:46:45 3461.618866 173.6100 BFGS: 19 15:46:45 3436.573781 171.9133 BFGS: 20 15:46:45 3411.865083 170.2421 BFGS: 21 15:46:45 3387.493975 168.5957 BFGS: 22 15:46:45 3363.461847 166.9741 BFGS: 23 15:46:45 3339.769988 165.3773 BFGS: 24 15:46:45 3316.419635 163.8052 BFGS: 25 15:46:45 3293.411974 162.2577 BFGS: 26 15:46:45 3270.748124 160.7348 BFGS: 27 15:46:45 3248.429114 159.2365 BFGS: 28 15:46:45 3226.455861 157.7628 BFGS: 29 15:46:45 3204.829742 156.3170 BFGS: 30 15:46:45 3183.568373 154.8969 BFGS: 31 15:46:45 3162.677498 153.5021 BFGS: 32 15:46:45 3142.157970 152.1330 BFGS: 33 15:46:45 3122.010254 150.7893 BFGS: 34 15:46:45 3102.234494 149.4711 BFGS: 35 15:46:45 3082.830499 148.1782 BFGS: 36 15:46:45 3063.797719 146.9106 BFGS: 37 15:46:45 3045.135225 145.6679 BFGS: 38 15:46:45 3026.841703 144.4502 BFGS: 39 15:46:45 3008.915442 143.2571 BFGS: 40 15:46:45 2991.355138 142.0887 BFGS: 41 15:46:45 2974.173654 140.9452 BFGS: 42 15:46:45 2957.369681 139.8275 BFGS: 43 15:46:45 2940.949390 138.7355 BFGS: 44 15:46:45 2924.910848 137.6985 BFGS: 45 15:46:45 2909.262080 136.7631 BFGS: 46 15:46:45 2894.007757 135.8560 BFGS: 47 15:46:45 2879.144947 134.9774 BFGS: 48 15:46:45 2864.669954 134.1263 BFGS: 49 15:46:46 2850.575863 133.3028 BFGS: 50 15:46:46 2836.853179 132.5055 BFGS: 51 15:46:46 2823.491917 131.7342 BFGS: 52 15:46:46 2810.483015 130.9877 BFGS: 53 15:46:46 2797.818761 130.2650 BFGS: 54 15:46:46 2785.483454 129.5661 BFGS: 55 15:46:46 2773.465713 128.8885 BFGS: 56 15:46:46 2761.753989 128.2311 BFGS: 57 15:46:46 2750.340871 127.5934 BFGS: 58 15:46:46 2739.218785 126.9749 BFGS: 59 15:46:46 2728.380043 126.3750 BFGS: 60 15:46:46 2717.816827 125.7965 BFGS: 61 15:46:46 2707.526738 125.2383 BFGS: 62 15:46:46 2697.505713 124.6975 BFGS: 63 15:46:46 2687.745723 124.1734 BFGS: 64 15:46:46 2678.238565 123.6655 BFGS: 65 15:46:46 2668.976037 123.1730 BFGS: 66 15:46:46 2659.949994 122.6953 BFGS: 67 15:46:46 2651.152382 122.2318 BFGS: 68 15:46:46 2642.575256 121.7820 BFGS: 69 15:46:46 2634.210797 121.3450 BFGS: 70 15:46:46 2626.051334 120.9206 BFGS: 71 15:46:46 2618.089348 120.5079 BFGS: 72 15:46:46 2610.317490 120.1066 BFGS: 73 15:46:46 2602.728588 119.7160 BFGS: 74 15:46:46 2595.315640 119.3367 BFGS: 75 15:46:46 2588.071964 118.9688 BFGS: 76 15:46:46 2580.991269 118.6102 BFGS: 77 15:46:46 2574.067087 118.2605 BFGS: 78 15:46:47 2567.293170 117.9203 BFGS: 79 15:46:47 2560.663663 117.5879 BFGS: 80 15:46:47 2554.172794 117.2631 BFGS: 81 15:46:47 2547.814943 116.9452 BFGS: 82 15:46:47 2541.584678 116.6341 BFGS: 83 15:46:47 2535.476765 116.3292 BFGS: 84 15:46:47 2529.486163 116.0303 BFGS: 85 15:46:47 2523.608028 115.7369 BFGS: 86 15:46:48 2517.837700 115.4488 BFGS: 87 15:46:48 2512.170706 115.1656 BFGS: 88 15:46:48 2506.602751 114.8870 BFGS: 89 15:46:48 2501.129716 114.6128 BFGS: 90 15:46:48 2495.747648 114.3426 BFGS: 91 15:46:48 2490.452749 114.0775 BFGS: 92 15:46:48 2485.242128 113.8181 BFGS: 93 15:46:48 2480.113550 113.5651 BFGS: 94 15:46:48 2475.065406 113.3198 BFGS: 95 15:46:48 2470.096734 113.0800 BFGS: 96 15:46:48 2465.205451 112.8434 BFGS: 97 15:46:48 2460.388216 112.6098 BFGS: 98 15:46:48 2455.641874 112.3789 BFGS: 99 15:46:48 2450.963394 112.1505 BFGS: 100 15:46:48 2446.349894 111.9244 BFGS: 101 15:46:48 2441.798613 111.7004 BFGS: 102 15:46:48 2437.306924 111.4784 BFGS: 103 15:46:48 2432.872308 111.2581 BFGS: 104 15:46:48 2428.492368 111.0395 BFGS: 105 15:46:48 2424.164808 110.8224 BFGS: 106 15:46:48 2419.887440 110.6066 BFGS: 107 15:46:48 2415.658165 110.3920 BFGS: 108 15:46:48 2411.474986 110.1785 BFGS: 109 15:46:48 2407.335979 109.9664 BFGS: 110 15:46:48 2403.239442 109.7572 BFGS: 111 15:46:48 2399.184642 109.5492 BFGS: 112 15:46:49 2395.169766 109.3420 BFGS: 113 15:46:49 2391.193111 109.1355 BFGS: 114 15:46:49 2387.253109 108.9310 BFGS: 115 15:46:49 2383.348386 108.7270 BFGS: 116 15:46:49 2379.477565 108.5244 BFGS: 117 15:46:49 2375.639260 108.3235 BFGS: 118 15:46:49 2371.832449 108.1227 BFGS: 119 15:46:49 2368.055795 107.9220 BFGS: 120 15:46:49 2364.308160 107.7215 BFGS: 121 15:46:49 2360.588143 107.5208 BFGS: 122 15:46:49 2356.894755 107.3202 BFGS: 123 15:46:49 2353.226496 107.1194 BFGS: 124 15:46:49 2349.582555 106.9186 BFGS: 125 15:46:49 2345.961206 106.7172 BFGS: 126 15:46:49 2342.361897 106.5159 BFGS: 127 15:46:49 2338.782988 106.3139 BFGS: 128 15:46:49 2335.224285 106.1118 BFGS: 129 15:46:49 2331.684534 105.9089 BFGS: 130 15:46:49 2328.163384 105.7058 BFGS: 131 15:46:49 2324.659755 105.5020 BFGS: 132 15:46:49 2321.173060 105.2977 BFGS: 133 15:46:49 2317.702352 105.0928 BFGS: 134 15:46:49 2314.246952 104.8873 BFGS: 135 15:46:49 2310.806011 104.6811 BFGS: 136 15:46:49 2307.378834 104.4743 BFGS: 137 15:46:50 2303.964641 104.2668 BFGS: 138 15:46:50 2300.562540 104.0585 BFGS: 139 15:46:50 2297.171742 103.8494 BFGS: 140 15:46:50 2293.791023 103.6395 BFGS: 141 15:46:50 2290.419751 103.4286 BFGS: 142 15:46:50 2287.057123 103.2169 BFGS: 143 15:46:50 2283.702076 103.0041 BFGS: 144 15:46:50 2280.354071 102.7904 BFGS: 145 15:46:50 2277.012419 102.5790 BFGS: 146 15:46:50 2273.676868 102.3662 BFGS: 147 15:46:50 2270.347152 102.1524 BFGS: 148 15:46:50 2267.022694 101.9375 BFGS: 149 15:46:50 2263.702921 101.7217 BFGS: 150 15:46:50 2260.387263 101.5048 BFGS: 151 15:46:50 2257.075164 101.2868 BFGS: 152 15:46:50 2253.766012 101.0704 BFGS: 153 15:46:50 2250.460526 100.8546 BFGS: 154 15:46:50 2247.158203 100.6407 BFGS: 155 15:46:50 2243.859561 100.4263 BFGS: 156 15:46:50 2240.563614 100.2108 BFGS: 157 15:46:50 2237.269857 99.9943 BFGS: 158 15:46:50 2233.977779 99.7768 BFGS: 159 15:46:50 2230.686878 99.5582 BFGS: 160 15:46:50 2227.396654 99.3385 BFGS: 161 15:46:50 2224.106623 99.1177 BFGS: 162 15:46:50 2220.816295 98.8958 BFGS: 163 15:46:50 2217.525201 98.6727 BFGS: 164 15:46:50 2214.232862 98.4486 BFGS: 165 15:46:50 2210.938822 98.2233 BFGS: 166 15:46:50 2207.642612 97.9969 BFGS: 167 15:46:50 2204.343792 97.7693 BFGS: 168 15:46:50 2201.041901 97.5405 BFGS: 169 15:46:50 2197.736515 97.3106 BFGS: 170 15:46:50 2194.427177 97.0794 BFGS: 171 15:46:50 2191.113485 96.8471 BFGS: 172 15:46:50 2187.794986 96.6136 BFGS: 173 15:46:50 2184.471304 96.3789 BFGS: 174 15:46:50 2181.141992 96.1431 BFGS: 175 15:46:50 2177.806711 95.9059 BFGS: 176 15:46:50 2174.465023 95.6676 BFGS: 177 15:46:50 2171.116646 95.4281 BFGS: 178 15:46:50 2167.761149 95.1874 BFGS: 179 15:46:50 2164.398298 94.9454 BFGS: 180 15:46:50 2161.027638 94.7022 BFGS: 181 15:46:50 2157.648908 94.4578 BFGS: 182 15:46:50 2154.261597 94.2122 BFGS: 183 15:46:50 2150.865377 93.9653 BFGS: 184 15:46:50 2147.459742 93.7173 BFGS: 185 15:46:50 2144.044344 93.4679 BFGS: 186 15:46:50 2140.618728 93.2174 BFGS: 187 15:46:50 2137.182556 92.9656 BFGS: 188 15:46:50 2133.735421 92.7127 BFGS: 189 15:46:50 2130.276996 92.4594 BFGS: 190 15:46:50 2126.807009 92.2066 BFGS: 191 15:46:50 2123.325444 91.9525 BFGS: 192 15:46:50 2119.832229 91.6972 BFGS: 193 15:46:50 2116.327048 91.4407 BFGS: 194 15:46:51 2112.809566 91.1830 BFGS: 195 15:46:51 2109.279477 90.9241 BFGS: 196 15:46:51 2105.736461 90.6640 BFGS: 197 15:46:51 2102.180222 90.4027 BFGS: 198 15:46:51 2098.610453 90.1402 BFGS: 199 15:46:51 2095.026865 89.8765 BFGS: 200 15:46:51 2091.429164 89.6116 BFGS: 201 15:46:51 2087.817072 89.3456 BFGS: 202 15:46:51 2084.190304 89.0783 BFGS: 203 15:46:51 2080.548593 88.8099 BFGS: 204 15:46:51 2076.891668 88.5402 BFGS: 205 15:46:51 2073.219270 88.2695 BFGS: 206 15:46:51 2069.531139 87.9975 BFGS: 207 15:46:51 2065.827030 87.7244 BFGS: 208 15:46:51 2062.106693 87.4501 BFGS: 209 15:46:51 2058.369894 87.1747 BFGS: 210 15:46:51 2054.616397 86.8981 BFGS: 211 15:46:51 2050.845978 86.6205 BFGS: 212 15:46:51 2047.058410 86.3422 BFGS: 213 15:46:51 2043.253791 86.0651 BFGS: 214 15:46:51 2039.432733 85.7886 BFGS: 215 15:46:51 2035.595740 85.5118 BFGS: 216 15:46:51 2031.742512 85.2341 BFGS: 217 15:46:51 2027.872763 84.9553 BFGS: 218 15:46:51 2023.986327 84.6756 BFGS: 219 15:46:51 2020.083028 84.3949 BFGS: 220 15:46:51 2016.162701 84.1131 BFGS: 221 15:46:51 2012.225184 83.8304 BFGS: 222 15:46:51 2008.270327 83.5468 BFGS: 223 15:46:51 2004.297980 83.2621 BFGS: 224 15:46:51 2000.308005 82.9765 BFGS: 225 15:46:51 1996.300270 82.6900 BFGS: 226 15:46:51 1992.274650 82.4026 BFGS: 227 15:46:51 1988.231026 82.1142 BFGS: 228 15:46:51 1984.169288 81.8249 BFGS: 229 15:46:51 1980.089320 81.5357 BFGS: 230 15:46:51 1975.991216 81.2464 BFGS: 231 15:46:51 1971.875075 80.9571 BFGS: 232 15:46:51 1967.740921 80.6681 BFGS: 233 15:46:51 1963.588909 80.3784 BFGS: 234 15:46:51 1959.418972 80.0898 BFGS: 235 15:46:51 1955.232458 79.8009 BFGS: 236 15:46:51 1951.028714 79.5113 BFGS: 237 15:46:51 1946.807744 79.2209 BFGS: 238 15:46:51 1942.569518 78.9298 BFGS: 239 15:46:51 1938.314010 78.6381 BFGS: 240 15:46:51 1934.041209 78.3457 BFGS: 241 15:46:51 1929.751104 78.0526 BFGS: 242 15:46:51 1925.443698 77.7589 BFGS: 243 15:46:51 1921.118996 77.4645 BFGS: 244 15:46:51 1916.777016 77.1695 BFGS: 245 15:46:52 1912.417779 76.8739 BFGS: 246 15:46:52 1908.041310 76.5781 BFGS: 247 15:46:52 1903.647727 76.2818 BFGS: 248 15:46:52 1899.236968 75.9850 BFGS: 249 15:46:52 1894.809097 75.6877 BFGS: 250 15:46:52 1890.364132 75.3899 BFGS: 251 15:46:52 1885.902145 75.0916 BFGS: 252 15:46:52 1881.423217 74.7928 BFGS: 253 15:46:52 1876.927432 74.4935 BFGS: 254 15:46:52 1872.414886 74.1938 BFGS: 255 15:46:52 1867.885679 73.8936 BFGS: 256 15:46:52 1863.339921 73.5929 BFGS: 257 15:46:52 1858.777729 73.2919 BFGS: 258 15:46:52 1854.199229 72.9905 BFGS: 259 15:46:52 1849.604551 72.6926 BFGS: 260 15:46:52 1844.993836 72.4670 BFGS: 261 15:46:52 1840.367232 72.2406 BFGS: 262 15:46:52 1835.724895 72.0133 BFGS: 263 15:46:52 1831.066986 71.7851 BFGS: 264 15:46:52 1826.393675 71.5561 BFGS: 265 15:46:52 1821.705141 71.3263 BFGS: 266 15:46:52 1817.001558 71.0965 BFGS: 267 15:46:52 1812.282694 70.8668 BFGS: 268 15:46:52 1807.549519 70.6364 BFGS: 269 15:46:52 1802.802702 70.4066 BFGS: 270 15:46:52 1798.043218 70.1774 BFGS: 271 15:46:52 1793.270110 69.9489 BFGS: 272 15:46:52 1788.483068 69.7204 BFGS: 273 15:46:52 1783.682266 69.4913 BFGS: 274 15:46:52 1778.868040 69.2616 BFGS: 275 15:46:52 1774.040678 69.0312 BFGS: 276 15:46:52 1769.200391 68.8002 BFGS: 277 15:46:52 1764.347411 68.5684 BFGS: 278 15:46:52 1759.481960 68.3360 BFGS: 279 15:46:52 1754.604277 68.1029 BFGS: 280 15:46:52 1749.714597 67.8692 BFGS: 281 15:46:52 1744.813171 67.6349 BFGS: 282 15:46:52 1739.900244 67.3999 BFGS: 283 15:46:52 1734.976021 67.1650 BFGS: 284 15:46:52 1730.041555 66.9300 BFGS: 285 15:46:52 1725.097603 66.6947 BFGS: 286 15:46:53 1720.144534 66.4596 BFGS: 287 15:46:53 1715.183353 66.2240 BFGS: 288 15:46:53 1710.214265 65.9879 BFGS: 289 15:46:53 1705.237701 65.7515 BFGS: 290 15:46:53 1700.254089 65.5146 BFGS: 291 15:46:53 1695.263619 65.2787 BFGS: 292 15:46:53 1690.265510 65.0433 BFGS: 293 15:46:53 1685.259761 64.8094 BFGS: 294 15:46:53 1680.245422 64.5764 BFGS: 295 15:46:53 1675.222267 64.3433 BFGS: 296 15:46:53 1670.190641 64.1099 BFGS: 297 15:46:53 1665.150904 63.8760 BFGS: 298 15:46:53 1660.103342 63.6417 BFGS: 299 15:46:53 1655.048239 63.4070 BFGS: 300 15:46:53 1649.985877 63.1720 BFGS: 301 15:46:53 1644.916543 62.9366 BFGS: 302 15:46:53 1639.840526 62.7008 BFGS: 303 15:46:53 1634.758118 62.4647 BFGS: 304 15:46:53 1629.669613 62.2282 BFGS: 305 15:46:53 1624.575308 61.9914 BFGS: 306 15:46:53 1619.475503 61.7544 BFGS: 307 15:46:53 1614.370499 61.5170 BFGS: 308 15:46:53 1609.260599 61.2793 BFGS: 309 15:46:53 1604.146108 61.0414 BFGS: 310 15:46:53 1599.027335 60.8031 BFGS: 311 15:46:53 1593.904587 60.5647 BFGS: 312 15:46:53 1588.778175 60.3260 BFGS: 313 15:46:53 1583.648410 60.0871 BFGS: 314 15:46:53 1578.515606 59.8479 BFGS: 315 15:46:53 1573.380075 59.6086 BFGS: 316 15:46:53 1568.242134 59.3691 BFGS: 317 15:46:53 1563.102097 59.1294 BFGS: 318 15:46:53 1557.960280 58.8896 BFGS: 319 15:46:53 1552.817001 58.6496 BFGS: 320 15:46:53 1547.672576 58.4094 BFGS: 321 15:46:53 1542.527322 58.1692 BFGS: 322 15:46:53 1537.381556 57.9288 BFGS: 323 15:46:53 1532.235597 57.6884 BFGS: 324 15:46:53 1527.089760 57.4479 BFGS: 325 15:46:53 1521.944363 57.2073 BFGS: 326 15:46:53 1516.799721 56.9666 BFGS: 327 15:46:53 1511.656151 56.7259 BFGS: 328 15:46:53 1506.513968 56.4852 BFGS: 329 15:46:54 1501.373486 56.2445 BFGS: 330 15:46:54 1496.235017 56.0037 BFGS: 331 15:46:54 1491.098875 55.7630 BFGS: 332 15:46:54 1485.965371 55.5223 BFGS: 333 15:46:54 1480.834814 55.2816 BFGS: 334 15:46:54 1475.707513 55.0410 BFGS: 335 15:46:54 1470.583774 54.8005 BFGS: 336 15:46:54 1465.463903 54.5600 BFGS: 337 15:46:54 1460.348204 54.3196 BFGS: 338 15:46:54 1455.236978 54.0794 BFGS: 339 15:46:54 1450.130526 53.8392 BFGS: 340 15:46:54 1445.029131 53.5998 BFGS: 341 15:46:54 1439.933397 53.3615 BFGS: 342 15:46:54 1434.843908 53.1238 BFGS: 343 15:46:54 1429.760833 52.8862 BFGS: 344 15:46:54 1424.684140 52.6487 BFGS: 345 15:46:54 1419.614007 52.4144 BFGS: 346 15:46:54 1414.548657 52.1870 BFGS: 347 15:46:54 1409.484577 51.9597 BFGS: 348 15:46:54 1404.422591 51.7325 BFGS: 349 15:46:54 1399.363137 51.5054 BFGS: 350 15:46:54 1394.306540 51.2783 BFGS: 351 15:46:54 1389.253089 51.0513 BFGS: 352 15:46:54 1384.203061 50.8244 BFGS: 353 15:46:54 1379.156730 50.5977 BFGS: 354 15:46:54 1374.114355 50.3711 BFGS: 355 15:46:54 1369.076519 50.1449 BFGS: 356 15:46:54 1364.043751 49.9190 BFGS: 357 15:46:54 1359.016837 49.6934 BFGS: 358 15:46:54 1353.996215 49.4682 BFGS: 359 15:46:54 1348.982502 49.2432 BFGS: 360 15:46:54 1343.975893 49.0186 BFGS: 361 15:46:54 1338.976613 48.7941 BFGS: 362 15:46:54 1333.984897 48.5700 BFGS: 363 15:46:54 1329.000984 48.3462 BFGS: 364 15:46:54 1324.025070 48.1237 BFGS: 365 15:46:54 1319.058087 47.9018 BFGS: 366 15:46:54 1314.100185 47.6802 BFGS: 367 15:46:54 1309.151296 47.4590 BFGS: 368 15:46:54 1304.211497 47.2393 BFGS: 369 15:46:54 1299.280462 47.0206 BFGS: 370 15:46:54 1294.358144 46.8038 BFGS: 371 15:46:54 1289.444187 46.5882 BFGS: 372 15:46:54 1284.538508 46.3732 BFGS: 373 15:46:54 1279.641327 46.1585 BFGS: 374 15:46:54 1274.752892 45.9442 BFGS: 375 15:46:54 1269.873427 45.7302 BFGS: 376 15:46:54 1265.003148 45.5165 BFGS: 377 15:46:54 1260.142264 45.3033 BFGS: 378 15:46:54 1255.290982 45.0904 BFGS: 379 15:46:54 1250.449436 44.8782 BFGS: 380 15:46:54 1245.619086 44.6665 BFGS: 381 15:46:54 1240.800116 44.4555 BFGS: 382 15:46:55 1235.993468 44.2461 BFGS: 383 15:46:55 1231.199095 44.0417 BFGS: 384 15:46:55 1226.415220 43.8378 BFGS: 385 15:46:55 1221.641924 43.6343 BFGS: 386 15:46:55 1216.879340 43.4312 BFGS: 387 15:46:55 1212.127618 43.2287 BFGS: 388 15:46:55 1207.386915 43.0265 BFGS: 389 15:46:55 1202.657391 42.8249 BFGS: 390 15:46:55 1197.939204 42.6237 BFGS: 391 15:46:55 1193.232509 42.4230 BFGS: 392 15:46:55 1188.537461 42.2228 BFGS: 393 15:46:55 1183.854210 42.0230 BFGS: 394 15:46:55 1179.182905 41.8238 BFGS: 395 15:46:55 1174.523693 41.6250 BFGS: 396 15:46:55 1169.876717 41.4268 BFGS: 397 15:46:55 1165.242118 41.2291 BFGS: 398 15:46:55 1160.620034 41.0318 BFGS: 399 15:46:55 1156.010603 40.8351 BFGS: 400 15:46:55 1151.413956 40.6389 BFGS: 401 15:46:55 1146.830226 40.4433 BFGS: 402 15:46:55 1142.259540 40.2481 BFGS: 403 15:46:55 1137.702025 40.0535 BFGS: 404 15:46:55 1133.157803 39.8595 BFGS: 405 15:46:55 1128.626997 39.6659 BFGS: 406 15:46:55 1124.109723 39.4730 BFGS: 407 15:46:55 1119.606099 39.2805 BFGS: 408 15:46:55 1115.116237 39.0886 BFGS: 409 15:46:55 1110.640250 38.8973 BFGS: 410 15:46:55 1106.178244 38.7065 BFGS: 411 15:46:55 1101.730328 38.5163 BFGS: 412 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0.8176 BFGS: 1534 15:47:13 32.045563 0.8161 BFGS: 1535 15:47:13 31.958643 0.8147 BFGS: 1536 15:47:13 31.871950 0.8133 BFGS: 1537 15:47:13 31.785483 0.8119 BFGS: 1538 15:47:13 31.699242 0.8104 BFGS: 1539 15:47:13 31.613227 0.8090 BFGS: 1540 15:47:13 31.527437 0.8076 BFGS: 1541 15:47:13 31.441872 0.8062 BFGS: 1542 15:47:13 31.356531 0.8048 BFGS: 1543 15:47:13 31.271415 0.8033 BFGS: 1544 15:47:13 31.186522 0.8019 BFGS: 1545 15:47:13 31.101853 0.8005 BFGS: 1546 15:47:13 31.017406 0.7991 BFGS: 1547 15:47:14 30.933182 0.7977 BFGS: 1548 15:47:14 30.849181 0.7963 BFGS: 1549 15:47:14 30.765401 0.7949 BFGS: 1550 15:47:14 30.681843 0.7935 BFGS: 1551 15:47:14 30.598505 0.7921 BFGS: 1552 15:47:14 30.515389 0.7907 BFGS: 1553 15:47:14 30.432492 0.7894 BFGS: 1554 15:47:14 30.349816 0.7880 BFGS: 1555 15:47:14 30.267359 0.7866 BFGS: 1556 15:47:14 30.185121 0.7852 BFGS: 1557 15:47:14 30.103102 0.7838 BFGS: 1558 15:47:14 30.021301 0.7824 BFGS: 1559 15:47:14 29.939718 0.7811 BFGS: 1560 15:47:14 29.858353 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0.4565 BFGS: 1858 15:47:18 13.574991 0.4557 BFGS: 1859 15:47:18 13.538753 0.4548 BFGS: 1860 15:47:18 13.502581 0.4539 BFGS: 1861 15:47:18 13.466476 0.4531 BFGS: 1862 15:47:18 13.430438 0.4522 BFGS: 1863 15:47:18 13.394466 0.4514 BFGS: 1864 15:47:18 13.358560 0.4505 BFGS: 1865 15:47:18 13.322721 0.4497 BFGS: 1866 15:47:18 13.286948 0.4488 BFGS: 1867 15:47:18 13.251241 0.4480 BFGS: 1868 15:47:18 13.215601 0.4471 BFGS: 1869 15:47:18 13.180026 0.4463 BFGS: 1870 15:47:18 13.144517 0.4454 BFGS: 1871 15:47:18 13.109074 0.4446 BFGS: 1872 15:47:18 13.073697 0.4437 BFGS: 1873 15:47:18 13.038385 0.4429 BFGS: 1874 15:47:18 13.003139 0.4420 BFGS: 1875 15:47:18 12.967958 0.4412 BFGS: 1876 15:47:18 12.932842 0.4403 BFGS: 1877 15:47:18 12.897792 0.4395 BFGS: 1878 15:47:18 12.862807 0.4387 BFGS: 1879 15:47:18 12.827887 0.4378 BFGS: 1880 15:47:18 12.793032 0.4370 BFGS: 1881 15:47:18 12.758243 0.4362 BFGS: 1882 15:47:18 12.723517 0.4353 BFGS: 1883 15:47:18 12.688857 0.4345 BFGS: 1884 15:47:18 12.654261 0.4337 BFGS: 1885 15:47:18 12.619730 0.4328 BFGS: 1886 15:47:18 12.585263 0.4320 BFGS: 1887 15:47:18 12.550861 0.4312 BFGS: 1888 15:47:18 12.516523 0.4303 BFGS: 1889 15:47:18 12.482249 0.4295 BFGS: 1890 15:47:18 12.448039 0.4287 BFGS: 1891 15:47:18 12.413894 0.4279 BFGS: 1892 15:47:18 12.379812 0.4270 BFGS: 1893 15:47:18 12.345794 0.4262 BFGS: 1894 15:47:18 12.311840 0.4254 BFGS: 1895 15:47:18 12.277950 0.4246 BFGS: 1896 15:47:18 12.244123 0.4238 BFGS: 1897 15:47:18 12.210360 0.4229 BFGS: 1898 15:47:18 12.176660 0.4221 BFGS: 1899 15:47:18 12.143024 0.4213 BFGS: 1900 15:47:18 12.109451 0.4205 BFGS: 1901 15:47:18 12.075941 0.4197 BFGS: 1902 15:47:19 12.042494 0.4189 BFGS: 1903 15:47:19 12.009110 0.4181 BFGS: 1904 15:47:19 11.975789 0.4173 BFGS: 1905 15:47:19 11.942531 0.4164 BFGS: 1906 15:47:19 11.909336 0.4156 BFGS: 1907 15:47:19 11.876203 0.4148 BFGS: 1908 15:47:19 11.843133 0.4140 BFGS: 1909 15:47:19 11.810126 0.4132 BFGS: 1910 15:47:19 11.777180 0.4124 BFGS: 1911 15:47:19 11.744298 0.4116 BFGS: 1912 15:47:19 11.711477 0.4108 BFGS: 1913 15:47:19 11.678719 0.4100 BFGS: 1914 15:47:19 11.646023 0.4092 BFGS: 1915 15:47:19 11.613388 0.4084 BFGS: 1916 15:47:19 11.580816 0.4076 BFGS: 1917 15:47:19 11.548306 0.4068 BFGS: 1918 15:47:19 11.515857 0.4060 BFGS: 1919 15:47:19 11.483470 0.4052 BFGS: 1920 15:47:19 11.451144 0.4045 BFGS: 1921 15:47:19 11.418880 0.4037 BFGS: 1922 15:47:19 11.386678 0.4029 BFGS: 1923 15:47:19 11.354537 0.4021 BFGS: 1924 15:47:19 11.322457 0.4013 BFGS: 1925 15:47:19 11.290438 0.4005 BFGS: 1926 15:47:19 11.258480 0.3997 BFGS: 1927 15:47:19 11.226584 0.3989 BFGS: 1928 15:47:19 11.194748 0.3982 BFGS: 1929 15:47:19 11.162973 0.3974 BFGS: 1930 15:47:19 11.131259 0.3966 BFGS: 1931 15:47:19 11.099605 0.3958 BFGS: 1932 15:47:19 11.068013 0.3950 BFGS: 1933 15:47:19 11.036480 0.3943 BFGS: 1934 15:47:19 11.005008 0.3935 BFGS: 1935 15:47:19 10.973597 0.3927 BFGS: 1936 15:47:19 10.942246 0.3919 BFGS: 1937 15:47:19 10.910955 0.3912 BFGS: 1938 15:47:19 10.879724 0.3904 BFGS: 1939 15:47:19 10.848553 0.3896 BFGS: 1940 15:47:19 10.817442 0.3889 BFGS: 1941 15:47:19 10.786391 0.3881 BFGS: 1942 15:47:19 10.755400 0.3873 BFGS: 1943 15:47:19 10.724468 0.3866 BFGS: 1944 15:47:19 10.693597 0.3858 BFGS: 1945 15:47:19 10.662784 0.3850 BFGS: 1946 15:47:19 10.632032 0.3843 BFGS: 1947 15:47:19 10.601338 0.3835 BFGS: 1948 15:47:19 10.570704 0.3827 BFGS: 1949 15:47:19 10.540129 0.3820 BFGS: 1950 15:47:19 10.509613 0.3812 BFGS: 1951 15:47:19 10.479157 0.3805 BFGS: 1952 15:47:19 10.448759 0.3797 BFGS: 1953 15:47:19 10.418421 0.3789 BFGS: 1954 15:47:19 10.388141 0.3782 BFGS: 1955 15:47:19 10.357920 0.3774 BFGS: 1956 15:47:19 10.327757 0.3767 BFGS: 1957 15:47:19 10.297654 0.3759 BFGS: 1958 15:47:19 10.267608 0.3752 BFGS: 1959 15:47:19 10.237622 0.3744 BFGS: 1960 15:47:19 10.207693 0.3737 BFGS: 1961 15:47:19 10.177823 0.3729 BFGS: 1962 15:47:19 10.148011 0.3722 BFGS: 1963 15:47:19 10.118258 0.3714 BFGS: 1964 15:47:19 10.088562 0.3707 BFGS: 1965 15:47:19 10.058925 0.3700 BFGS: 1966 15:47:19 10.029345 0.3692 BFGS: 1967 15:47:19 9.999823 0.3685 BFGS: 1968 15:47:19 9.970359 0.3677 BFGS: 1969 15:47:19 9.940952 0.3670 BFGS: 1970 15:47:19 9.911604 0.3663 BFGS: 1971 15:47:19 9.882312 0.3655 BFGS: 1972 15:47:19 9.853079 0.3648 BFGS: 1973 15:47:19 9.823902 0.3640 BFGS: 1974 15:47:19 9.794783 0.3633 BFGS: 1975 15:47:19 9.765721 0.3626 BFGS: 1976 15:47:19 9.736716 0.3618 BFGS: 1977 15:47:19 9.707769 0.3611 BFGS: 1978 15:47:19 9.678878 0.3604 BFGS: 1979 15:47:19 9.650044 0.3597 BFGS: 1980 15:47:19 9.621268 0.3589 BFGS: 1981 15:47:19 9.592547 0.3582 BFGS: 1982 15:47:19 9.563884 0.3575 BFGS: 1983 15:47:19 9.535277 0.3567 BFGS: 1984 15:47:19 9.506727 0.3560 BFGS: 1985 15:47:19 9.478233 0.3553 BFGS: 1986 15:47:19 9.449796 0.3546 BFGS: 1987 15:47:19 9.421415 0.3539 BFGS: 1988 15:47:19 9.393090 0.3531 BFGS: 1989 15:47:19 9.364822 0.3524 BFGS: 1990 15:47:19 9.336609 0.3517 BFGS: 1991 15:47:19 9.308453 0.3510 BFGS: 1992 15:47:19 9.280352 0.3503 BFGS: 1993 15:47:19 9.252308 0.3495 BFGS: 1994 15:47:19 9.224319 0.3488 BFGS: 1995 15:47:19 9.196386 0.3481 BFGS: 1996 15:47:19 9.168509 0.3474 BFGS: 1997 15:47:19 9.140687 0.3467 BFGS: 1998 15:47:19 9.112921 0.3460 BFGS: 1999 15:47:19 9.085210 0.3453 BFGS: 2000 15:47:19 9.057555 0.3446 BFGS: 2001 15:47:19 9.029955 0.3439 BFGS: 2002 15:47:19 9.002410 0.3432 BFGS: 2003 15:47:19 8.974920 0.3424 BFGS: 2004 15:47:19 8.947485 0.3417 BFGS: 2005 15:47:19 8.920106 0.3410 BFGS: 2006 15:47:19 8.892781 0.3403 BFGS: 2007 15:47:19 8.865511 0.3396 BFGS: 2008 15:47:20 8.838296 0.3389 BFGS: 2009 15:47:20 8.811136 0.3382 BFGS: 2010 15:47:20 8.784030 0.3375 BFGS: 2011 15:47:20 8.756979 0.3368 BFGS: 2012 15:47:20 8.729983 0.3361 BFGS: 2013 15:47:20 8.703041 0.3354 BFGS: 2014 15:47:20 8.676153 0.3347 BFGS: 2015 15:47:20 8.649320 0.3341 BFGS: 2016 15:47:20 8.622540 0.3334 BFGS: 2017 15:47:20 8.595815 0.3327 BFGS: 2018 15:47:20 8.569144 0.3320 BFGS: 2019 15:47:20 8.542528 0.3313 BFGS: 2020 15:47:20 8.515965 0.3306 BFGS: 2021 15:47:20 8.489455 0.3299 BFGS: 2022 15:47:20 8.463000 0.3292 BFGS: 2023 15:47:20 8.436599 0.3285 BFGS: 2024 15:47:20 8.410251 0.3278 BFGS: 2025 15:47:20 8.383956 0.3272 BFGS: 2026 15:47:20 8.357716 0.3265 BFGS: 2027 15:47:20 8.331528 0.3258 BFGS: 2028 15:47:20 8.305394 0.3251 BFGS: 2029 15:47:20 8.279314 0.3244 BFGS: 2030 15:47:20 8.253286 0.3238 BFGS: 2031 15:47:20 8.227312 0.3231 BFGS: 2032 15:47:20 8.201391 0.3224 BFGS: 2033 15:47:20 8.175523 0.3217 BFGS: 2034 15:47:20 8.149708 0.3210 BFGS: 2035 15:47:20 8.123946 0.3204 BFGS: 2036 15:47:20 8.098237 0.3197 BFGS: 2037 15:47:20 8.072580 0.3190 BFGS: 2038 15:47:20 8.046976 0.3183 BFGS: 2039 15:47:20 8.021425 0.3177 BFGS: 2040 15:47:20 7.995926 0.3170 BFGS: 2041 15:47:20 7.970480 0.3163 BFGS: 2042 15:47:20 7.945086 0.3157 BFGS: 2043 15:47:20 7.919745 0.3150 BFGS: 2044 15:47:20 7.894456 0.3143 BFGS: 2045 15:47:20 7.869219 0.3137 BFGS: 2046 15:47:20 7.844034 0.3130 BFGS: 2047 15:47:20 7.818902 0.3123 BFGS: 2048 15:47:20 7.793821 0.3117 BFGS: 2049 15:47:20 7.768792 0.3110 BFGS: 2050 15:47:20 7.743816 0.3103 BFGS: 2051 15:47:20 7.718891 0.3097 BFGS: 2052 15:47:20 7.694017 0.3090 BFGS: 2053 15:47:20 7.669196 0.3084 BFGS: 2054 15:47:20 7.644426 0.3077 BFGS: 2055 15:47:20 7.619708 0.3070 BFGS: 2056 15:47:20 7.595041 0.3064 BFGS: 2057 15:47:20 7.570426 0.3057 BFGS: 2058 15:47:20 7.545861 0.3051 BFGS: 2059 15:47:20 7.521349 0.3044 BFGS: 2060 15:47:20 7.496887 0.3038 BFGS: 2061 15:47:20 7.472477 0.3031 BFGS: 2062 15:47:20 7.448117 0.3025 BFGS: 2063 15:47:20 7.423809 0.3018 BFGS: 2064 15:47:20 7.399552 0.3012 BFGS: 2065 15:47:20 7.375345 0.3005 BFGS: 2066 15:47:20 7.351190 0.2999 BFGS: 2067 15:47:20 7.327085 0.2992 BFGS: 2068 15:47:20 7.303031 0.2986 BFGS: 2069 15:47:20 7.279028 0.2979 BFGS: 2070 15:47:20 7.255075 0.2973 BFGS: 2071 15:47:20 7.231172 0.2966 BFGS: 2072 15:47:20 7.207320 0.2960 BFGS: 2073 15:47:20 7.183519 0.2954 BFGS: 2074 15:47:20 7.159767 0.2947 BFGS: 2075 15:47:20 7.136066 0.2941 BFGS: 2076 15:47:20 7.112416 0.2934 BFGS: 2077 15:47:20 7.088815 0.2928 BFGS: 2078 15:47:20 7.065264 0.2922 BFGS: 2079 15:47:20 7.041763 0.2915 BFGS: 2080 15:47:20 7.018313 0.2909 BFGS: 2081 15:47:20 6.994912 0.2902 BFGS: 2082 15:47:20 6.971561 0.2896 BFGS: 2083 15:47:20 6.948259 0.2890 BFGS: 2084 15:47:20 6.925008 0.2883 BFGS: 2085 15:47:20 6.901806 0.2877 BFGS: 2086 15:47:20 6.878653 0.2871 BFGS: 2087 15:47:20 6.855550 0.2865 BFGS: 2088 15:47:20 6.832497 0.2858 BFGS: 2089 15:47:20 6.809492 0.2852 BFGS: 2090 15:47:20 6.786537 0.2846 BFGS: 2091 15:47:20 6.763632 0.2839 BFGS: 2092 15:47:20 6.740775 0.2833 BFGS: 2093 15:47:20 6.717968 0.2827 BFGS: 2094 15:47:20 6.695209 0.2821 BFGS: 2095 15:47:20 6.672500 0.2814 BFGS: 2096 15:47:20 6.649839 0.2808 BFGS: 2097 15:47:20 6.627228 0.2802 BFGS: 2098 15:47:20 6.604665 0.2796 BFGS: 2099 15:47:20 6.582151 0.2790 BFGS: 2100 15:47:20 6.559686 0.2783 BFGS: 2101 15:47:20 6.537269 0.2777 BFGS: 2102 15:47:20 6.514900 0.2771 BFGS: 2103 15:47:20 6.492581 0.2765 BFGS: 2104 15:47:20 6.470309 0.2759 BFGS: 2105 15:47:20 6.448086 0.2753 BFGS: 2106 15:47:20 6.425912 0.2746 BFGS: 2107 15:47:20 6.403785 0.2740 BFGS: 2108 15:47:20 6.381707 0.2734 BFGS: 2109 15:47:20 6.359677 0.2728 BFGS: 2110 15:47:20 6.337695 0.2722 BFGS: 2111 15:47:20 6.315761 0.2716 BFGS: 2112 15:47:20 6.293875 0.2710 BFGS: 2113 15:47:20 6.272037 0.2704 BFGS: 2114 15:47:20 6.250246 0.2698 BFGS: 2115 15:47:20 6.228503 0.2692 BFGS: 2116 15:47:20 6.206809 0.2685 BFGS: 2117 15:47:21 6.185161 0.2679 BFGS: 2118 15:47:21 6.163561 0.2673 BFGS: 2119 15:47:21 6.142009 0.2667 BFGS: 2120 15:47:21 6.120505 0.2661 BFGS: 2121 15:47:21 6.099047 0.2655 BFGS: 2122 15:47:21 6.077637 0.2649 BFGS: 2123 15:47:21 6.056274 0.2643 BFGS: 2124 15:47:21 6.034959 0.2637 BFGS: 2125 15:47:21 6.013691 0.2631 BFGS: 2126 15:47:21 5.992469 0.2625 BFGS: 2127 15:47:21 5.971295 0.2619 BFGS: 2128 15:47:21 5.950168 0.2613 BFGS: 2129 15:47:21 5.929088 0.2607 BFGS: 2130 15:47:21 5.908054 0.2601 BFGS: 2131 15:47:21 5.887068 0.2595 BFGS: 2132 15:47:21 5.866128 0.2590 BFGS: 2133 15:47:21 5.845234 0.2584 BFGS: 2134 15:47:21 5.824388 0.2578 BFGS: 2135 15:47:21 5.803588 0.2572 BFGS: 2136 15:47:21 5.782834 0.2566 BFGS: 2137 15:47:21 5.762127 0.2560 BFGS: 2138 15:47:21 5.741467 0.2554 BFGS: 2139 15:47:21 5.720853 0.2548 BFGS: 2140 15:47:21 5.700285 0.2542 BFGS: 2141 15:47:21 5.679763 0.2537 BFGS: 2142 15:47:21 5.659287 0.2531 BFGS: 2143 15:47:21 5.638858 0.2525 BFGS: 2144 15:47:21 5.618474 0.2519 BFGS: 2145 15:47:21 5.598137 0.2513 BFGS: 2146 15:47:21 5.577845 0.2507 BFGS: 2147 15:47:21 5.557600 0.2501 BFGS: 2148 15:47:21 5.537400 0.2496 BFGS: 2149 15:47:21 5.517246 0.2490 BFGS: 2150 15:47:21 5.497138 0.2484 BFGS: 2151 15:47:21 5.477075 0.2478 BFGS: 2152 15:47:21 5.457058 0.2473 BFGS: 2153 15:47:21 5.437086 0.2467 BFGS: 2154 15:47:21 5.417160 0.2461 BFGS: 2155 15:47:21 5.397279 0.2455 BFGS: 2156 15:47:21 5.377444 0.2449 BFGS: 2157 15:47:21 5.357654 0.2444 BFGS: 2158 15:47:21 5.337910 0.2438 BFGS: 2159 15:47:21 5.318210 0.2432 BFGS: 2160 15:47:21 5.298556 0.2427 BFGS: 2161 15:47:21 5.278946 0.2421 BFGS: 2162 15:47:21 5.259382 0.2415 BFGS: 2163 15:47:21 5.239863 0.2409 BFGS: 2164 15:47:21 5.220388 0.2404 BFGS: 2165 15:47:21 5.200959 0.2398 BFGS: 2166 15:47:21 5.181574 0.2392 BFGS: 2167 15:47:21 5.162234 0.2387 BFGS: 2168 15:47:21 5.142939 0.2381 BFGS: 2169 15:47:21 5.123689 0.2375 BFGS: 2170 15:47:21 5.104483 0.2370 BFGS: 2171 15:47:21 5.085321 0.2364 BFGS: 2172 15:47:21 5.066204 0.2358 BFGS: 2173 15:47:21 5.047131 0.2353 BFGS: 2174 15:47:21 5.028103 0.2347 BFGS: 2175 15:47:21 5.009119 0.2342 BFGS: 2176 15:47:21 4.990180 0.2336 BFGS: 2177 15:47:21 4.971284 0.2330 BFGS: 2178 15:47:21 4.952433 0.2325 BFGS: 2179 15:47:21 4.933626 0.2319 BFGS: 2180 15:47:21 4.914863 0.2314 BFGS: 2181 15:47:21 4.896143 0.2308 BFGS: 2182 15:47:21 4.877468 0.2303 BFGS: 2183 15:47:21 4.858837 0.2297 BFGS: 2184 15:47:21 4.840249 0.2292 BFGS: 2185 15:47:21 4.821705 0.2286 BFGS: 2186 15:47:21 4.803205 0.2280 BFGS: 2187 15:47:21 4.784749 0.2275 BFGS: 2188 15:47:21 4.766336 0.2269 BFGS: 2189 15:47:21 4.747967 0.2264 BFGS: 2190 15:47:21 4.729641 0.2258 BFGS: 2191 15:47:21 4.711359 0.2253 BFGS: 2192 15:47:21 4.693120 0.2247 BFGS: 2193 15:47:21 4.674924 0.2242 BFGS: 2194 15:47:21 4.656772 0.2236 BFGS: 2195 15:47:21 4.638663 0.2231 BFGS: 2196 15:47:21 4.620597 0.2226 BFGS: 2197 15:47:21 4.602574 0.2220 BFGS: 2198 15:47:21 4.584594 0.2215 BFGS: 2199 15:47:21 4.566658 0.2209 BFGS: 2200 15:47:21 4.548764 0.2204 BFGS: 2201 15:47:21 4.530913 0.2198 BFGS: 2202 15:47:21 4.513105 0.2193 BFGS: 2203 15:47:21 4.495340 0.2188 BFGS: 2204 15:47:21 4.477617 0.2182 BFGS: 2205 15:47:21 4.459938 0.2177 BFGS: 2206 15:47:21 4.442301 0.2171 BFGS: 2207 15:47:21 4.424706 0.2166 BFGS: 2208 15:47:21 4.407154 0.2161 BFGS: 2209 15:47:21 4.389645 0.2155 BFGS: 2210 15:47:21 4.372178 0.2150 BFGS: 2211 15:47:21 4.354754 0.2145 BFGS: 2212 15:47:21 4.337371 0.2139 BFGS: 2213 15:47:21 4.320031 0.2134 BFGS: 2214 15:47:21 4.302734 0.2129 BFGS: 2215 15:47:21 4.285478 0.2123 BFGS: 2216 15:47:21 4.268265 0.2118 BFGS: 2217 15:47:21 4.251094 0.2113 BFGS: 2218 15:47:21 4.233964 0.2107 BFGS: 2219 15:47:21 4.216877 0.2102 BFGS: 2220 15:47:21 4.199832 0.2097 BFGS: 2221 15:47:21 4.182828 0.2091 BFGS: 2222 15:47:21 4.165867 0.2086 BFGS: 2223 15:47:21 4.148947 0.2081 BFGS: 2224 15:47:21 4.132068 0.2076 BFGS: 2225 15:47:21 4.115232 0.2070 BFGS: 2226 15:47:21 4.098437 0.2065 BFGS: 2227 15:47:22 4.081684 0.2060 BFGS: 2228 15:47:22 4.064972 0.2055 BFGS: 2229 15:47:22 4.048302 0.2049 BFGS: 2230 15:47:22 4.031673 0.2044 BFGS: 2231 15:47:22 4.015085 0.2039 BFGS: 2232 15:47:22 3.998539 0.2034 BFGS: 2233 15:47:22 3.982034 0.2029 BFGS: 2234 15:47:22 3.965571 0.2023 BFGS: 2235 15:47:22 3.949148 0.2018 BFGS: 2236 15:47:22 3.932767 0.2013 BFGS: 2237 15:47:22 3.916426 0.2008 BFGS: 2238 15:47:22 3.900127 0.2003 BFGS: 2239 15:47:22 3.883869 0.1998 BFGS: 2240 15:47:22 3.867651 0.1992 BFGS: 2241 15:47:22 3.851475 0.1987 BFGS: 2242 15:47:22 3.835339 0.1982 BFGS: 2243 15:47:22 3.819244 0.1977 BFGS: 2244 15:47:22 3.803190 0.1972 BFGS: 2245 15:47:22 3.787176 0.1967 BFGS: 2246 15:47:22 3.771203 0.1962 BFGS: 2247 15:47:22 3.755271 0.1956 BFGS: 2248 15:47:22 3.739379 0.1951 BFGS: 2249 15:47:22 3.723528 0.1946 BFGS: 2250 15:47:22 3.707717 0.1941 BFGS: 2251 15:47:22 3.691946 0.1936 BFGS: 2252 15:47:22 3.676216 0.1931 BFGS: 2253 15:47:22 3.660526 0.1926 BFGS: 2254 15:47:22 3.644876 0.1921 BFGS: 2255 15:47:22 3.629267 0.1916 BFGS: 2256 15:47:22 3.613697 0.1911 BFGS: 2257 15:47:22 3.598168 0.1906 BFGS: 2258 15:47:22 3.582679 0.1901 BFGS: 2259 15:47:22 3.567230 0.1896 BFGS: 2260 15:47:22 3.551820 0.1891 BFGS: 2261 15:47:22 3.536451 0.1886 BFGS: 2262 15:47:22 3.521121 0.1881 BFGS: 2263 15:47:22 3.505831 0.1876 BFGS: 2264 15:47:22 3.490581 0.1871 BFGS: 2265 15:47:22 3.475371 0.1866 BFGS: 2266 15:47:22 3.460200 0.1861 BFGS: 2267 15:47:22 3.445069 0.1856 BFGS: 2268 15:47:22 3.429978 0.1851 BFGS: 2269 15:47:22 3.414926 0.1846 BFGS: 2270 15:47:22 3.399913 0.1841 BFGS: 2271 15:47:22 3.384940 0.1836 BFGS: 2272 15:47:22 3.370007 0.1831 BFGS: 2273 15:47:22 3.355112 0.1826 BFGS: 2274 15:47:22 3.340257 0.1821 BFGS: 2275 15:47:22 3.325441 0.1816 BFGS: 2276 15:47:22 3.310664 0.1811 BFGS: 2277 15:47:22 3.295927 0.1806 BFGS: 2278 15:47:22 3.281228 0.1801 BFGS: 2279 15:47:22 3.266569 0.1796 BFGS: 2280 15:47:22 3.251948 0.1792 BFGS: 2281 15:47:22 3.237367 0.1787 BFGS: 2282 15:47:22 3.222824 0.1782 BFGS: 2283 15:47:22 3.208320 0.1777 BFGS: 2284 15:47:22 3.193855 0.1772 BFGS: 2285 15:47:22 3.179429 0.1767 BFGS: 2286 15:47:22 3.165042 0.1762 BFGS: 2287 15:47:22 3.150693 0.1758 BFGS: 2288 15:47:22 3.136383 0.1753 BFGS: 2289 15:47:22 3.122111 0.1748 BFGS: 2290 15:47:22 3.107878 0.1743 BFGS: 2291 15:47:22 3.093684 0.1738 BFGS: 2292 15:47:22 3.079527 0.1733 BFGS: 2293 15:47:22 3.065410 0.1729 BFGS: 2294 15:47:22 3.051330 0.1724 BFGS: 2295 15:47:22 3.037289 0.1719 BFGS: 2296 15:47:22 3.023286 0.1714 BFGS: 2297 15:47:22 3.009322 0.1709 BFGS: 2298 15:47:22 2.995395 0.1705 BFGS: 2299 15:47:22 2.981507 0.1700 BFGS: 2300 15:47:22 2.967657 0.1695 BFGS: 2301 15:47:22 2.953844 0.1690 BFGS: 2302 15:47:22 2.940070 0.1685 BFGS: 2303 15:47:22 2.926334 0.1681 BFGS: 2304 15:47:22 2.912635 0.1676 BFGS: 2305 15:47:22 2.898975 0.1671 BFGS: 2306 15:47:22 2.885352 0.1667 BFGS: 2307 15:47:22 2.871767 0.1662 BFGS: 2308 15:47:22 2.858220 0.1657 BFGS: 2309 15:47:22 2.844710 0.1652 BFGS: 2310 15:47:22 2.831238 0.1648 BFGS: 2311 15:47:22 2.817804 0.1643 BFGS: 2312 15:47:22 2.804407 0.1638 BFGS: 2313 15:47:22 2.791047 0.1634 BFGS: 2314 15:47:22 2.777725 0.1629 BFGS: 2315 15:47:22 2.764441 0.1624 BFGS: 2316 15:47:22 2.751193 0.1620 BFGS: 2317 15:47:22 2.737984 0.1615 BFGS: 2318 15:47:22 2.724811 0.1610 BFGS: 2319 15:47:22 2.711676 0.1606 BFGS: 2320 15:47:22 2.698577 0.1601 BFGS: 2321 15:47:22 2.685516 0.1596 BFGS: 2322 15:47:22 2.672492 0.1592 BFGS: 2323 15:47:22 2.659505 0.1587 BFGS: 2324 15:47:22 2.646555 0.1582 BFGS: 2325 15:47:22 2.633642 0.1578 BFGS: 2326 15:47:22 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0.1210 BFGS: 2410 15:47:23 1.666643 0.1206 BFGS: 2411 15:47:23 1.656752 0.1201 BFGS: 2412 15:47:23 1.646894 0.1197 BFGS: 2413 15:47:23 1.637070 0.1193 BFGS: 2414 15:47:23 1.627279 0.1189 BFGS: 2415 15:47:23 1.617521 0.1185 BFGS: 2416 15:47:23 1.607797 0.1181 BFGS: 2417 15:47:23 1.598105 0.1177 BFGS: 2418 15:47:23 1.588447 0.1173 BFGS: 2419 15:47:23 1.578822 0.1168 BFGS: 2420 15:47:23 1.569230 0.1164 BFGS: 2421 15:47:23 1.559671 0.1160 BFGS: 2422 15:47:23 1.550145 0.1156 BFGS: 2423 15:47:23 1.540652 0.1152 BFGS: 2424 15:47:23 1.531192 0.1148 BFGS: 2425 15:47:23 1.521765 0.1144 BFGS: 2426 15:47:23 1.512371 0.1140 BFGS: 2427 15:47:23 1.503009 0.1136 BFGS: 2428 15:47:23 1.493680 0.1132 BFGS: 2429 15:47:23 1.484384 0.1128 BFGS: 2430 15:47:23 1.475121 0.1124 BFGS: 2431 15:47:23 1.465891 0.1120 BFGS: 2432 15:47:23 1.456693 0.1116 BFGS: 2433 15:47:23 1.447527 0.1112 BFGS: 2434 15:47:23 1.438394 0.1107 BFGS: 2435 15:47:23 1.429294 0.1103 BFGS: 2436 15:47:23 1.420226 0.1099 BFGS: 2437 15:47:23 1.411191 0.1095 BFGS: 2438 15:47:23 1.402188 0.1091 BFGS: 2439 15:47:23 1.393217 0.1087 BFGS: 2440 15:47:23 1.384279 0.1083 BFGS: 2441 15:47:23 1.375373 0.1079 BFGS: 2442 15:47:23 1.366499 0.1075 BFGS: 2443 15:47:23 1.357658 0.1071 BFGS: 2444 15:47:23 1.348848 0.1067 BFGS: 2445 15:47:23 1.340071 0.1064 BFGS: 2446 15:47:23 1.331326 0.1060 BFGS: 2447 15:47:24 1.322613 0.1056 BFGS: 2448 15:47:24 1.313932 0.1052 BFGS: 2449 15:47:24 1.305283 0.1048 BFGS: 2450 15:47:24 1.296666 0.1044 BFGS: 2451 15:47:24 1.288081 0.1040 BFGS: 2452 15:47:24 1.279528 0.1036 BFGS: 2453 15:47:24 1.271007 0.1032 BFGS: 2454 15:47:24 1.262517 0.1028 BFGS: 2455 15:47:24 1.254060 0.1024 BFGS: 2456 15:47:24 1.245634 0.1020 BFGS: 2457 15:47:24 1.237239 0.1016 BFGS: 2458 15:47:24 1.228877 0.1012 BFGS: 2459 15:47:24 1.220546 0.1008 BFGS: 2460 15:47:24 1.212247 0.1005 BFGS: 2461 15:47:24 1.203979 0.1001 BFGS: 2462 15:47:24 1.195743 0.0997 BFGS: 2463 15:47:24 1.187538 0.0993 BFGS: 2464 15:47:24 1.179364 0.0989 BFGS: 2465 15:47:24 1.171223 0.0985 BFGS: 2466 15:47:24 1.163112 0.0981 BFGS: 2467 15:47:24 1.155033 0.0977 BFGS: 2468 15:47:24 1.146985 0.0974 BFGS: 2469 15:47:24 1.138969 0.0970 BFGS: 2470 15:47:24 1.130983 0.0966 BFGS: 2471 15:47:24 1.123029 0.0962 BFGS: 2472 15:47:24 1.115106 0.0958 BFGS: 2473 15:47:24 1.107214 0.0954 BFGS: 2474 15:47:24 1.099354 0.0950 BFGS: 2475 15:47:24 1.091524 0.0947 BFGS: 2476 15:47:24 1.083726 0.0943 BFGS: 2477 15:47:24 1.075958 0.0939 BFGS: 2478 15:47:24 1.068221 0.0935 BFGS: 2479 15:47:24 1.060516 0.0931 BFGS: 2480 15:47:24 1.052841 0.0928 BFGS: 2481 15:47:24 1.045197 0.0924 BFGS: 2482 15:47:24 1.037584 0.0920 BFGS: 2483 15:47:24 1.030001 0.0916 BFGS: 2484 15:47:24 1.022450 0.0912 BFGS: 2485 15:47:24 1.014929 0.0909 BFGS: 2486 15:47:24 1.007439 0.0905 BFGS: 2487 15:47:24 0.999979 0.0901 BFGS: 2488 15:47:24 0.992550 0.0897 BFGS: 2489 15:47:24 0.985152 0.0894 BFGS: 2490 15:47:24 0.977784 0.0890 BFGS: 2491 15:47:24 0.970447 0.0886 BFGS: 2492 15:47:24 0.963140 0.0882 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BFGS: 2604 15:47:25 0.329640 0.0491 BFGS: 2605 15:47:25 0.325566 0.0487 BFGS: 2606 15:47:25 0.321519 0.0484 BFGS: 2607 15:47:25 0.317498 0.0481 BFGS: 2608 15:47:25 0.313504 0.0478 BFGS: 2609 15:47:25 0.309538 0.0474 BFGS: 2610 15:47:25 0.305597 0.0471 BFGS: 2611 15:47:25 0.301684 0.0468 BFGS: 2612 15:47:25 0.297797 0.0465 BFGS: 2613 15:47:25 0.293937 0.0462 BFGS: 2614 15:47:25 0.290103 0.0458 BFGS: 2615 15:47:25 0.286296 0.0455 BFGS: 2616 15:47:25 0.282516 0.0452 BFGS: 2617 15:47:25 0.278762 0.0449 BFGS: 2618 15:47:25 0.275034 0.0445 BFGS: 2619 15:47:25 0.271333 0.0442 BFGS: 2620 15:47:25 0.267659 0.0439 BFGS: 2621 15:47:25 0.264011 0.0436 BFGS: 2622 15:47:25 0.260389 0.0433 BFGS: 2623 15:47:25 0.256794 0.0430 BFGS: 2624 15:47:25 0.253224 0.0426 BFGS: 2625 15:47:25 0.249682 0.0423 BFGS: 2626 15:47:25 0.246165 0.0420 BFGS: 2627 15:47:25 0.242675 0.0417 BFGS: 2628 15:47:25 0.239210 0.0414 BFGS: 2629 15:47:25 0.235772 0.0410 BFGS: 2630 15:47:25 0.232361 0.0407 BFGS: 2631 15:47:25 0.228975 0.0404 BFGS: 2632 15:47:25 0.225615 0.0401 BFGS: 2633 15:47:25 0.222282 0.0398 BFGS: 2634 15:47:25 0.218974 0.0395 BFGS: 2635 15:47:25 0.215692 0.0392 BFGS: 2636 15:47:25 0.212437 0.0388 BFGS: 2637 15:47:25 0.209207 0.0385 BFGS: 2638 15:47:25 0.206003 0.0382 BFGS: 2639 15:47:25 0.202826 0.0379 BFGS: 2640 15:47:25 0.199674 0.0376 BFGS: 2641 15:47:25 0.196547 0.0373 BFGS: 2642 15:47:25 0.193447 0.0370 BFGS: 2643 15:47:25 0.190373 0.0367 BFGS: 2644 15:47:25 0.187324 0.0363 BFGS: 2645 15:47:25 0.184301 0.0360 BFGS: 2646 15:47:25 0.181303 0.0357 BFGS: 2647 15:47:25 0.178331 0.0354 BFGS: 2648 15:47:25 0.175385 0.0351 BFGS: 2649 15:47:25 0.172465 0.0348 BFGS: 2650 15:47:25 0.169570 0.0345 BFGS: 2651 15:47:25 0.166700 0.0342 BFGS: 2652 15:47:25 0.163857 0.0339 BFGS: 2653 15:47:25 0.161038 0.0336 BFGS: 2654 15:47:25 0.158245 0.0333 BFGS: 2655 15:47:25 0.155478 0.0330 BFGS: 2656 15:47:25 0.152736 0.0326 BFGS: 2657 15:47:25 0.150019 0.0323 BFGS: 2658 15:47:25 0.147328 0.0320 BFGS: 2659 15:47:25 0.144662 0.0317 BFGS: 2660 15:47:25 0.142021 0.0314 BFGS: 2661 15:47:25 0.139406 0.0311 BFGS: 2662 15:47:25 0.136816 0.0308 BFGS: 2663 15:47:25 0.134251 0.0305 BFGS: 2664 15:47:25 0.131711 0.0302 BFGS: 2665 15:47:25 0.129196 0.0299 BFGS: 2666 15:47:25 0.126707 0.0296 BFGS: 2667 15:47:25 0.124243 0.0293 BFGS: 2668 15:47:26 0.121804 0.0290 BFGS: 2669 15:47:26 0.119389 0.0287 BFGS: 2670 15:47:26 0.117000 0.0284 BFGS: 2671 15:47:26 0.114636 0.0281 BFGS: 2672 15:47:26 0.112297 0.0278 BFGS: 2673 15:47:26 0.109983 0.0275 BFGS: 2674 15:47:26 0.107693 0.0272 BFGS: 2675 15:47:26 0.105429 0.0269 BFGS: 2676 15:47:26 0.103190 0.0266 BFGS: 2677 15:47:26 0.100975 0.0263 BFGS: 2678 15:47:26 0.098785 0.0260 BFGS: 2679 15:47:26 0.096620 0.0257 BFGS: 2680 15:47:26 0.094480 0.0254 BFGS: 2681 15:47:26 0.092364 0.0251 BFGS: 2682 15:47:26 0.090273 0.0248 BFGS: 2683 15:47:26 0.088207 0.0245 BFGS: 2684 15:47:26 0.086166 0.0242 BFGS: 2685 15:47:26 0.084149 0.0239 BFGS: 2686 15:47:26 0.082156 0.0236 BFGS: 2687 15:47:26 0.080189 0.0233 BFGS: 2688 15:47:26 0.078245 0.0230 BFGS: 2689 15:47:26 0.076327 0.0228 BFGS: 2690 15:47:26 0.074433 0.0225 BFGS: 2691 15:47:26 0.072563 0.0222 BFGS: 2692 15:47:26 0.070718 0.0219 BFGS: 2693 15:47:26 0.068897 0.0216 BFGS: 2694 15:47:26 0.067100 0.0213 BFGS: 2695 15:47:26 0.065328 0.0210 BFGS: 2696 15:47:26 0.063581 0.0207 BFGS: 2697 15:47:26 0.061857 0.0204 BFGS: 2698 15:47:26 0.060158 0.0201 BFGS: 2699 15:47:26 0.058483 0.0198 BFGS: 2700 15:47:26 0.056833 0.0195 BFGS: 2701 15:47:26 0.055206 0.0193 BFGS: 2702 15:47:26 0.053604 0.0190 BFGS: 2703 15:47:26 0.052026 0.0187 BFGS: 2704 15:47:26 0.050472 0.0184 BFGS: 2705 15:47:26 0.048942 0.0181 BFGS: 2706 15:47:26 0.047436 0.0178 BFGS: 2707 15:47:26 0.045955 0.0175 BFGS: 2708 15:47:26 0.044497 0.0172 BFGS: 2709 15:47:26 0.043063 0.0169 BFGS: 2710 15:47:26 0.041654 0.0167 BFGS: 2711 15:47:26 0.040268 0.0164 BFGS: 2712 15:47:26 0.038906 0.0161 BFGS: 2713 15:47:26 0.037568 0.0158 BFGS: 2714 15:47:26 0.036254 0.0155 BFGS: 2715 15:47:26 0.034964 0.0152 BFGS: 2716 15:47:26 0.033698 0.0149 BFGS: 2717 15:47:26 0.032455 0.0147 BFGS: 2718 15:47:26 0.031236 0.0144 BFGS: 2719 15:47:26 0.030041 0.0141 BFGS: 2720 15:47:26 0.028870 0.0138 BFGS: 2721 15:47:26 0.027722 0.0135 BFGS: 2722 15:47:26 0.026598 0.0132 BFGS: 2723 15:47:26 0.025498 0.0130 BFGS: 2724 15:47:26 0.024421 0.0127 BFGS: 2725 15:47:26 0.023368 0.0124 BFGS: 2726 15:47:26 0.022339 0.0121 BFGS: 2727 15:47:26 0.021333 0.0118 BFGS: 2728 15:47:26 0.020350 0.0116 BFGS: 2729 15:47:26 0.019391 0.0113 BFGS: 2730 15:47:26 0.018456 0.0110 BFGS: 2731 15:47:26 0.017544 0.0107 BFGS: 2732 15:47:26 0.016655 0.0104 BFGS: 2733 15:47:26 0.015790 0.0102 BFGS: 2734 15:47:26 0.014948 0.0099 BFGS: 2735 15:47:26 0.014130 0.0096 BFGS: 2736 15:47:26 0.013335 0.0093 BFGS: 2737 15:47:26 0.012563 0.0090 BFGS: 2738 15:47:26 0.011814 0.0088 BFGS: 2739 15:47:26 0.011089 0.0085 BFGS: 2740 15:47:26 0.010387 0.0082 BFGS: 2741 15:47:26 0.009708 0.0079 BFGS: 2742 15:47:26 0.009052 0.0077 BFGS: 2743 15:47:26 0.008419 0.0074 BFGS: 2744 15:47:26 0.007810 0.0071 BFGS: 2745 15:47:26 0.007223 0.0068 BFGS: 2746 15:47:26 0.006660 0.0066 BFGS: 2747 15:47:26 0.006120 0.0063 BFGS: 2748 15:47:26 0.005603 0.0060 BFGS: 2749 15:47:26 0.005108 0.0057 BFGS: 2750 15:47:26 0.004637 0.0055 BFGS: 2751 15:47:26 0.004189 0.0052 BFGS: 2752 15:47:26 0.003764 0.0049 BFGS: 2753 15:47:26 0.003361 0.0047 BFGS: 2754 15:47:26 0.002982 0.0044 BFGS: 2755 15:47:26 0.002625 0.0041 BFGS: 2756 15:47:26 0.002291 0.0038 BFGS: 2757 15:47:26 0.001980 0.0036 BFGS: 2758 15:47:26 0.001692 0.0033 BFGS: 2759 15:47:26 0.001426 0.0030 BFGS: 2760 15:47:26 0.001183 0.0028 BFGS: 2761 15:47:26 0.000963 0.0025 BFGS: 2762 15:47:26 0.000766 0.0022 BFGS: 2763 15:47:26 0.000591 0.0020 BFGS: 2764 15:47:26 0.000439 0.0018 BFGS: 2765 15:47:26 0.000310 0.0017 BFGS: 2766 15:47:26 0.000203 0.0016 BFGS: 2767 15:47:26 0.000119 0.0015 BFGS: 2768 15:47:26 0.000057 0.0014 BFGS: 2769 15:47:26 0.000018 0.0012 BFGS: 2770 15:47:26 0.000001 0.0011 BFGS: 2771 15:47:26 0.000000 0.0008 BFGS: 2772 15:47:26 0.000000 0.0005 BFGS: 2773 15:47:26 0.000000 0.0003 BFGS: 2774 15:47:26 0.000000 0.0001 BFGS: 2775 15:47:26 0.000000 0.0000 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