element(s): ['C', 'H', 'N', 'O'] AFLOW prototype label: A2B5CD_hR54_161_2b_5b_b_b Parameter names: ['a', 'c/a', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['11.514628', '1.2062069', '0.69222332', '0.90719908', '0.50339295', '0.70262604', '0.037987377', '0.37202327', '0.67928086', '0.28977969', '0.34035701', '0.61389078', '0.21365904', '0.53303942', '0.81216722', '0.90195935', '0.56811626', '0.59834466', '0.93572694', '0.59562991', '0.66669015', '0.7857935', '0.44754403', '0.6574486', '0.19047165', '0.41604927', '0.75498184', '0.003310305', '0.22958873'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C', 'H', 'H', 'H', 'H', 'H', 'N', 'O'] representative atom coordinates = [[0.99128487 0.1975455 0.70093845] [0.33174714 0.99885563 0.3708789 ] [0.24280834 0.09611551 0.43647252] [0.16036103 0.92049033 0.45352975] [0.05141961 0.19263135 0.76074761] [0.88844416 0.11427059 0.7099005 ] [0.03334759 0.18579853 0.63334256] [0.23612543 0.0052739 0.42132317] [0.42568821 0.0997049 0.32929362]] spacegroup = 161 cell = [[11.5146, 0, 0], [-5.7573, 9.9719361144163, 0], [0, 0, 13.889]] ========================================= Step Time Energy fmax BFGS: 0 15:44:05 -771.457693 109.8419 BFGS: 1 15:44:06 -917.895597 28.4293 BFGS: 2 15:44:06 -936.940091 28.2569 BFGS: 3 15:44:06 -914.678337 59.4197 BFGS: 4 15:44:06 -929.428730 16.6231 BFGS: 5 15:44:07 -956.490013 7.4926 BFGS: 6 15:44:07 -914.445814 80.6293 BFGS: 7 15:44:07 -937.160517 20.4415 BFGS: 8 15:44:08 -956.966407 14.9239 BFGS: 9 15:44:09 -940.812067 28.5270 BFGS: 10 15:44:09 -945.352028 27.0967 BFGS: 11 15:44:10 -937.390685 33.4751 BFGS: 12 15:44:10 -960.663308 9.8539 BFGS: 13 15:44:10 -961.541953 7.0009 BFGS: 14 15:44:11 -964.185897 4.0482 BFGS: 15 15:44:11 -966.305045 2.8894 BFGS: 16 15:44:12 -969.256916 7.3041 BFGS: 17 15:44:12 -971.766315 13.8184 BFGS: 18 15:44:13 -981.961555 3.5568 BFGS: 19 15:44:13 -990.034604 5.0799 BFGS: 20 15:44:13 -1000.417793 6.4780 BFGS: 21 15:44:14 -1014.054801 8.3865 BFGS: 22 15:44:14 -1031.005682 10.0717 BFGS: 23 15:44:15 -1049.671601 8.7963 BFGS: 24 15:44:15 -1062.048868 14.4298 BFGS: 25 15:44:15 -1075.302373 10.0178 BFGS: 26 15:44:16 -1087.849304 7.7627 BFGS: 27 15:44:16 -1098.700827 9.7074 BFGS: 28 15:44:16 -1109.600171 11.9620 BFGS: 29 15:44:16 -1120.739020 15.1690 BFGS: 30 15:44:17 -1133.500359 19.2178 BFGS: 31 15:44:17 -1146.353864 31.5085 BFGS: 32 15:44:17 -1158.709726 46.6331 BFGS: 33 15:44:18 -1168.169419 59.2350 BFGS: 34 15:44:18 -1182.953174 60.9765 BFGS: 35 15:44:18 -1196.439251 61.5328 BFGS: 36 15:44:19 -1210.856323 55.4634 BFGS: 37 15:44:19 -1223.784809 61.7483 BFGS: 38 15:44:19 -1240.146779 73.0629 BFGS: 39 15:44:20 -1259.749632 79.6083 BFGS: 40 15:44:20 -1281.179255 79.0380 BFGS: 41 15:44:21 -1304.483151 74.2395 BFGS: 42 15:44:21 -1328.724551 67.3006 BFGS: 43 15:44:21 -1353.724108 59.4594 BFGS: 44 15:44:22 -1379.946282 61.2478 BFGS: 45 15:44:22 -1406.559832 61.5160 BFGS: 46 15:44:22 -1433.202715 58.4506 BFGS: 47 15:44:23 -1459.604337 53.4696 BFGS: 48 15:44:23 -1486.265152 43.2074 BFGS: 49 15:44:24 -1518.114551 36.3880 BFGS: 50 15:44:24 -1566.817332 37.8963 BFGS: 51 15:44:24 -1595.342682 40.1071 BFGS: 52 15:44:25 -1625.281645 32.8256 BFGS: 53 15:44:25 -1647.864574 30.6341 BFGS: 54 15:44:26 -1672.260413 32.9701 BFGS: 55 15:44:26 -1688.038299 31.6118 BFGS: 56 15:44:27 -1709.003814 22.2448 BFGS: 57 15:44:27 -1727.873832 17.3857 BFGS: 58 15:44:27 -1744.080113 20.7220 BFGS: 59 15:44:28 -1757.650820 22.9586 BFGS: 60 15:44:28 -1770.680977 24.4401 BFGS: 61 15:44:28 -1783.573107 24.8801 BFGS: 62 15:44:29 -1797.599351 27.5821 BFGS: 63 15:44:29 -1812.989199 27.9328 BFGS: 64 15:44:29 -1826.624206 25.2231 BFGS: 65 15:44:30 -1840.577647 22.5017 BFGS: 66 15:44:30 -1853.303866 21.5606 BFGS: 67 15:44:30 -1865.741363 23.7230 BFGS: 68 15:44:31 -1876.090833 23.5023 BFGS: 69 15:44:31 -1885.686285 26.5067 BFGS: 70 15:44:32 -1895.884916 24.6898 BFGS: 71 15:44:32 -1903.755223 23.3313 BFGS: 72 15:44:32 -1910.319287 22.5999 BFGS: 73 15:44:33 -1915.853900 21.5948 BFGS: 74 15:44:33 -1921.373896 21.1618 BFGS: 75 15:44:33 -1926.693453 20.5417 BFGS: 76 15:44:34 -1932.049354 20.3606 BFGS: 77 15:44:34 -1937.299295 19.8721 BFGS: 78 15:44:35 -1942.591770 19.7994 BFGS: 79 15:44:35 -1947.796823 19.3991 BFGS: 80 15:44:35 -1952.982128 19.2646 BFGS: 81 15:44:36 -1958.073600 18.8893 BFGS: 82 15:44:36 -1963.070275 18.6356 BFGS: 83 15:44:36 -1967.951014 18.3234 BFGS: 84 15:44:37 -1972.678087 18.0299 BFGS: 85 15:44:37 -1977.263841 17.7252 BFGS: 86 15:44:38 -1981.657828 17.3214 BFGS: 87 15:44:38 -1985.911054 16.9253 BFGS: 88 15:44:38 -1989.956679 16.4287 BFGS: 89 15:44:39 -1993.889822 15.9725 BFGS: 90 15:44:39 -1997.606234 15.4111 BFGS: 91 15:44:39 -2001.248637 14.9155 BFGS: 92 15:44:40 -2004.679585 14.3227 BFGS: 93 15:44:40 -2008.072519 13.7769 BFGS: 94 15:44:41 -2011.288665 13.2292 BFGS: 95 15:44:41 -2014.465204 12.6181 BFGS: 96 15:44:41 -2017.551398 12.1434 BFGS: 97 15:44:42 -2020.578719 11.5325 BFGS: 98 15:44:42 -2023.593818 11.1020 BFGS: 99 15:44:42 -2026.561377 10.5590 BFGS: 100 15:44:43 -2029.555287 10.1586 BFGS: 101 15:44:43 -2032.530728 9.7095 BFGS: 102 15:44:44 -2035.551832 9.3641 BFGS: 103 15:44:44 -2038.572061 9.0475 BFGS: 104 15:44:45 -2041.628858 9.2750 BFGS: 105 15:44:45 -2044.682432 9.9828 BFGS: 106 15:44:45 -2047.750130 10.7046 BFGS: 107 15:44:46 -2050.800879 11.3725 BFGS: 108 15:44:46 -2053.832775 11.9698 BFGS: 109 15:44:46 -2056.809566 12.4283 BFGS: 110 15:44:47 -2059.732090 12.7530 BFGS: 111 15:44:47 -2062.567330 12.8804 BFGS: 112 15:44:48 -2065.304497 12.8242 BFGS: 113 15:44:48 -2067.923430 12.5531 BFGS: 114 15:44:48 -2070.429550 12.1110 BFGS: 115 15:44:49 -2072.803665 11.4807 BFGS: 116 15:44:49 -2075.072169 10.9298 BFGS: 117 15:44:50 -2077.205185 10.8731 BFGS: 118 15:44:50 -2079.246719 10.7650 BFGS: 119 15:44:51 -2081.135184 10.5391 BFGS: 120 15:44:51 -2082.952752 10.2754 BFGS: 121 15:44:51 -2084.589196 9.8335 BFGS: 122 15:44:52 -2086.168414 9.4047 BFGS: 123 15:44:52 -2087.553288 8.7718 BFGS: 124 15:44:53 -2088.853778 8.1349 BFGS: 125 15:44:53 -2089.987375 7.3566 BFGS: 126 15:44:53 -2091.007635 6.5593 BFGS: 127 15:44:54 -2091.889766 5.6971 BFGS: 128 15:44:54 -2092.663014 4.9954 BFGS: 129 15:44:54 -2093.329458 5.3471 BFGS: 130 15:44:55 -2093.912326 5.5666 BFGS: 131 15:44:55 -2094.423912 5.8810 BFGS: 132 15:44:55 -2094.882585 5.9589 BFGS: 133 15:44:56 -2095.301848 6.1958 BFGS: 134 15:44:56 -2095.693326 6.5532 BFGS: 135 15:44:57 -2096.069186 6.9563 BFGS: 136 15:44:57 -2096.434587 7.2564 BFGS: 137 15:44:57 -2096.796735 7.5293 BFGS: 138 15:44:57 -2097.156387 7.6928 BFGS: 139 15:44:57 -2097.515840 7.8681 BFGS: 140 15:44:57 -2097.874604 7.9209 BFGS: 141 15:44:58 -2098.232770 8.0169 BFGS: 142 15:44:58 -2098.590381 8.0022 BFGS: 143 15:44:58 -2098.945439 8.0163 BFGS: 144 15:44:58 -2099.300184 7.9542 BFGS: 145 15:44:58 -2099.652691 7.8971 BFGS: 146 15:44:59 -2100.005202 7.7967 BFGS: 147 15:44:59 -2100.356480 7.6877 BFGS: 148 15:44:59 -2100.708771 7.5581 BFGS: 149 15:44:59 -2101.061367 7.4103 BFGS: 150 15:44:59 -2101.416509 7.2559 BFGS: 151 15:44:59 -2101.773752 7.0866 BFGS: 152 15:44:59 -2102.135716 6.9135 BFGS: 153 15:45:00 -2102.501083 6.7348 BFGS: 154 15:45:00 -2102.871216 6.5491 BFGS: 155 15:45:00 -2103.246771 6.3591 BFGS: 156 15:45:00 -2103.628464 6.4525 BFGS: 157 15:45:00 -2104.015956 6.5487 BFGS: 158 15:45:00 -2104.410661 6.6213 BFGS: 159 15:45:00 -2104.808643 6.6769 BFGS: 160 15:45:01 -2105.215763 6.7355 BFGS: 161 15:45:01 -2105.626110 6.7704 BFGS: 162 15:45:01 -2106.046354 6.8150 BFGS: 163 15:45:01 -2106.473200 6.8212 BFGS: 164 15:45:01 -2106.909857 6.8377 BFGS: 165 15:45:01 -2107.352046 6.8317 BFGS: 166 15:45:01 -2107.803170 6.8923 BFGS: 167 15:45:02 -2108.262044 7.1482 BFGS: 168 15:45:02 -2108.723652 7.4005 BFGS: 169 15:45:02 -2109.195089 7.6281 BFGS: 170 15:45:02 -2109.674137 7.8502 BFGS: 171 15:45:02 -2110.161519 8.0513 BFGS: 172 15:45:02 -2110.656026 8.2437 BFGS: 173 15:45:02 -2111.158663 8.4216 BFGS: 174 15:45:03 -2111.663628 8.5864 BFGS: 175 15:45:03 -2112.177577 8.7291 BFGS: 176 15:45:03 -2112.696848 8.8616 BFGS: 177 15:45:03 -2113.220119 8.9757 BFGS: 178 15:45:03 -2113.746388 9.0914 BFGS: 179 15:45:03 -2114.277352 9.1827 BFGS: 180 15:45:04 -2114.807830 9.2724 BFGS: 181 15:45:04 -2115.343258 9.3378 BFGS: 182 15:45:04 -2115.875734 9.4065 BFGS: 183 15:45:04 -2116.410587 9.4443 BFGS: 184 15:45:04 -2116.940600 9.4840 BFGS: 185 15:45:04 -2117.472330 9.5060 BFGS: 186 15:45:04 -2117.995649 9.5258 BFGS: 187 15:45:05 -2118.517697 9.5419 BFGS: 188 15:45:05 -2119.031717 9.5419 BFGS: 189 15:45:05 -2119.549296 9.5449 BFGS: 190 15:45:05 -2120.053117 9.5337 BFGS: 191 15:45:05 -2120.563664 9.5276 BFGS: 192 15:45:06 -2121.057983 9.5088 BFGS: 193 15:45:06 -2121.559078 9.4952 BFGS: 194 15:45:06 -2122.048023 9.4762 BFGS: 195 15:45:06 -2122.535667 9.4673 BFGS: 196 15:45:06 -2123.019144 9.4390 BFGS: 197 15:45:07 -2123.501289 9.4249 BFGS: 198 15:45:07 -2123.980282 9.3946 BFGS: 199 15:45:08 -2124.456854 9.3779 BFGS: 200 15:45:08 -2124.931900 9.3521 BFGS: 201 15:45:08 -2125.403331 9.3424 BFGS: 202 15:45:09 -2125.876206 9.3095 BFGS: 203 15:45:09 -2126.344887 9.2997 BFGS: 204 15:45:09 -2126.816136 9.2697 BFGS: 205 15:45:09 -2127.283645 9.2613 BFGS: 206 15:45:09 -2127.754351 9.2351 BFGS: 207 15:45:10 -2128.221936 9.2285 BFGS: 208 15:45:10 -2128.693136 9.2309 BFGS: 209 15:45:10 -2129.162024 9.2646 BFGS: 210 15:45:10 -2129.634719 9.2923 BFGS: 211 15:45:10 -2130.106014 9.3285 BFGS: 212 15:45:10 -2130.581166 9.3598 BFGS: 213 15:45:11 -2131.055918 9.3989 BFGS: 214 15:45:11 -2131.535493 9.4343 BFGS: 215 15:45:11 -2132.014568 9.4790 BFGS: 216 15:45:11 -2132.497374 9.5186 BFGS: 217 15:45:11 -2132.981030 9.5660 BFGS: 218 15:45:11 -2133.468269 9.6105 BFGS: 219 15:45:12 -2133.956903 9.6615 BFGS: 220 15:45:12 -2134.448662 9.7116 BFGS: 221 15:45:12 -2134.941978 9.7674 BFGS: 222 15:45:12 -2135.437202 9.8274 BFGS: 223 15:45:12 -2135.936226 9.8913 BFGS: 224 15:45:12 -2136.367438 10.1893 BFGS: 225 15:45:12 -2136.884637 10.2275 BFGS: 226 15:45:13 -2137.394133 10.2719 BFGS: 227 15:45:13 -2137.907645 10.3275 BFGS: 228 15:45:13 -2138.440187 10.3571 BFGS: 229 15:45:13 -2138.965382 10.4301 BFGS: 230 15:45:13 -2139.530397 10.3936 BFGS: 231 15:45:13 -2140.099450 10.3494 BFGS: 232 15:45:13 -2140.669595 10.3074 BFGS: 233 15:45:14 -2141.246928 10.2745 BFGS: 234 15:45:14 -2141.826010 10.2392 BFGS: 235 15:45:14 -2142.410634 10.2090 BFGS: 236 15:45:14 -2143.000179 10.1777 BFGS: 237 15:45:14 -2143.596136 10.1488 BFGS: 238 15:45:14 -2144.199314 10.1185 BFGS: 239 15:45:15 -2144.810698 10.0895 BFGS: 240 15:45:15 -2145.431110 10.0887 BFGS: 241 15:45:15 -2146.061601 10.2202 BFGS: 242 15:45:15 -2146.703063 10.3536 BFGS: 243 15:45:15 -2147.356659 10.4911 BFGS: 244 15:45:15 -2148.023397 10.6309 BFGS: 245 15:45:15 -2148.704599 10.7753 BFGS: 246 15:45:16 -2149.401441 10.9227 BFGS: 247 15:45:16 -2150.115459 11.0754 BFGS: 248 15:45:16 -2150.848260 11.2319 BFGS: 249 15:45:17 -2151.603848 11.3932 BFGS: 250 15:45:17 -2152.381106 11.5624 BFGS: 251 15:45:17 -2153.182673 11.7371 BFGS: 252 15:45:18 -2154.010753 11.9204 BFGS: 253 15:45:18 -2154.868081 12.1117 BFGS: 254 15:45:18 -2155.757618 12.3133 BFGS: 255 15:45:19 -2156.682761 12.5256 BFGS: 256 15:45:19 -2157.647431 12.7509 BFGS: 257 15:45:20 -2158.656117 12.9901 BFGS: 258 15:45:20 -2159.714139 13.2461 BFGS: 259 15:45:21 -2160.827690 13.5200 BFGS: 260 15:45:21 -2162.004268 13.8156 BFGS: 261 15:45:21 -2163.252834 14.1344 BFGS: 262 15:45:21 -2164.584525 14.4810 BFGS: 263 15:45:22 -2166.013184 14.8571 BFGS: 264 15:45:22 -2167.556704 15.2680 BFGS: 265 15:45:22 -2169.238697 15.7151 BFGS: 266 15:45:22 -2171.091688 16.2037 BFGS: 267 15:45:22 -2173.162548 16.8113 BFGS: 268 15:45:23 -2175.522250 17.5862 BFGS: 269 15:45:23 -2178.285232 18.4537 BFGS: 270 15:45:23 -2181.645523 19.4476 BFGS: 271 15:45:23 -2185.949058 20.6546 BFGS: 272 15:45:23 -2191.814302 22.2057 BFGS: 273 15:45:23 -2200.243498 24.2374 BFGS: 274 15:45:24 -2212.149450 26.1106 BFGS: 275 15:45:24 -2224.253490 23.7419 BFGS: 276 15:45:24 -2230.457269 21.3111 BFGS: 277 15:45:24 -2235.475869 22.2796 BFGS: 278 15:45:24 -2239.895807 23.4467 BFGS: 279 15:45:24 -2244.391191 24.7116 BFGS: 280 15:45:25 -2248.876738 25.9692 BFGS: 281 15:45:25 -2253.432596 27.3329 BFGS: 282 15:45:25 -2258.043561 28.3768 BFGS: 283 15:45:25 -2262.646882 29.4557 BFGS: 284 15:45:25 -2267.262084 30.0476 BFGS: 285 15:45:25 -2271.729730 30.4236 BFGS: 286 15:45:26 -2275.987850 30.1953 BFGS: 287 15:45:26 -2279.841289 29.5463 BFGS: 288 15:45:26 -2283.194012 28.2937 BFGS: 289 15:45:26 -2285.972801 26.7113 BFGS: 290 15:45:26 -2288.233034 24.9092 BFGS: 291 15:45:26 -2290.123912 23.1402 BFGS: 292 15:45:26 -2291.763418 21.5525 BFGS: 293 15:45:27 -2293.274721 20.1006 BFGS: 294 15:45:27 -2294.678653 18.9089 BFGS: 295 15:45:27 -2296.029632 17.7923 BFGS: 296 15:45:27 -2297.310202 17.2136 BFGS: 297 15:45:27 -2298.544474 17.0864 BFGS: 298 15:45:27 -2299.717170 16.8854 BFGS: 299 15:45:27 -2300.839618 16.7126 BFGS: 300 15:45:28 -2301.903981 16.4985 BFGS: 301 15:45:28 -2302.919972 16.2921 BFGS: 302 15:45:28 -2303.885051 16.0580 BFGS: 303 15:45:28 -2304.807190 15.8276 BFGS: 304 15:45:28 -2305.687365 15.5796 BFGS: 305 15:45:28 -2306.532914 15.3351 BFGS: 306 15:45:28 -2307.345014 15.0755 BFGS: 307 15:45:29 -2308.130108 14.8230 BFGS: 308 15:45:29 -2308.889350 14.5590 BFGS: 309 15:45:29 -2309.628687 14.3053 BFGS: 310 15:45:29 -2310.349202 14.0453 BFGS: 311 15:45:29 -2311.056974 13.7982 BFGS: 312 15:45:29 -2311.753673 13.5526 BFGS: 313 15:45:30 -2312.446487 13.3270 BFGS: 314 15:45:30 -2313.138508 13.1051 BFGS: 315 15:45:30 -2313.843635 12.8923 BFGS: 316 15:45:30 -2314.578385 12.6716 BFGS: 317 15:45:30 -2315.374999 12.4504 BFGS: 318 15:45:30 -2316.278694 12.2141 BFGS: 319 15:45:31 -2317.389989 11.9671 BFGS: 320 15:45:31 -2318.867522 11.7623 BFGS: 321 15:45:31 -2321.047973 11.5717 BFGS: 322 15:45:32 -2324.279176 11.7210 BFGS: 323 15:45:32 -2329.127644 11.7964 BFGS: 324 15:45:32 -2335.885576 12.7505 BFGS: 325 15:45:33 -2343.858969 12.9011 BFGS: 326 15:45:33 -2347.777361 13.8585 BFGS: 327 15:45:33 -2349.836305 11.0201 BFGS: 328 15:45:34 -2351.188014 8.3395 BFGS: 329 15:45:34 -2353.198988 10.3236 BFGS: 330 15:45:35 -2356.254632 12.9504 BFGS: 331 15:45:35 -2358.450114 12.3346 BFGS: 332 15:45:35 -2360.015863 10.4937 BFGS: 333 15:45:36 -2361.664396 9.9332 BFGS: 334 15:45:36 -2362.699450 9.2473 BFGS: 335 15:45:36 -2363.688442 8.7273 BFGS: 336 15:45:37 -2364.630973 8.4566 BFGS: 337 15:45:37 -2365.546543 8.5903 BFGS: 338 15:45:37 -2366.432664 8.7119 BFGS: 339 15:45:38 -2367.300359 8.8481 BFGS: 340 15:45:38 -2368.150887 8.9904 BFGS: 341 15:45:38 -2368.995963 9.1554 BFGS: 342 15:45:38 -2369.840704 9.3077 BFGS: 343 15:45:39 -2370.695306 9.4663 BFGS: 344 15:45:39 -2371.565459 9.6241 BFGS: 345 15:45:39 -2372.454968 9.7775 BFGS: 346 15:45:39 -2373.369003 9.9433 BFGS: 347 15:45:40 -2374.307181 10.1063 BFGS: 348 15:45:40 -2375.276547 10.2719 BFGS: 349 15:45:41 -2376.278298 10.4350 BFGS: 350 15:45:41 -2377.317068 10.6010 BFGS: 351 15:45:41 -2378.392296 10.7585 BFGS: 352 15:45:42 -2379.506638 10.9183 BFGS: 353 15:45:42 -2380.656128 11.0592 BFGS: 354 15:45:43 -2381.841375 11.1987 BFGS: 355 15:45:43 -2383.054824 11.3012 BFGS: 356 15:45:43 -2384.289322 11.4070 BFGS: 357 15:45:44 -2385.526126 11.4486 BFGS: 358 15:45:44 -2386.763178 11.5015 BFGS: 359 15:45:45 -2387.985562 11.4388 BFGS: 360 15:45:45 -2389.194927 11.3508 BFGS: 361 15:45:45 -2390.372896 11.1320 BFGS: 362 15:45:45 -2391.519593 10.8585 BFGS: 363 15:45:46 -2392.616837 10.4360 BFGS: 364 15:45:46 -2393.664482 9.9361 BFGS: 365 15:45:46 -2394.647182 9.2614 BFGS: 366 15:45:46 -2395.567622 8.5047 BFGS: 367 15:45:46 -2396.416822 7.5591 BFGS: 368 15:45:46 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6.0057 BFGS: 750 15:46:54 -2542.199585 6.0592 BFGS: 751 15:46:54 -2542.291382 6.1012 BFGS: 752 15:46:54 -2542.381498 6.1546 BFGS: 753 15:46:54 -2542.473335 6.2017 BFGS: 754 15:46:55 -2542.565787 6.2493 BFGS: 755 15:46:55 -2542.658913 6.3014 BFGS: 756 15:46:55 -2542.752305 6.3504 BFGS: 757 15:46:55 -2542.847431 6.3942 BFGS: 758 15:46:55 -2542.942316 6.4467 BFGS: 759 15:46:55 -2543.038594 6.4922 BFGS: 760 15:46:55 -2543.136127 6.5394 BFGS: 761 15:46:56 -2543.233880 6.5795 BFGS: 762 15:46:56 -2543.333527 6.6238 BFGS: 763 15:46:56 -2543.434222 6.6615 BFGS: 764 15:46:56 -2543.536779 6.7019 BFGS: 765 15:46:56 -2543.639891 6.7435 BFGS: 766 15:46:56 -2543.743922 6.7819 BFGS: 767 15:46:57 -2543.849565 6.8201 BFGS: 768 15:46:57 -2543.956336 6.8554 BFGS: 769 15:46:57 -2544.064584 6.8900 BFGS: 770 15:46:57 -2544.174032 6.9226 BFGS: 771 15:46:57 -2544.285431 6.9542 BFGS: 772 15:46:57 -2544.394860 6.9868 BFGS: 773 15:46:58 -2544.506109 7.0181 BFGS: 774 15:46:58 -2544.618456 7.0489 BFGS: 775 15:46:58 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-4077.907914 19.2962 BFGS: 1545 15:50:14 -4078.595037 19.5679 BFGS: 1546 15:50:14 -4079.445990 20.2175 BFGS: 1547 15:50:15 -4080.727772 21.7359 BFGS: 1548 15:50:15 -4082.129744 22.7995 BFGS: 1549 15:50:15 -4084.061582 22.8177 BFGS: 1550 15:50:16 -4085.384825 21.8964 BFGS: 1551 15:50:16 -4086.646647 20.5249 BFGS: 1552 15:50:16 -4087.952586 18.8973 BFGS: 1553 15:50:17 -4089.360967 17.6144 BFGS: 1554 15:50:17 -4090.922985 18.1028 BFGS: 1555 15:50:17 -4092.706577 18.7066 BFGS: 1556 15:50:17 -4094.792430 19.1179 BFGS: 1557 15:50:18 -4097.304476 19.2290 BFGS: 1558 15:50:18 -4100.408187 18.8835 BFGS: 1559 15:50:18 -4104.165775 17.9071 BFGS: 1560 15:50:19 -4108.137898 17.7744 BFGS: 1561 15:50:19 -4112.489958 13.9546 BFGS: 1562 15:50:19 -4113.899426 12.5521 BFGS: 1563 15:50:20 -4114.699500 10.8609 BFGS: 1564 15:50:20 -4115.171000 9.2784 BFGS: 1565 15:50:20 -4115.316850 7.7496 BFGS: 1566 15:50:20 -4115.477925 7.5409 BFGS: 1567 15:50:21 -4115.687216 7.1660 BFGS: 1568 15:50:21 -4115.816166 7.5311 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2.9676 BFGS: 1719 15:51:05 -4133.296242 2.9961 BFGS: 1720 15:51:06 -4133.341310 3.0247 BFGS: 1721 15:51:06 -4133.385918 3.0532 BFGS: 1722 15:51:06 -4133.430070 3.0817 BFGS: 1723 15:51:07 -4133.473769 3.1101 BFGS: 1724 15:51:07 -4133.517016 3.1384 BFGS: 1725 15:51:07 -4133.559817 3.1668 BFGS: 1726 15:51:07 -4133.602280 3.1951 BFGS: 1727 15:51:08 -4133.644133 3.2221 BFGS: 1728 15:51:08 -4133.685618 3.2510 BFGS: 1729 15:51:08 -4133.726735 3.2790 BFGS: 1730 15:51:09 -4133.767390 3.3075 BFGS: 1731 15:51:09 -4133.807658 3.3360 BFGS: 1732 15:51:09 -4133.847570 3.3596 BFGS: 1733 15:51:09 -4133.886840 3.3904 BFGS: 1734 15:51:10 -4133.925812 3.4186 BFGS: 1735 15:51:10 -4133.964455 3.4474 BFGS: 1736 15:51:10 -4134.002723 3.4761 BFGS: 1737 15:51:11 -4134.040611 3.5046 BFGS: 1738 15:51:11 -4134.078124 3.5328 BFGS: 1739 15:51:11 -4134.115263 3.5610 BFGS: 1740 15:51:11 -4134.152031 3.5891 BFGS: 1741 15:51:12 -4134.188430 3.6171 BFGS: 1742 15:51:12 -4134.224464 3.6450 BFGS: 1743 15:51:12 -4134.260136 3.6728 BFGS: 1744 15:51:13 -4134.295450 3.7005 BFGS: 1745 15:51:13 -4134.330408 3.7282 BFGS: 1746 15:51:13 -4134.365017 3.7558 BFGS: 1747 15:51:13 -4134.399279 3.7833 BFGS: 1748 15:51:14 -4134.433198 3.8107 BFGS: 1749 15:51:14 -4134.466830 3.8381 BFGS: 1750 15:51:14 -4134.500042 3.8654 BFGS: 1751 15:51:15 -4134.532951 3.8931 BFGS: 1752 15:51:15 -4134.565828 3.9203 BFGS: 1753 15:51:15 -4134.598065 3.9469 BFGS: 1754 15:51:15 -4134.630177 3.9756 BFGS: 1755 15:51:16 -4134.661932 4.0037 BFGS: 1756 15:51:16 -4134.693379 4.0310 BFGS: 1757 15:51:16 -4134.724534 4.0586 BFGS: 1758 15:51:16 -4134.755401 4.0858 BFGS: 1759 15:51:17 -4134.785988 4.1131 BFGS: 1760 15:51:17 -4134.816298 4.1401 BFGS: 1761 15:51:17 -4134.846476 4.1718 BFGS: 1762 15:51:18 -4134.876143 4.1959 BFGS: 1763 15:51:18 -4134.905662 4.2229 BFGS: 1764 15:51:18 -4134.935069 4.2509 BFGS: 1765 15:51:19 -4134.964194 4.2745 BFGS: 1766 15:51:19 -4134.992896 4.3037 BFGS: 1767 15:51:19 -4135.021420 4.3308 BFGS: 1768 15:51:20 -4135.049865 4.3584 BFGS: 1769 15:51:20 -4135.078035 4.3872 BFGS: 1770 15:51:20 -4135.106002 4.4150 BFGS: 1771 15:51:20 -4135.133745 4.4420 BFGS: 1772 15:51:21 -4135.161291 4.4692 BFGS: 1773 15:51:21 -4135.188646 4.4961 BFGS: 1774 15:51:21 -4135.215892 4.5272 BFGS: 1775 15:51:21 -4135.242898 4.5533 BFGS: 1776 15:51:22 -4135.269700 4.5807 BFGS: 1777 15:51:22 -4135.296309 4.6073 BFGS: 1778 15:51:22 -4135.322728 4.6342 BFGS: 1779 15:51:23 -4135.348959 4.6606 BFGS: 1780 15:51:23 -4135.375007 4.6871 BFGS: 1781 15:51:23 -4135.400874 4.7133 BFGS: 1782 15:51:24 -4135.426563 4.7395 BFGS: 1783 15:51:24 -4135.452076 4.7655 BFGS: 1784 15:51:24 -4135.477415 4.7914 BFGS: 1785 15:51:25 -4135.502583 4.8172 BFGS: 1786 15:51:25 -4135.527581 4.8429 BFGS: 1787 15:51:25 -4135.552412 4.8684 BFGS: 1788 15:51:25 -4135.577184 4.8967 BFGS: 1789 15:51:26 -4135.601704 4.9201 BFGS: 1790 15:51:26 -4135.626076 4.9458 BFGS: 1791 15:51:26 -4135.650285 4.9712 BFGS: 1792 15:51:27 -4135.674337 4.9965 BFGS: 1793 15:51:27 -4135.698235 5.0218 BFGS: 1794 15:51:27 -4135.721983 5.0469 BFGS: 1795 15:51:28 -4135.745582 5.0719 BFGS: 1796 15:51:28 -4135.769035 5.0969 BFGS: 1797 15:51:29 -4135.792343 5.1217 BFGS: 1798 15:51:29 -4135.815510 5.1465 BFGS: 1799 15:51:29 -4135.838537 5.1712 BFGS: 1800 15:51:30 -4135.861425 5.1957 BFGS: 1801 15:51:30 -4135.884176 5.2203 BFGS: 1802 15:51:30 -4135.906793 5.2447 BFGS: 1803 15:51:31 -4135.929277 5.2690 BFGS: 1804 15:51:31 -4135.951629 5.2933 BFGS: 1805 15:51:31 -4135.973852 5.3175 BFGS: 1806 15:51:32 -4135.995946 5.3416 BFGS: 1807 15:51:32 -4136.017914 5.3657 BFGS: 1808 15:51:32 -4136.039757 5.3896 BFGS: 1809 15:51:33 -4136.061476 5.4135 BFGS: 1810 15:51:33 -4136.083074 5.4373 BFGS: 1811 15:51:33 -4136.104552 5.4611 BFGS: 1812 15:51:34 -4136.125910 5.4848 BFGS: 1813 15:51:34 -4136.147152 5.5084 BFGS: 1814 15:51:34 -4136.168277 5.5319 BFGS: 1815 15:51:35 -4136.189288 5.5554 BFGS: 1816 15:51:35 -4136.210375 5.5788 BFGS: 1817 15:51:35 -4136.231353 5.6021 BFGS: 1818 15:51:36 -4136.252220 5.6257 BFGS: 1819 15:51:36 -4136.272970 5.6492 BFGS: 1820 15:51:36 -4136.293610 5.6726 BFGS: 1821 15:51:37 -4136.314141 5.6959 BFGS: 1822 15:51:37 -4136.334622 5.7191 BFGS: 1823 15:51:37 -4136.354935 5.7423 BFGS: 1824 15:51:38 -4136.375147 5.7653 BFGS: 1825 15:51:38 -4136.395260 5.7883 BFGS: 1826 15:51:38 -4136.415276 5.8112 BFGS: 1827 15:51:39 -4136.435194 5.8340 BFGS: 1828 15:51:39 -4136.455017 5.8568 BFGS: 1829 15:51:39 -4136.474745 5.8794 BFGS: 1830 15:51:40 -4136.494378 5.9020 BFGS: 1831 15:51:40 -4136.513919 5.9245 BFGS: 1832 15:51:40 -4136.533367 5.9469 BFGS: 1833 15:51:41 -4136.552758 5.9688 BFGS: 1834 15:51:41 -4136.572029 5.9925 BFGS: 1835 15:51:41 -4136.591212 6.0146 BFGS: 1836 15:51:42 -4136.610307 6.0369 BFGS: 1837 15:51:42 -4136.629311 6.0590 BFGS: 1838 15:51:42 -4136.648227 6.0811 BFGS: 1839 15:51:43 -4136.667055 6.1030 BFGS: 1840 15:51:43 -4136.685796 6.1249 BFGS: 1841 15:51:44 -4136.704453 6.1467 BFGS: 1842 15:51:44 -4136.723027 6.1684 BFGS: 1843 15:51:44 -4136.741517 6.1900 BFGS: 1844 15:51:45 -4136.759925 6.2115 BFGS: 1845 15:51:45 -4136.778252 6.2330 BFGS: 1846 15:51:45 -4136.796499 6.2544 BFGS: 1847 15:51:45 -4136.814666 6.2757 BFGS: 1848 15:51:46 -4136.832754 6.2969 BFGS: 1849 15:51:46 -4136.850764 6.3180 BFGS: 1850 15:51:46 -4136.868697 6.3391 BFGS: 1851 15:51:47 -4136.886701 6.3559 BFGS: 1852 15:51:47 -4136.904441 6.3777 BFGS: 1853 15:51:47 -4136.922119 6.3982 BFGS: 1854 15:51:47 -4136.939731 6.4191 BFGS: 1855 15:51:48 -4136.957278 6.4397 BFGS: 1856 15:51:48 -4136.974758 6.4604 BFGS: 1857 15:51:48 -4136.992170 6.4809 BFGS: 1858 15:51:49 -4137.009516 6.5015 BFGS: 1859 15:51:49 -4137.026795 6.5219 BFGS: 1860 15:51:49 -4137.044007 6.5423 BFGS: 1861 15:51:50 -4137.061152 6.5626 BFGS: 1862 15:51:50 -4137.078233 6.5828 BFGS: 1863 15:51:50 -4137.095278 6.6022 BFGS: 1864 15:51:50 -4137.112252 6.6229 BFGS: 1865 15:51:51 -4137.129154 6.6431 BFGS: 1866 15:51:51 -4137.145986 6.6635 BFGS: 1867 15:51:51 -4137.162750 6.6834 BFGS: 1868 15:51:52 -4137.179448 6.7034 BFGS: 1869 15:51:52 -4137.196081 6.7231 BFGS: 1870 15:51:52 -4137.212650 6.7429 BFGS: 1871 15:51:52 -4137.229156 6.7624 BFGS: 1872 15:51:53 -4137.245599 6.7819 BFGS: 1873 15:51:53 -4137.262068 6.8013 BFGS: 1874 15:51:53 -4137.278504 6.8262 BFGS: 1875 15:51:54 -4137.294728 6.8425 BFGS: 1876 15:51:54 -4137.310910 6.8615 BFGS: 1877 15:51:54 -4137.327042 6.8805 BFGS: 1878 15:51:54 -4137.343120 6.8994 BFGS: 1879 15:51:55 -4137.359147 6.9183 BFGS: 1880 15:51:55 -4137.375120 6.9370 BFGS: 1881 15:51:55 -4137.391040 6.9557 BFGS: 1882 15:51:55 -4137.406908 6.9743 BFGS: 1883 15:51:56 -4137.422722 6.9928 BFGS: 1884 15:51:56 -4137.438496 7.0105 BFGS: 1885 15:51:56 -4137.454202 7.0293 BFGS: 1886 15:51:57 -4137.469979 7.0476 BFGS: 1887 15:51:57 -4137.486155 7.0664 BFGS: 1888 15:51:57 -4137.502271 7.0845 BFGS: 1889 15:51:58 -4137.518331 7.1025 BFGS: 1890 15:51:58 -4137.534340 7.1204 BFGS: 1891 15:51:58 -4137.550297 7.1382 BFGS: 1892 15:51:59 -4137.566203 7.1560 BFGS: 1893 15:51:59 -4137.582059 7.1736 BFGS: 1894 15:51:59 -4137.597865 7.1911 BFGS: 1895 15:52:00 -4137.613623 7.2085 BFGS: 1896 15:52:00 -4137.629332 7.2259 BFGS: 1897 15:52:00 -4137.644994 7.2431 BFGS: 1898 15:52:01 -4137.660608 7.2603 BFGS: 1899 15:52:01 -4137.676176 7.2773 BFGS: 1900 15:52:01 -4137.691896 7.2942 BFGS: 1901 15:52:02 -4137.707568 7.3114 BFGS: 1902 15:52:02 -4137.723180 7.3282 BFGS: 1903 15:52:03 -4137.738745 7.3448 BFGS: 1904 15:52:03 -4137.754266 7.3614 BFGS: 1905 15:52:03 -4137.769743 7.3777 BFGS: 1906 15:52:03 -4137.785177 7.3941 BFGS: 1907 15:52:04 -4137.800569 7.4103 BFGS: 1908 15:52:04 -4137.815920 7.4264 BFGS: 1909 15:52:05 -4137.831230 7.4424 BFGS: 1910 15:52:05 -4137.846500 7.4583 BFGS: 1911 15:52:05 -4137.861729 7.4741 BFGS: 1912 15:52:06 -4137.876920 7.4897 BFGS: 1913 15:52:06 -4137.892073 7.5053 BFGS: 1914 15:52:07 -4137.907187 7.5207 BFGS: 1915 15:52:07 -4137.922264 7.5360 BFGS: 1916 15:52:07 -4137.937305 7.5513 BFGS: 1917 15:52:08 -4137.952553 7.5664 BFGS: 1918 15:52:08 -4137.967993 7.5807 BFGS: 1919 15:52:08 -4137.983525 7.5950 BFGS: 1920 15:52:09 -4137.999021 7.6100 BFGS: 1921 15:52:09 -4138.014484 7.6246 BFGS: 1922 15:52:10 -4138.029914 7.6392 BFGS: 1923 15:52:10 -4138.045310 7.6535 BFGS: 1924 15:52:10 -4138.060675 7.6679 BFGS: 1925 15:52:11 -4138.076006 7.6820 BFGS: 1926 15:52:11 -4138.091451 7.6961 BFGS: 1927 15:52:11 -4138.106981 7.7093 BFGS: 1928 15:52:12 -4138.122509 7.7226 BFGS: 1929 15:52:12 -4138.138002 7.7364 BFGS: 1930 15:52:12 -4138.153466 7.7496 BFGS: 1931 15:52:13 -4138.168902 7.7630 BFGS: 1932 15:52:13 -4138.184310 7.7761 BFGS: 1933 15:52:13 -4138.199720 7.7891 BFGS: 1934 15:52:14 -4138.215200 7.8013 BFGS: 1935 15:52:14 -4138.230659 7.8137 BFGS: 1936 15:52:15 -4138.246095 7.8261 BFGS: 1937 15:52:15 -4138.261505 7.8385 BFGS: 1938 15:52:15 -4138.276891 7.8507 BFGS: 1939 15:52:16 -4138.292252 7.8628 BFGS: 1940 15:52:16 -4138.307590 7.8747 BFGS: 1941 15:52:17 -4138.322905 7.8865 BFGS: 1942 15:52:17 -4138.338198 7.8982 BFGS: 1943 15:52:17 -4138.353470 7.9097 BFGS: 1944 15:52:18 -4138.368721 7.9210 BFGS: 1945 15:52:18 -4138.383953 7.9322 BFGS: 1946 15:52:18 -4138.399260 7.9437 BFGS: 1947 15:52:19 -4138.415261 7.9522 BFGS: 1948 15:52:19 -4138.431393 7.9620 BFGS: 1949 15:52:19 -4138.447750 7.9728 BFGS: 1950 15:52:20 -4138.464077 7.9825 BFGS: 1951 15:52:20 -4138.480619 7.9920 BFGS: 1952 15:52:21 -4138.497571 8.0018 BFGS: 1953 15:52:21 -4138.515377 8.0117 BFGS: 1954 15:52:21 -4138.533178 8.0214 BFGS: 1955 15:52:22 -4138.550979 8.0309 BFGS: 1956 15:52:22 -4138.568789 8.0401 BFGS: 1957 15:52:22 -4138.586615 8.0490 BFGS: 1958 15:52:23 -4138.604464 8.0576 BFGS: 1959 15:52:23 -4138.622344 8.0660 BFGS: 1960 15:52:23 -4138.640261 8.0742 BFGS: 1961 15:52:24 -4138.658221 8.0821 BFGS: 1962 15:52:24 -4138.676233 8.0898 BFGS: 1963 15:52:25 -4138.694328 8.1011 BFGS: 1964 15:52:25 -4138.713156 8.1065 BFGS: 1965 15:52:25 -4138.732032 8.1130 BFGS: 1966 15:52:26 -4138.750998 8.1187 BFGS: 1967 15:52:26 -4138.770052 8.1248 BFGS: 1968 15:52:26 -4138.789204 8.1304 BFGS: 1969 15:52:26 -4138.808461 8.1359 BFGS: 1970 15:52:27 -4138.827832 8.1412 BFGS: 1971 15:52:27 -4138.847322 8.1463 BFGS: 1972 15:52:27 -4138.866940 8.1511 BFGS: 1973 15:52:28 -4138.886693 8.1557 BFGS: 1974 15:52:28 -4138.906590 8.1600 BFGS: 1975 15:52:28 -4138.926637 8.1641 BFGS: 1976 15:52:29 -4138.946904 8.1679 BFGS: 1977 15:52:29 -4138.967475 8.1709 BFGS: 1978 15:52:30 -4138.988235 8.1768 BFGS: 1979 15:52:30 -4139.009530 8.1797 BFGS: 1980 15:52:30 -4139.031135 8.1878 BFGS: 1981 15:52:31 -4139.053074 8.1880 BFGS: 1982 15:52:31 -4139.075212 8.1907 BFGS: 1983 15:52:31 -4139.097569 8.1919 BFGS: 1984 15:52:32 -4139.120311 8.1937 BFGS: 1985 15:52:32 -4139.143662 8.1945 BFGS: 1986 15:52:32 -4139.167221 8.1956 BFGS: 1987 15:52:33 -4139.191028 8.1956 BFGS: 1988 15:52:33 -4139.215317 8.1947 BFGS: 1989 15:52:34 -4139.240220 8.1929 BFGS: 1990 15:52:34 -4139.265594 8.1965 BFGS: 1991 15:52:34 -4139.291588 8.1917 BFGS: 1992 15:52:35 -4139.317875 8.1909 BFGS: 1993 15:52:35 -4139.344460 8.1882 BFGS: 1994 15:52:35 -4139.371344 8.1866 BFGS: 1995 15:52:36 -4139.398538 8.1837 BFGS: 1996 15:52:36 -4139.426120 8.1869 BFGS: 1997 15:52:37 -4139.454202 8.1787 BFGS: 1998 15:52:37 -4139.482733 8.1756 BFGS: 1999 15:52:37 -4139.511612 8.1700 BFGS: 2000 15:52:38 -4139.540828 8.1662 BFGS: 2001 15:52:38 -4139.570405 8.1604 BFGS: 2002 15:52:39 -4139.600338 8.1558 BFGS: 2003 15:52:39 -4139.630642 8.1496 BFGS: 2004 15:52:39 -4139.661318 8.1443 BFGS: 2005 15:52:40 -4139.692376 8.1376 BFGS: 2006 15:52:40 -4139.723819 8.1315 BFGS: 2007 15:52:40 -4139.755658 8.1242 BFGS: 2008 15:52:41 -4139.787894 8.1174 BFGS: 2009 15:52:41 -4139.821243 8.1083 BFGS: 2010 15:52:41 -4139.855177 8.1010 BFGS: 2011 15:52:42 -4139.890036 8.0922 BFGS: 2012 15:52:42 -4139.925435 8.0865 BFGS: 2013 15:52:43 -4139.961610 8.0746 BFGS: 2014 15:52:43 -4139.998215 8.0658 BFGS: 2015 15:52:43 -4140.035260 8.0545 BFGS: 2016 15:52:44 -4140.072854 8.0499 BFGS: 2017 15:52:44 -4140.110972 8.0340 BFGS: 2018 15:52:44 -4140.149557 8.0261 BFGS: 2019 15:52:45 -4140.188616 8.0104 BFGS: 2020 15:52:45 -4140.228124 8.0049 BFGS: 2021 15:52:45 -4140.268139 7.9798 BFGS: 2022 15:52:46 -4140.307081 7.9064 BFGS: 2023 15:52:46 -4140.348356 7.8955 BFGS: 2024 15:52:46 -4140.390350 7.8827 BFGS: 2025 15:52:47 -4140.433532 7.8718 BFGS: 2026 15:52:47 -4140.477123 7.8583 BFGS: 2027 15:52:47 -4140.521342 7.8448 BFGS: 2028 15:52:48 -4140.566049 7.8305 BFGS: 2029 15:52:48 -4140.611901 7.8168 BFGS: 2030 15:52:49 -4140.658320 7.8021 BFGS: 2031 15:52:49 -4140.705193 7.7866 BFGS: 2032 15:52:49 -4140.752670 7.7764 BFGS: 2033 15:52:50 -4140.801204 7.7599 BFGS: 2034 15:52:50 -4140.850803 7.7440 BFGS: 2035 15:52:50 -4140.900969 7.7272 BFGS: 2036 15:52:51 -4140.952115 7.7055 BFGS: 2037 15:52:51 -4141.003920 7.6918 BFGS: 2038 15:52:52 -4141.056344 7.6768 BFGS: 2039 15:52:52 -4141.109357 7.6607 BFGS: 2040 15:52:52 -4141.163116 7.6442 BFGS: 2041 15:52:53 -4141.217543 7.6285 BFGS: 2042 15:52:53 -4141.272424 7.6118 BFGS: 2043 15:52:53 -4141.327801 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-5775.597327 20.9768 BFGS: 4279 16:09:51 -5776.816823 20.0201 BFGS: 4280 16:09:51 -5778.054155 18.9099 BFGS: 4281 16:09:52 -5779.262484 17.6487 BFGS: 4282 16:09:52 -5780.489583 16.3952 BFGS: 4283 16:09:53 -5781.587146 15.2749 BFGS: 4284 16:09:53 -5782.744583 14.6787 BFGS: 4285 16:09:54 -5783.428026 14.9406 BFGS: 4286 16:09:54 -5783.915893 16.9517 BFGS: 4287 16:09:55 -5784.311392 15.8620 BFGS: 4288 16:09:55 -5784.591513 15.6995 BFGS: 4289 16:09:56 -5784.751514 15.7329 BFGS: 4290 16:09:56 -5784.893708 16.3327 BFGS: 4291 16:09:57 -5785.011737 17.0874 BFGS: 4292 16:09:58 -5785.067883 17.4415 BFGS: 4293 16:09:58 -5785.129195 17.7376 BFGS: 4294 16:09:59 -5785.177041 17.6188 BFGS: 4295 16:09:59 -5785.247471 17.2599 BFGS: 4296 16:10:00 -5785.329587 16.6167 BFGS: 4297 16:10:01 -5785.423682 15.7986 BFGS: 4298 16:10:01 -5785.488953 15.5838 BFGS: 4299 16:10:02 -5785.546215 15.6009 BFGS: 4300 16:10:02 -5785.619977 15.5236 BFGS: 4301 16:10:03 -5785.752210 15.4803 BFGS: 4302 16:10:04 -5785.979689 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-5802.143694 14.2564 BFGS: 4352 16:10:28 -5802.495811 14.2461 BFGS: 4353 16:10:28 -5802.849228 14.2401 BFGS: 4354 16:10:29 -5803.201231 14.2309 BFGS: 4355 16:10:29 -5803.554222 14.2260 BFGS: 4356 16:10:29 -5803.905947 14.2183 BFGS: 4357 16:10:30 -5804.258351 14.2145 BFGS: 4358 16:10:30 -5804.609601 14.2083 BFGS: 4359 16:10:31 -5804.961267 14.2058 BFGS: 4360 16:10:31 -5805.311830 14.2012 BFGS: 4361 16:10:31 -5805.662602 14.2001 BFGS: 4362 16:10:32 -5806.012263 14.1970 BFGS: 4363 16:10:32 -5806.361967 14.1976 BFGS: 4364 16:10:33 -5806.710504 14.1962 BFGS: 4365 16:10:33 -5807.058957 14.1986 BFGS: 4366 16:10:34 -5807.406143 14.1988 BFGS: 4367 16:10:34 -5807.753147 14.2032 BFGS: 4368 16:10:34 -5808.098742 14.2052 BFGS: 4369 16:10:35 -5808.444089 14.2119 BFGS: 4370 16:10:35 -5808.787842 14.2155 BFGS: 4371 16:10:36 -5809.131317 14.2248 BFGS: 4372 16:10:36 -5809.472961 14.2299 BFGS: 4373 16:10:36 -5809.814394 14.2432 BFGS: 4374 16:10:37 -5810.153706 14.2515 BFGS: 4375 16:10:37 -5810.491258 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BFGS: 5108 16:15:41 -5916.660058 5.6100 BFGS: 5109 16:15:42 -5916.706024 5.5993 BFGS: 5110 16:15:42 -5916.752314 5.5883 BFGS: 5111 16:15:43 -5916.798940 5.5773 BFGS: 5112 16:15:43 -5916.846130 5.5662 BFGS: 5113 16:15:43 -5916.893785 5.5550 BFGS: 5114 16:15:44 -5916.941951 5.5438 BFGS: 5115 16:15:44 -5916.990577 5.5324 BFGS: 5116 16:15:45 -5917.039669 5.5210 BFGS: 5117 16:15:45 -5917.089254 5.5097 BFGS: 5118 16:15:45 -5917.144690 5.4967 BFGS: 5119 16:15:46 -5917.589757 5.4414 BFGS: 5120 16:15:46 -5917.667447 5.4350 BFGS: 5121 16:15:47 -5917.738048 5.4276 BFGS: 5122 16:15:47 -5917.804812 5.4194 BFGS: 5123 16:15:48 -5917.870052 5.4109 BFGS: 5124 16:15:48 -5917.937020 5.4027 BFGS: 5125 16:15:48 -5918.019352 5.3973 BFGS: 5126 16:15:49 -5918.158074 5.4039 BFGS: 5127 16:15:49 -5918.394144 5.4455 BFGS: 5128 16:15:50 -5918.565874 5.4976 BFGS: 5129 16:15:50 -5918.798980 5.5445 BFGS: 5130 16:15:51 -5919.048999 5.5897 BFGS: 5131 16:15:51 -5919.259573 5.6370 BFGS: 5132 16:15:51 -5919.526974 5.6773 BFGS: 5133 16:15:52 -5919.711894 5.7250 BFGS: 5134 16:15:52 -5919.988426 5.7566 BFGS: 5135 16:15:53 -5920.173767 5.8048 BFGS: 5136 16:15:53 -5920.391648 5.9221 BFGS: 5137 16:15:53 -5920.580522 6.0445 BFGS: 5138 16:15:54 -5920.772472 6.1547 BFGS: 5139 16:15:54 -5920.954601 6.2653 BFGS: 5140 16:15:55 -5921.133610 6.3627 BFGS: 5141 16:15:55 -5921.304118 6.4535 BFGS: 5142 16:15:56 -5921.468841 6.5337 BFGS: 5143 16:15:56 -5921.625842 6.6005 BFGS: 5144 16:15:56 -5921.776040 6.6563 BFGS: 5145 16:15:57 -5921.917388 6.7135 BFGS: 5146 16:15:57 -5922.051516 6.7528 BFGS: 5147 16:15:58 -5922.175667 6.7817 BFGS: 5148 16:15:58 -5922.292747 6.7923 BFGS: 5149 16:15:58 -5922.398892 6.7907 BFGS: 5150 16:15:59 -5922.496023 6.7673 BFGS: 5151 16:15:59 -5922.581236 6.7259 BFGS: 5152 16:16:00 -5922.655768 6.6518 BFGS: 5153 16:16:00 -5922.716499 6.5457 BFGS: 5154 16:16:01 -5922.764517 6.3640 BFGS: 5155 16:16:01 -5922.793304 6.2179 BFGS: 5156 16:16:01 -5922.809384 6.2017 BFGS: 5157 16:16:02 -5922.819418 6.1513 BFGS: 5158 16:16:02 -5922.844670 6.1241 BFGS: 5159 16:16:03 -5922.848915 6.1372 BFGS: 5160 16:16:03 -5922.850604 6.1281 BFGS: 5161 16:16:03 -5922.852380 6.1232 BFGS: 5162 16:16:04 -5922.854902 6.1191 BFGS: 5163 16:16:04 -5922.877507 6.0962 BFGS: 5164 16:16:05 -5922.905784 6.0739 BFGS: 5165 16:16:05 -5922.937519 6.0570 BFGS: 5166 16:16:06 -5922.972070 6.0424 BFGS: 5167 16:16:06 -5923.008634 6.0293 BFGS: 5168 16:16:06 -5923.046672 6.0170 BFGS: 5169 16:16:07 -5923.085825 6.0054 BFGS: 5170 16:16:07 -5923.125848 5.9942 BFGS: 5171 16:16:08 -5923.166564 5.9833 BFGS: 5172 16:16:08 -5923.207847 5.9726 BFGS: 5173 16:16:08 -5923.249603 5.9622 BFGS: 5174 16:16:09 -5923.291756 5.9519 BFGS: 5175 16:16:09 -5923.334248 5.9417 BFGS: 5176 16:16:10 -5923.377031 5.9316 BFGS: 5177 16:16:10 -5923.420065 5.9215 BFGS: 5178 16:16:11 -5923.463319 5.9115 BFGS: 5179 16:16:11 -5923.506764 5.9016 BFGS: 5180 16:16:11 -5923.550377 5.8917 BFGS: 5181 16:16:12 -5923.594138 5.8818 BFGS: 5182 16:16:12 -5923.638027 5.8719 BFGS: 5183 16:16:13 -5923.682032 5.8623 BFGS: 5184 16:16:13 -5923.726148 5.8530 BFGS: 5185 16:16:14 -5923.770360 5.8432 BFGS: 5186 16:16:14 -5923.814657 5.8312 BFGS: 5187 16:16:14 -5923.858948 5.8209 BFGS: 5188 16:16:15 -5923.903289 5.8109 BFGS: 5189 16:16:15 -5923.947684 5.8008 BFGS: 5190 16:16:16 -5923.992127 5.7907 BFGS: 5191 16:16:16 -5924.036611 5.7806 BFGS: 5192 16:16:17 -5924.081129 5.7704 BFGS: 5193 16:16:17 -5924.125675 5.7602 BFGS: 5194 16:16:17 -5924.170246 5.7499 BFGS: 5195 16:16:18 -5924.214854 5.7403 BFGS: 5196 16:16:18 -5924.259445 5.7298 BFGS: 5197 16:16:19 -5924.304048 5.7193 BFGS: 5198 16:16:19 -5924.348662 5.7087 BFGS: 5199 16:16:19 -5924.393285 5.6981 BFGS: 5200 16:16:20 -5924.437913 5.6875 BFGS: 5201 16:16:20 -5924.482547 5.6768 BFGS: 5202 16:16:21 -5924.527183 5.6660 BFGS: 5203 16:16:21 -5924.571822 5.6552 BFGS: 5204 16:16:22 -5924.616460 5.6443 BFGS: 5205 16:16:22 -5924.661099 5.6333 BFGS: 5206 16:16:23 -5924.705736 5.6223 BFGS: 5207 16:16:23 -5924.750374 5.6111 BFGS: 5208 16:16:23 -5924.795013 5.6000 BFGS: 5209 16:16:24 -5924.839658 5.5887 BFGS: 5210 16:16:24 -5924.884327 5.5773 BFGS: 5211 16:16:25 -5924.929002 5.5654 BFGS: 5212 16:16:25 -5924.973629 5.5537 BFGS: 5213 16:16:25 -5925.018299 5.5417 BFGS: 5214 16:16:26 -5925.062946 5.5302 BFGS: 5215 16:16:26 -5925.107599 5.5186 BFGS: 5216 16:16:27 -5925.152271 5.5070 BFGS: 5217 16:16:27 -5925.196976 5.4952 BFGS: 5218 16:16:28 -5925.241723 5.4833 BFGS: 5219 16:16:28 -5925.286519 5.4712 BFGS: 5220 16:16:28 -5925.331369 5.4590 BFGS: 5221 16:16:29 -5925.376279 5.4467 BFGS: 5222 16:16:29 -5925.421252 5.4342 BFGS: 5223 16:16:30 -5925.466292 5.4216 BFGS: 5224 16:16:30 -5925.511403 5.4089 BFGS: 5225 16:16:31 -5925.556587 5.3960 BFGS: 5226 16:16:31 -5925.601849 5.3831 BFGS: 5227 16:16:31 -5925.647192 5.3700 BFGS: 5228 16:16:32 -5925.692621 5.3568 BFGS: 5229 16:16:32 -5925.738140 5.3434 BFGS: 5230 16:16:33 -5925.783754 5.3299 BFGS: 5231 16:16:33 -5925.829467 5.3163 BFGS: 5232 16:16:33 -5925.875284 5.3026 BFGS: 5233 16:16:34 -5925.921210 5.2887 BFGS: 5234 16:16:34 -5925.967251 5.2747 BFGS: 5235 16:16:35 -5926.013412 5.2606 BFGS: 5236 16:16:35 -5926.059698 5.2463 BFGS: 5237 16:16:36 -5926.106116 5.2319 BFGS: 5238 16:16:36 -5926.152672 5.2173 BFGS: 5239 16:16:36 -5926.199371 5.2026 BFGS: 5240 16:16:37 -5926.246220 5.1877 BFGS: 5241 16:16:37 -5926.293226 5.1726 BFGS: 5242 16:16:38 -5926.340477 5.1584 BFGS: 5243 16:16:38 -5926.387929 5.1408 BFGS: 5244 16:16:39 -5926.435555 5.1250 BFGS: 5245 16:16:39 -5926.483356 5.1086 BFGS: 5246 16:16:39 -5926.531348 5.0925 BFGS: 5247 16:16:40 -5926.579535 5.0761 BFGS: 5248 16:16:40 -5926.627931 5.0596 BFGS: 5249 16:16:41 -5926.676558 5.0450 BFGS: 5250 16:16:41 -5926.725421 5.0273 BFGS: 5251 16:16:42 -5926.774524 5.0103 BFGS: 5252 16:16:42 -5926.823866 4.9930 BFGS: 5253 16:16:42 -5926.873463 4.9756 BFGS: 5254 16:16:43 -5926.923348 4.9584 BFGS: 5255 16:16:43 -5926.973500 4.9385 BFGS: 5256 16:16:44 -5927.023943 4.9204 BFGS: 5257 16:16:44 -5927.074676 4.9015 BFGS: 5258 16:16:44 -5927.125720 4.8830 BFGS: 5259 16:16:45 -5927.177078 4.8637 BFGS: 5260 16:16:45 -5927.228769 4.8447 BFGS: 5261 16:16:46 -5927.280800 4.8251 BFGS: 5262 16:16:46 -5927.333189 4.8055 BFGS: 5263 16:16:47 -5927.385945 4.7854 BFGS: 5264 16:16:47 -5927.439084 4.7653 BFGS: 5265 16:16:47 -5927.492618 4.7447 BFGS: 5266 16:16:48 -5927.546563 4.7240 BFGS: 5267 16:16:48 -5927.600931 4.7027 BFGS: 5268 16:16:49 -5927.655741 4.6814 BFGS: 5269 16:16:49 -5927.711004 4.6596 BFGS: 5270 16:16:50 -5927.766740 4.6376 BFGS: 5271 16:16:50 -5927.822963 4.6150 BFGS: 5272 16:16:50 -5927.879693 4.5924 BFGS: 5273 16:16:51 -5927.936987 4.5712 BFGS: 5274 16:16:51 -5927.994857 4.5468 BFGS: 5275 16:16:52 -5928.053284 4.5229 BFGS: 5276 16:16:52 -5928.112311 4.4978 BFGS: 5277 16:16:52 -5928.171964 4.4725 BFGS: 5278 16:16:53 -5928.232227 4.4472 BFGS: 5279 16:16:53 -5928.293155 4.4214 BFGS: 5280 16:16:54 -5928.354761 4.3937 BFGS: 5281 16:16:54 -5928.417058 4.3672 BFGS: 5282 16:16:55 -5928.480049 4.3395 BFGS: 5283 16:16:55 -5928.543776 4.3124 BFGS: 5284 16:16:55 -5928.608236 4.2836 BFGS: 5285 16:16:56 -5928.673478 4.2560 BFGS: 5286 16:16:56 -5928.739484 4.2258 BFGS: 5287 16:16:57 -5928.806322 4.1986 BFGS: 5288 16:16:57 -5928.873830 4.1636 BFGS: 5289 16:16:57 -5928.940356 4.1214 BFGS: 5290 16:16:58 -5929.010476 4.0942 BFGS: 5291 16:16:58 -5929.080054 4.0612 BFGS: 5292 16:16:59 -5929.152516 4.0360 BFGS: 5293 16:16:59 -5929.224805 4.0097 BFGS: 5294 16:17:00 -5929.297741 3.9794 BFGS: 5295 16:17:00 -5929.371540 3.9473 BFGS: 5296 16:17:00 -5929.446590 3.9147 BFGS: 5297 16:17:01 -5929.522583 3.8821 BFGS: 5298 16:17:01 -5929.599390 3.8493 BFGS: 5299 16:17:02 -5929.676967 3.8163 BFGS: 5300 16:17:02 -5929.755306 3.7838 BFGS: 5301 16:17:03 -5929.834361 3.7514 BFGS: 5302 16:17:03 -5929.914110 3.7194 BFGS: 5303 16:17:04 -5929.994505 3.6878 BFGS: 5304 16:17:04 -5930.075521 3.6572 BFGS: 5305 16:17:04 -5930.157131 3.6263 BFGS: 5306 16:17:05 -5930.239271 3.5964 BFGS: 5307 16:17:05 -5930.321892 3.5669 BFGS: 5308 16:17:06 -5930.404972 3.5383 BFGS: 5309 16:17:06 -5930.488462 3.5104 BFGS: 5310 16:17:06 -5930.572344 3.4834 BFGS: 5311 16:17:07 -5930.656577 3.4571 BFGS: 5312 16:17:07 -5930.741202 3.4322 BFGS: 5313 16:17:08 -5930.826128 3.4073 BFGS: 5314 16:17:08 -5930.911357 3.3837 BFGS: 5315 16:17:09 -5930.996900 3.3600 BFGS: 5316 16:17:09 -5931.082726 3.3382 BFGS: 5317 16:17:09 -5931.168768 3.3165 BFGS: 5318 16:17:10 -5931.255122 3.2953 BFGS: 5319 16:17:10 -5931.341677 3.2750 BFGS: 5320 16:17:11 -5931.428486 3.2759 BFGS: 5321 16:17:11 -5931.515464 3.2977 BFGS: 5322 16:17:12 -5931.602715 3.3171 BFGS: 5323 16:17:12 -5931.690068 3.3369 BFGS: 5324 16:17:13 -5931.777837 3.3512 BFGS: 5325 16:17:13 -5931.865618 3.3643 BFGS: 5326 16:17:13 -5931.953396 3.3878 BFGS: 5327 16:17:14 -5932.041264 3.4059 BFGS: 5328 16:17:14 -5932.129071 3.4245 BFGS: 5329 16:17:15 -5932.216655 3.4432 BFGS: 5330 16:17:15 -5932.303643 3.4633 BFGS: 5331 16:17:16 -5932.388917 3.4872 BFGS: 5332 16:17:16 -5932.467216 3.5324 BFGS: 5333 16:17:16 -5932.567912 3.5387 BFGS: 5334 16:17:17 -5932.654732 3.5234 BFGS: 5335 16:17:17 -5932.742437 3.5263 BFGS: 5336 16:17:18 -5932.831013 3.5309 BFGS: 5337 16:17:18 -5932.920028 3.5365 BFGS: 5338 16:17:19 -5933.009360 3.5425 BFGS: 5339 16:17:19 -5933.098901 3.5487 BFGS: 5340 16:17:19 -5933.188596 3.5549 BFGS: 5341 16:17:20 -5933.278400 3.5611 BFGS: 5342 16:17:20 -5933.368285 3.5673 BFGS: 5343 16:17:21 -5933.458227 3.5734 BFGS: 5344 16:17:21 -5933.548212 3.5793 BFGS: 5345 16:17:21 -5933.638230 3.5852 BFGS: 5346 16:17:22 -5933.728272 3.5909 BFGS: 5347 16:17:22 -5933.818343 3.5961 BFGS: 5348 16:17:23 -5933.908396 3.6024 BFGS: 5349 16:17:23 -5933.998463 3.6070 BFGS: 5350 16:17:24 -5934.088489 3.6107 BFGS: 5351 16:17:24 -5934.178118 3.6108 BFGS: 5352 16:17:24 -5934.268783 3.6287 BFGS: 5353 16:17:25 -5934.358912 3.6365 BFGS: 5354 16:17:25 -5934.449056 3.6431 BFGS: 5355 16:17:26 -5934.539217 3.6489 BFGS: 5356 16:17:26 -5934.629384 3.6542 BFGS: 5357 16:17:27 -5934.719554 3.6591 BFGS: 5358 16:17:27 -5934.809720 3.6636 BFGS: 5359 16:17:27 -5934.899879 3.6678 BFGS: 5360 16:17:28 -5934.990028 3.6716 BFGS: 5361 16:17:28 -5935.080165 3.6752 BFGS: 5362 16:17:29 -5935.170287 3.6785 BFGS: 5363 16:17:29 -5935.260392 3.6816 BFGS: 5364 16:17:29 -5935.350478 3.6845 BFGS: 5365 16:17:30 -5935.440543 3.6871 BFGS: 5366 16:17:30 -5935.530584 3.6896 BFGS: 5367 16:17:31 -5935.620600 3.6918 BFGS: 5368 16:17:31 -5935.710588 3.6938 BFGS: 5369 16:17:32 -5935.800547 3.6956 BFGS: 5370 16:17:32 -5935.890489 3.6973 BFGS: 5371 16:17:32 -5935.980393 3.7001 BFGS: 5372 16:17:33 -5936.070252 3.7010 BFGS: 5373 16:17:33 -5936.160079 3.7021 BFGS: 5374 16:17:34 -5936.249869 3.7030 BFGS: 5375 16:17:34 -5936.339619 3.7037 BFGS: 5376 16:17:34 -5936.429326 3.7042 BFGS: 5377 16:17:35 -5936.518988 3.7046 BFGS: 5378 16:17:35 -5936.608602 3.7048 BFGS: 5379 16:17:36 -5936.698167 3.7048 BFGS: 5380 16:17:36 -5936.787678 3.7047 BFGS: 5381 16:17:37 -5936.877135 3.7044 BFGS: 5382 16:17:37 -5936.966534 3.7039 BFGS: 5383 16:17:37 -5937.055873 3.7032 BFGS: 5384 16:17:38 -5937.145151 3.7024 BFGS: 5385 16:17:38 -5937.234365 3.7015 BFGS: 5386 16:17:39 -5937.323512 3.7004 BFGS: 5387 16:17:39 -5937.412591 3.6991 BFGS: 5388 16:17:40 -5937.501598 3.6977 BFGS: 5389 16:17:40 -5937.590533 3.6961 BFGS: 5390 16:17:40 -5937.679393 3.6944 BFGS: 5391 16:17:41 -5937.768175 3.6925 BFGS: 5392 16:17:41 -5937.856877 3.6905 BFGS: 5393 16:17:42 -5937.945498 3.6884 BFGS: 5394 16:17:42 -5938.034036 3.6861 BFGS: 5395 16:17:42 -5938.122487 3.6836 BFGS: 5396 16:17:43 -5938.210851 3.6811 BFGS: 5397 16:17:43 -5938.299125 3.6784 BFGS: 5398 16:17:44 -5938.387307 3.6755 BFGS: 5399 16:17:44 -5938.475395 3.6726 BFGS: 5400 16:17:45 -5938.563387 3.6695 BFGS: 5401 16:17:45 -5938.651281 3.6662 BFGS: 5402 16:17:45 -5938.739076 3.6629 BFGS: 5403 16:17:46 -5938.826769 3.6594 BFGS: 5404 16:17:46 -5938.914358 3.6558 BFGS: 5405 16:17:47 -5939.001842 3.6521 BFGS: 5406 16:17:47 -5939.089218 3.6483 BFGS: 5407 16:17:47 -5939.176486 3.6443 BFGS: 5408 16:17:48 -5939.263642 3.6403 BFGS: 5409 16:17:48 -5939.350686 3.6361 BFGS: 5410 16:17:49 -5939.437616 3.6318 BFGS: 5411 16:17:49 -5939.524429 3.6274 BFGS: 5412 16:17:50 -5939.611124 3.6229 BFGS: 5413 16:17:50 -5939.697700 3.6182 BFGS: 5414 16:17:50 -5939.784155 3.6135 BFGS: 5415 16:17:51 -5939.870487 3.6087 BFGS: 5416 16:17:51 -5939.956694 3.6037 BFGS: 5417 16:17:52 -5940.042775 3.5987 BFGS: 5418 16:17:52 -5940.128728 3.5935 BFGS: 5419 16:17:53 -5940.214553 3.5883 BFGS: 5420 16:17:53 -5940.300253 3.5829 BFGS: 5421 16:17:54 -5940.385805 3.5759 BFGS: 5422 16:17:54 -5940.471223 3.5730 BFGS: 5423 16:17:54 -5940.556511 3.5668 BFGS: 5424 16:17:55 -5940.641660 3.5620 BFGS: 5425 16:17:55 -5940.726676 3.5559 BFGS: 5426 16:17:56 -5940.811552 3.5504 BFGS: 5427 16:17:56 -5940.896291 3.5442 BFGS: 5428 16:17:56 -5940.980888 3.5383 BFGS: 5429 16:17:57 -5941.065344 3.5321 BFGS: 5430 16:17:57 -5941.149656 3.5259 BFGS: 5431 16:17:58 -5941.233824 3.5196 BFGS: 5432 16:17:58 -5941.317845 3.5132 BFGS: 5433 16:17:59 -5941.401748 3.5066 BFGS: 5434 16:17:59 -5941.485519 3.5008 BFGS: 5435 16:18:00 -5941.569137 3.4963 BFGS: 5436 16:18:00 -5941.652574 3.4887 BFGS: 5437 16:18:00 -5941.735879 3.4824 BFGS: 5438 16:18:01 -5941.819008 3.4754 BFGS: 5439 16:18:01 -5941.901997 3.4685 BFGS: 5440 16:18:02 -5941.984818 3.4614 BFGS: 5441 16:18:02 -5942.067492 3.4542 BFGS: 5442 16:18:03 -5942.150000 3.4470 BFGS: 5443 16:18:03 -5942.232356 3.4397 BFGS: 5444 16:18:03 -5942.314548 3.4324 BFGS: 5445 16:18:04 -5942.396583 3.4249 BFGS: 5446 16:18:04 -5942.478453 3.4174 BFGS: 5447 16:18:05 -5942.560163 3.4098 BFGS: 5448 16:18:05 -5942.641708 3.4021 BFGS: 5449 16:18:06 -5942.723089 3.3944 BFGS: 5450 16:18:06 -5942.804304 3.3866 BFGS: 5451 16:18:06 -5942.885353 3.3787 BFGS: 5452 16:18:07 -5942.966287 3.3708 BFGS: 5453 16:18:07 -5943.047076 3.3667 BFGS: 5454 16:18:08 -5943.127698 3.3571 BFGS: 5455 16:18:08 -5943.208140 3.3493 BFGS: 5456 16:18:09 -5943.288410 3.3410 BFGS: 5457 16:18:09 -5943.368504 3.3327 BFGS: 5458 16:18:10 -5943.448424 3.3244 BFGS: 5459 16:18:10 -5943.528169 3.3159 BFGS: 5460 16:18:10 -5943.607738 3.3075 BFGS: 5461 16:18:11 -5943.687131 3.2989 BFGS: 5462 16:18:11 -5943.766347 3.2904 BFGS: 5463 16:18:12 -5943.845386 3.2817 BFGS: 5464 16:18:12 -5943.924246 3.2730 BFGS: 5465 16:18:12 -5944.002928 3.2642 BFGS: 5466 16:18:13 -5944.081430 3.2553 BFGS: 5467 16:18:13 -5944.159752 3.2464 BFGS: 5468 16:18:14 -5944.237893 3.2375 BFGS: 5469 16:18:14 -5944.315853 3.2284 BFGS: 5470 16:18:15 -5944.393629 3.2194 BFGS: 5471 16:18:15 -5944.471229 3.2102 BFGS: 5472 16:18:15 -5944.548678 3.2028 BFGS: 5473 16:18:16 -5944.625964 3.1923 BFGS: 5474 16:18:16 -5944.703033 3.1836 BFGS: 5475 16:18:17 -5944.779938 3.1734 BFGS: 5476 16:18:17 -5944.856626 3.1644 BFGS: 5477 16:18:18 -5944.933154 3.1543 BFGS: 5478 16:18:18 -5945.009459 3.1451 BFGS: 5479 16:18:18 -5945.085608 3.1350 BFGS: 5480 16:18:19 -5945.161531 3.1257 BFGS: 5481 16:18:19 -5945.237299 3.1155 BFGS: 5482 16:18:20 -5945.312837 3.1062 BFGS: 5483 16:18:20 -5945.388224 3.0958 BFGS: 5484 16:18:21 -5945.463375 3.0864 BFGS: 5485 16:18:21 -5945.538379 3.0759 BFGS: 5486 16:18:21 -5945.613142 3.0665 BFGS: 5487 16:18:22 -5945.687788 3.0558 BFGS: 5488 16:18:22 -5945.762197 3.0484 BFGS: 5489 16:18:23 -5945.836473 3.0360 BFGS: 5490 16:18:23 -5945.910487 3.0275 BFGS: 5491 16:18:24 -5945.984364 3.0160 BFGS: 5492 16:18:24 -5946.057985 3.0066 BFGS: 5493 16:18:24 -5946.131469 2.9956 BFGS: 5494 16:18:25 -5946.204702 2.9875 BFGS: 5495 16:18:25 -5946.277790 2.9772 BFGS: 5496 16:18:26 -5946.350624 2.9663 BFGS: 5497 16:18:26 -5946.423313 2.9560 BFGS: 5498 16:18:27 -5946.495755 2.9453 BFGS: 5499 16:18:27 -5946.568061 2.9340 BFGS: 5500 16:18:27 -5946.640113 2.9252 BFGS: 5501 16:18:28 -5946.712000 2.9136 BFGS: 5502 16:18:28 -5946.783656 2.9034 BFGS: 5503 16:18:29 -5946.855132 2.8922 BFGS: 5504 16:18:29 -5946.926387 2.8814 BFGS: 5505 16:18:29 -5946.997454 2.8703 BFGS: 5506 16:18:30 -5947.068305 2.8593 BFGS: 5507 16:18:30 -5947.138961 2.8481 BFGS: 5508 16:18:31 -5947.209403 2.8370 BFGS: 5509 16:18:31 -5947.279646 2.8258 BFGS: 5510 16:18:32 -5947.349676 2.8145 BFGS: 5511 16:18:32 -5947.419504 2.8031 BFGS: 5512 16:18:32 -5947.489118 2.7917 BFGS: 5513 16:18:33 -5947.558527 2.7803 BFGS: 5514 16:18:33 -5947.627723 2.7687 BFGS: 5515 16:18:34 -5947.696711 2.7572 BFGS: 5516 16:18:34 -5947.765485 2.7455 BFGS: 5517 16:18:34 -5947.834048 2.7339 BFGS: 5518 16:18:35 -5947.902396 2.7221 BFGS: 5519 16:18:35 -5947.970532 2.7103 BFGS: 5520 16:18:36 -5948.038452 2.6984 BFGS: 5521 16:18:36 -5948.106157 2.6865 BFGS: 5522 16:18:37 -5948.173644 2.6746 BFGS: 5523 16:18:37 -5948.240916 2.6625 BFGS: 5524 16:18:37 -5948.307968 2.6505 BFGS: 5525 16:18:38 -5948.374803 2.6383 BFGS: 5526 16:18:38 -5948.441416 2.6261 BFGS: 5527 16:18:39 -5948.507810 2.6139 BFGS: 5528 16:18:39 -5948.573982 2.6016 BFGS: 5529 16:18:39 -5948.639932 2.5892 BFGS: 5530 16:18:40 -5948.705659 2.5768 BFGS: 5531 16:18:40 -5948.771162 2.5643 BFGS: 5532 16:18:41 -5948.836440 2.5517 BFGS: 5533 16:18:41 -5948.901493 2.5392 BFGS: 5534 16:18:42 -5948.966319 2.5265 BFGS: 5535 16:18:42 -5949.030918 2.5138 BFGS: 5536 16:18:42 -5949.095288 2.5010 BFGS: 5537 16:18:43 -5949.159429 2.4882 BFGS: 5538 16:18:43 -5949.223340 2.4754 BFGS: 5539 16:18:44 -5949.287021 2.4624 BFGS: 5540 16:18:44 -5949.350469 2.4494 BFGS: 5541 16:18:45 -5949.413686 2.4364 BFGS: 5542 16:18:45 -5949.476668 2.4233 BFGS: 5543 16:18:45 -5949.539416 2.4102 BFGS: 5544 16:18:46 -5949.601928 2.3970 BFGS: 5545 16:18:46 -5949.664204 2.3837 BFGS: 5546 16:18:47 -5949.726242 2.3704 BFGS: 5547 16:18:47 -5949.788042 2.3570 BFGS: 5548 16:18:47 -5949.849602 2.3436 BFGS: 5549 16:18:48 -5949.910923 2.3301 BFGS: 5550 16:18:48 -5949.972002 2.3166 BFGS: 5551 16:18:49 -5950.032840 2.3030 BFGS: 5552 16:18:49 -5950.093433 2.2893 BFGS: 5553 16:18:50 -5950.153785 2.2756 BFGS: 5554 16:18:50 -5950.213889 2.2619 BFGS: 5555 16:18:50 -5950.273750 2.2480 BFGS: 5556 16:18:51 -5950.333361 2.2342 BFGS: 5557 16:18:51 -5950.392727 2.2203 BFGS: 5558 16:18:52 -5950.451842 2.2063 BFGS: 5559 16:18:52 -5950.510710 2.1923 BFGS: 5560 16:18:53 -5950.569324 2.1782 BFGS: 5561 16:18:53 -5950.627691 2.1640 BFGS: 5562 16:18:53 -5950.685799 2.1499 BFGS: 5563 16:18:54 -5950.743661 2.1356 BFGS: 5564 16:18:54 -5950.801259 2.1214 BFGS: 5565 16:18:55 -5950.858613 2.1070 BFGS: 5566 16:18:55 -5950.915697 2.0927 BFGS: 5567 16:18:55 -5950.972554 2.0781 BFGS: 5568 16:18:56 -5951.029161 2.0671 BFGS: 5569 16:18:56 -5951.085454 2.0504 BFGS: 5570 16:18:57 -5951.141547 2.0366 BFGS: 5571 16:18:57 -5951.197325 2.0218 BFGS: 5572 16:18:58 -5951.252922 2.0069 BFGS: 5573 16:18:58 -5951.308182 1.9941 BFGS: 5574 16:18:58 -5951.363216 1.9778 BFGS: 5575 16:18:59 -5951.417925 1.9645 BFGS: 5576 16:18:59 -5951.472447 1.9483 BFGS: 5577 16:19:00 -5951.526633 1.9345 BFGS: 5578 16:19:00 -5951.580669 1.9172 BFGS: 5579 16:19:01 -5951.634336 1.9141 BFGS: 5580 16:19:01 -5951.687808 1.9120 BFGS: 5581 16:19:01 -5951.740949 1.9097 BFGS: 5582 16:19:02 -5951.793869 1.9076 BFGS: 5583 16:19:02 -5951.846474 1.9054 BFGS: 5584 16:19:03 -5951.898841 1.9033 BFGS: 5585 16:19:03 -5951.950902 1.9012 BFGS: 5586 16:19:03 -5952.002715 1.8991 BFGS: 5587 16:19:04 -5952.054226 1.8970 BFGS: 5588 16:19:04 -5952.105506 1.8949 BFGS: 5589 16:19:05 -5952.156505 1.8932 BFGS: 5590 16:19:05 -5952.207229 1.8914 BFGS: 5591 16:19:06 -5952.257654 1.8895 BFGS: 5592 16:19:06 -5952.307815 1.8876 BFGS: 5593 16:19:06 -5952.357672 1.8856 BFGS: 5594 16:19:07 -5952.407264 1.8838 BFGS: 5595 16:19:07 -5952.456553 1.8818 BFGS: 5596 16:19:08 -5952.505572 1.8800 BFGS: 5597 16:19:08 -5952.554307 1.8803 BFGS: 5598 16:19:09 -5952.602783 1.8786 BFGS: 5599 16:19:09 -5952.650940 1.8768 BFGS: 5600 16:19:09 -5952.698839 1.8751 BFGS: 5601 16:19:10 -5952.746419 1.8733 BFGS: 5602 16:19:10 -5952.793728 1.8716 BFGS: 5603 16:19:11 -5952.840724 1.8699 BFGS: 5604 16:19:11 -5952.887442 1.8682 BFGS: 5605 16:19:12 -5952.933851 1.8665 BFGS: 5606 16:19:12 -5952.979975 1.8649 BFGS: 5607 16:19:12 -5953.025791 1.8632 BFGS: 5608 16:19:13 -5953.071319 1.8616 BFGS: 5609 16:19:13 -5953.116557 1.8606 BFGS: 5610 16:19:14 -5953.161504 1.8593 BFGS: 5611 16:19:14 -5953.206135 1.8578 BFGS: 5612 16:19:15 -5953.250473 1.8563 BFGS: 5613 16:19:15 -5953.294500 1.8548 BFGS: 5614 16:19:15 -5953.338228 1.8534 BFGS: 5615 16:19:16 -5953.381647 1.8519 BFGS: 5616 16:19:16 -5953.424763 1.8504 BFGS: 5617 16:19:17 -5953.467571 1.8490 BFGS: 5618 16:19:17 -5953.510073 1.8476 BFGS: 5619 16:19:17 -5953.552265 1.8462 BFGS: 5620 16:19:18 -5953.594149 1.8448 BFGS: 5621 16:19:18 -5953.635722 1.8434 BFGS: 5622 16:19:19 -5953.676985 1.8421 BFGS: 5623 16:19:19 -5953.717936 1.8407 BFGS: 5624 16:19:20 -5953.758575 1.8394 BFGS: 5625 16:19:20 -5953.798900 1.8381 BFGS: 5626 16:19:21 -5953.838911 1.8368 BFGS: 5627 16:19:21 -5953.878607 1.8355 BFGS: 5628 16:19:21 -5953.917987 1.8343 BFGS: 5629 16:19:22 -5953.957057 1.8327 BFGS: 5630 16:19:22 -5953.995833 1.8323 BFGS: 5631 16:19:23 -5954.034275 1.8314 BFGS: 5632 16:19:23 -5954.072407 1.8304 BFGS: 5633 16:19:23 -5954.110207 1.8293 BFGS: 5634 16:19:24 -5954.147697 1.8282 BFGS: 5635 16:19:24 -5954.184851 1.8271 BFGS: 5636 16:19:25 -5954.221698 1.8260 BFGS: 5637 16:19:25 -5954.258204 1.8250 BFGS: 5638 16:19:26 -5954.294403 1.8239 BFGS: 5639 16:19:26 -5954.330258 1.8229 BFGS: 5640 16:19:26 -5954.365808 1.8219 BFGS: 5641 16:19:27 -5954.401009 1.8208 BFGS: 5642 16:19:27 -5954.435905 1.8198 BFGS: 5643 16:19:28 -5954.470449 1.8188 BFGS: 5644 16:19:28 -5954.504689 1.8179 BFGS: 5645 16:19:28 -5954.538574 1.8169 BFGS: 5646 16:19:29 -5954.572155 1.8160 BFGS: 5647 16:19:29 -5954.605377 1.8150 BFGS: 5648 16:19:30 -5954.638295 1.8142 BFGS: 5649 16:19:30 -5954.670853 1.8132 BFGS: 5650 16:19:31 -5954.703104 1.8124 BFGS: 5651 16:19:31 -5954.734995 1.8115 BFGS: 5652 16:19:31 -5954.766577 1.8107 BFGS: 5653 16:19:32 -5954.797799 1.8099 BFGS: 5654 16:19:32 -5954.828708 1.8091 BFGS: 5655 16:19:33 -5954.859269 1.8076 BFGS: 5656 16:19:33 -5954.889555 1.8074 BFGS: 5657 16:19:34 -5954.919519 1.8067 BFGS: 5658 16:19:34 -5954.949129 1.8059 BFGS: 5659 16:19:34 -5954.978402 1.8051 BFGS: 5660 16:19:35 -5955.007333 1.8043 BFGS: 5661 16:19:35 -5955.035920 1.8036 BFGS: 5662 16:19:36 -5955.064169 1.8029 BFGS: 5663 16:19:36 -5955.092080 1.8047 BFGS: 5664 16:19:36 -5955.119675 1.8040 BFGS: 5665 16:19:37 -5955.146903 1.8034 BFGS: 5666 16:19:37 -5955.173801 1.8028 BFGS: 5667 16:19:38 -5955.200340 1.8023 BFGS: 5668 16:19:38 -5955.226546 1.8017 BFGS: 5669 16:19:39 -5955.252394 1.8011 BFGS: 5670 16:19:39 -5955.277907 1.8006 BFGS: 5671 16:19:39 -5955.303061 1.8001 BFGS: 5672 16:19:40 -5955.327878 1.7996 BFGS: 5673 16:19:40 -5955.352336 1.7991 BFGS: 5674 16:19:41 -5955.376456 1.7986 BFGS: 5675 16:19:41 -5955.400215 1.7981 BFGS: 5676 16:19:42 -5955.423635 1.7977 BFGS: 5677 16:19:42 -5955.446694 1.7972 BFGS: 5678 16:19:42 -5955.469411 1.7968 BFGS: 5679 16:19:43 -5955.491768 1.7964 BFGS: 5680 16:19:43 -5955.513786 1.7960 BFGS: 5681 16:19:44 -5955.535482 1.7959 BFGS: 5682 16:19:44 -5955.556815 1.7958 BFGS: 5683 16:19:44 -5955.577803 1.7955 BFGS: 5684 16:19:45 -5955.598426 1.7952 BFGS: 5685 16:19:45 -5955.618705 1.7950 BFGS: 5686 16:19:46 -5955.638616 1.7947 BFGS: 5687 16:19:46 -5955.658185 1.7944 BFGS: 5688 16:19:47 -5955.677384 1.7941 BFGS: 5689 16:19:47 -5955.696240 1.7939 BFGS: 5690 16:19:47 -5955.714727 1.7936 BFGS: 5691 16:19:48 -5955.732868 1.7935 BFGS: 5692 16:19:48 -5955.750641 1.7932 BFGS: 5693 16:19:49 -5955.768066 1.7931 BFGS: 5694 16:19:49 -5955.785123 1.7929 BFGS: 5695 16:19:49 -5955.801831 1.7927 BFGS: 5696 16:19:50 -5955.818171 1.7925 BFGS: 5697 16:19:50 -5955.834161 1.7924 BFGS: 5698 16:19:51 -5955.849782 1.7941 BFGS: 5699 16:19:51 -5955.865071 1.7940 BFGS: 5700 16:19:52 -5955.879977 1.7938 BFGS: 5701 16:19:52 -5955.894540 1.7938 BFGS: 5702 16:19:52 -5955.908727 1.7937 BFGS: 5703 16:19:53 -5955.922567 1.7937 BFGS: 5704 16:19:53 -5955.936034 1.7936 BFGS: 5705 16:19:54 -5955.949150 1.7937 BFGS: 5706 16:19:54 -5955.961895 1.7937 BFGS: 5707 16:19:55 -5955.974287 1.7937 BFGS: 5708 16:19:55 -5955.986311 1.7937 BFGS: 5709 16:19:55 -5955.997979 1.7938 BFGS: 5710 16:19:56 -5956.009280 1.7939 BFGS: 5711 16:19:56 -5956.020225 1.7940 BFGS: 5712 16:19:57 -5956.030803 1.7941 BFGS: 5713 16:19:57 -5956.041052 1.7954 BFGS: 5714 16:19:58 -5956.050923 1.7953 BFGS: 5715 16:19:58 -5956.060453 1.7955 BFGS: 5716 16:19:58 -5956.069609 1.7956 BFGS: 5717 16:19:59 -5956.078416 1.7958 BFGS: 5718 16:19:59 -5956.086854 1.7960 BFGS: 5719 16:20:00 -5956.094943 1.7959 BFGS: 5720 16:20:00 -5956.102676 1.7965 BFGS: 5721 16:20:01 -5956.110054 1.7972 BFGS: 5722 16:20:01 -5956.117067 1.7975 BFGS: 5723 16:20:01 -5956.123727 1.7980 BFGS: 5724 16:20:02 -5956.130028 1.7984 BFGS: 5725 16:20:02 -5956.135976 1.7989 BFGS: 5726 16:20:03 -5956.141569 1.7993 BFGS: 5727 16:20:03 -5956.146811 1.7998 BFGS: 5728 16:20:04 -5956.151703 1.8003 BFGS: 5729 16:20:04 -5956.156249 1.8009 BFGS: 5730 16:20:04 -5956.160449 1.8014 BFGS: 5731 16:20:05 -5956.164310 1.8021 BFGS: 5732 16:20:05 -5956.167834 1.8027 BFGS: 5733 16:20:06 -5956.171049 1.8034 BFGS: 5734 16:20:06 -5956.173933 1.8038 BFGS: 5735 16:20:06 -5956.176504 1.8044 BFGS: 5736 16:20:07 -5956.178789 1.8068 BFGS: 5737 16:20:07 -5956.180786 1.8081 BFGS: 5738 16:20:08 -5956.182525 1.8083 BFGS: 5739 16:20:08 -5956.184049 1.8092 BFGS: 5740 16:20:09 -5956.185424 1.8102 BFGS: 5741 16:20:09 -5956.186761 1.8119 BFGS: 5742 16:20:09 -5956.188252 1.8136 BFGS: 5743 16:20:10 -5956.190253 1.8168 BFGS: 5744 16:20:10 -5956.193566 1.8208 BFGS: 5745 16:20:11 -5956.199770 1.8300 BFGS: 5746 16:20:11 -5956.205712 1.8362 BFGS: 5747 16:20:12 -5956.208506 1.8382 BFGS: 5748 16:20:12 -5956.210607 1.8385 BFGS: 5749 16:20:12 -5956.212258 1.8385 BFGS: 5750 16:20:13 -5956.213504 1.8380 BFGS: 5751 16:20:13 -5956.214370 1.8358 BFGS: 5752 16:20:14 -5956.214853 1.8347 BFGS: 5753 16:20:14 -5956.214967 1.8343 BFGS: 5754 16:20:14 -5956.214981 1.8340 BFGS: 5755 16:20:15 -5956.215012 1.8337 BFGS: 5756 16:20:15 -5956.215054 1.8338 BFGS: 5757 16:20:16 -5956.215062 1.8342 BFGS: 5758 16:20:16 -5956.215067 1.8348 BFGS: 5759 16:20:17 -5956.215070 1.8355 BFGS: 5760 16:20:17 -5956.215073 1.8362 BFGS: 5761 16:20:17 -5956.215075 1.8367 BFGS: 5762 16:20:18 -5956.215077 1.8371 BFGS: 5763 16:20:18 -5956.215082 1.8374 BFGS: 5764 16:20:19 -5956.215094 1.8377 BFGS: 5765 16:20:19 -5956.215123 1.8380 BFGS: 5766 16:20:19 -5956.215196 1.8382 BFGS: 5767 16:20:20 -5956.215374 1.8382 BFGS: 5768 16:20:20 -5956.215818 1.8377 BFGS: 5769 16:20:21 -5956.216920 1.8361 BFGS: 5770 16:20:21 -5956.219653 1.8338 BFGS: 5771 16:20:21 -5956.226059 1.8274 BFGS: 5772 16:20:22 -5956.242201 1.8153 BFGS: 5773 16:20:22 -5956.258745 1.8051 BFGS: 5774 16:20:23 -5956.278212 1.7961 BFGS: 5775 16:20:23 -5956.300054 1.7881 BFGS: 5776 16:20:24 -5956.323887 1.7806 BFGS: 5777 16:20:24 -5956.349372 1.7735 BFGS: 5778 16:20:24 -5956.376217 1.7668 BFGS: 5779 16:20:25 -5956.404193 1.7604 BFGS: 5780 16:20:25 -5956.433117 1.7542 BFGS: 5781 16:20:26 -5956.462846 1.7482 BFGS: 5782 16:20:26 -5956.493264 1.7423 BFGS: 5783 16:20:27 -5956.524280 1.7366 BFGS: 5784 16:20:27 -5956.555852 1.7309 BFGS: 5785 16:20:27 -5956.586549 1.7264 BFGS: 5786 16:20:28 -5956.618956 1.7212 BFGS: 5787 16:20:28 -5956.651746 1.7159 BFGS: 5788 16:20:29 -5956.684868 1.7106 BFGS: 5789 16:20:29 -5956.718285 1.7054 BFGS: 5790 16:20:29 -5956.751971 1.7002 BFGS: 5791 16:20:30 -5956.785902 1.6951 BFGS: 5792 16:20:30 -5956.820058 1.6900 BFGS: 5793 16:20:31 -5956.854421 1.6850 BFGS: 5794 16:20:31 -5956.888973 1.6800 BFGS: 5795 16:20:32 -5956.923706 1.6750 BFGS: 5796 16:20:32 -5956.957131 1.6715 BFGS: 5797 16:20:32 -5956.991943 1.6670 BFGS: 5798 16:20:33 -5957.027076 1.6623 BFGS: 5799 16:20:33 -5957.062380 1.6575 BFGS: 5800 16:20:34 -5957.097810 1.6526 BFGS: 5801 16:20:34 -5957.132141 1.6490 BFGS: 5802 16:20:34 -5957.167487 1.6447 BFGS: 5803 16:20:35 -5957.203129 1.6402 BFGS: 5804 16:20:35 -5957.238915 1.6355 BFGS: 5805 16:20:36 -5957.274788 1.6308 BFGS: 5806 16:20:36 -5957.310725 1.6261 BFGS: 5807 16:20:37 -5957.346712 1.6213 BFGS: 5808 16:20:37 -5957.382743 1.6166 BFGS: 5809 16:20:37 -5957.418809 1.6119 BFGS: 5810 16:20:38 -5957.454909 1.6072 BFGS: 5811 16:20:38 -5957.491086 1.6032 BFGS: 5812 16:20:39 -5957.527109 1.5988 BFGS: 5813 16:20:39 -5957.563235 1.5954 BFGS: 5814 16:20:39 -5957.599395 1.5952 BFGS: 5815 16:20:40 -5957.635566 1.5951 BFGS: 5816 16:20:40 -5957.671736 1.5946 BFGS: 5817 16:20:41 -5957.707900 1.5939 BFGS: 5818 16:20:41 -5957.744054 1.5930 BFGS: 5819 16:20:42 -5957.780192 1.5919 BFGS: 5820 16:20:42 -5957.816311 1.5906 BFGS: 5821 16:20:42 -5957.852406 1.5891 BFGS: 5822 16:20:43 -5957.888473 1.5875 BFGS: 5823 16:20:43 -5957.924509 1.5857 BFGS: 5824 16:20:44 -5957.960510 1.5838 BFGS: 5825 16:20:44 -5957.996472 1.5817 BFGS: 5826 16:20:45 -5958.032393 1.5795 BFGS: 5827 16:20:45 -5958.068269 1.5771 BFGS: 5828 16:20:45 -5958.104097 1.5746 BFGS: 5829 16:20:46 -5958.139874 1.5720 BFGS: 5830 16:20:46 -5958.175613 1.5692 BFGS: 5831 16:20:47 -5958.210263 1.5668 BFGS: 5832 16:20:47 -5958.245816 1.5527 BFGS: 5833 16:20:48 -5958.281649 1.5829 BFGS: 5834 16:20:48 -5958.320792 1.5724 BFGS: 5835 16:20:48 -5958.356969 1.5748 BFGS: 5836 16:20:49 -5958.393092 1.5706 BFGS: 5837 16:20:49 -5958.428665 1.5690 BFGS: 5838 16:20:50 -5958.464176 1.5655 BFGS: 5839 16:20:50 -5958.499513 1.5625 BFGS: 5840 16:20:50 -5958.534773 1.5589 BFGS: 5841 16:20:51 -5958.569932 1.5554 BFGS: 5842 16:20:51 -5958.605012 1.5517 BFGS: 5843 16:20:52 -5958.640013 1.5479 BFGS: 5844 16:20:52 -5958.675043 1.5431 BFGS: 5845 16:20:53 -5958.709904 1.5400 BFGS: 5846 16:20:53 -5958.744641 1.5356 BFGS: 5847 16:20:53 -5958.779285 1.5317 BFGS: 5848 16:20:54 -5958.813851 1.5275 BFGS: 5849 16:20:54 -5958.848333 1.5234 BFGS: 5850 16:20:55 -5958.882733 1.5192 BFGS: 5851 16:20:55 -5958.917046 1.5149 BFGS: 5852 16:20:55 -5958.951273 1.5106 BFGS: 5853 16:20:56 -5958.985412 1.5063 BFGS: 5854 16:20:56 -5959.019460 1.5019 BFGS: 5855 16:20:57 -5959.053417 1.4974 BFGS: 5856 16:20:57 -5959.087281 1.4929 BFGS: 5857 16:20:58 -5959.121052 1.4884 BFGS: 5858 16:20:58 -5959.154729 1.4838 BFGS: 5859 16:20:58 -5959.188311 1.4792 BFGS: 5860 16:20:59 -5959.221796 1.4745 BFGS: 5861 16:20:59 -5959.255185 1.4698 BFGS: 5862 16:21:00 -5959.288477 1.4651 BFGS: 5863 16:21:00 -5959.321669 1.4604 BFGS: 5864 16:21:01 -5959.354763 1.4556 BFGS: 5865 16:21:01 -5959.387757 1.4508 BFGS: 5866 16:21:01 -5959.420650 1.4459 BFGS: 5867 16:21:02 -5959.453443 1.4411 BFGS: 5868 16:21:02 -5959.486133 1.4362 BFGS: 5869 16:21:03 -5959.518721 1.4313 BFGS: 5870 16:21:03 -5959.551206 1.4263 BFGS: 5871 16:21:04 -5959.583587 1.4213 BFGS: 5872 16:21:04 -5959.615865 1.4164 BFGS: 5873 16:21:04 -5959.648054 1.4113 BFGS: 5874 16:21:05 -5959.677912 1.4120 BFGS: 5875 16:21:05 -5959.709405 1.4018 BFGS: 5876 16:21:06 -5959.740835 1.3979 BFGS: 5877 16:21:06 -5959.772478 1.3918 BFGS: 5878 16:21:07 -5959.804056 1.3869 BFGS: 5879 16:21:07 -5959.835579 1.3817 BFGS: 5880 16:21:07 -5959.867008 1.3766 BFGS: 5881 16:21:08 -5959.898339 1.3715 BFGS: 5882 16:21:08 -5959.929567 1.3664 BFGS: 5883 16:21:09 -5959.960688 1.3612 BFGS: 5884 16:21:09 -5959.991701 1.3560 BFGS: 5885 16:21:09 -5960.022606 1.3508 BFGS: 5886 16:21:10 -5960.053400 1.3456 BFGS: 5887 16:21:10 -5960.084084 1.3404 BFGS: 5888 16:21:11 -5960.114657 1.3352 BFGS: 5889 16:21:11 -5960.145127 1.3299 BFGS: 5890 16:21:12 -5960.174831 1.3253 BFGS: 5891 16:21:12 -5960.204994 1.3196 BFGS: 5892 16:21:12 -5960.235029 1.3144 BFGS: 5893 16:21:13 -5960.265016 1.3090 BFGS: 5894 16:21:13 -5960.294903 1.3038 BFGS: 5895 16:21:14 -5960.324692 1.2985 BFGS: 5896 16:21:14 -5960.354417 1.2933 BFGS: 5897 16:21:15 -5960.383491 1.2898 BFGS: 5898 16:21:15 -5960.412966 1.2841 BFGS: 5899 16:21:15 -5960.442295 1.2788 BFGS: 5900 16:21:16 -5960.471542 1.2734 BFGS: 5901 16:21:16 -5960.500686 1.2681 BFGS: 5902 16:21:17 -5960.529720 1.2627 BFGS: 5903 16:21:17 -5960.558645 1.2574 BFGS: 5904 16:21:17 -5960.587456 1.2520 BFGS: 5905 16:21:18 -5960.616153 1.2466 BFGS: 5906 16:21:18 -5960.644735 1.2411 BFGS: 5907 16:21:19 -5960.673201 1.2357 BFGS: 5908 16:21:19 -5960.701550 1.2302 BFGS: 5909 16:21:20 -5960.729782 1.2247 BFGS: 5910 16:21:20 -5960.757896 1.2192 BFGS: 5911 16:21:20 -5960.785891 1.2137 BFGS: 5912 16:21:21 -5960.813768 1.2081 BFGS: 5913 16:21:21 -5960.841526 1.2026 BFGS: 5914 16:21:22 -5960.869165 1.1970 BFGS: 5915 16:21:22 -5960.896683 1.1914 BFGS: 5916 16:21:22 -5960.924081 1.1858 BFGS: 5917 16:21:23 -5960.951359 1.1802 BFGS: 5918 16:21:23 -5960.978515 1.1746 BFGS: 5919 16:21:24 -5961.005550 1.1689 BFGS: 5920 16:21:24 -5961.032463 1.1632 BFGS: 5921 16:21:25 -5961.059261 1.1598 BFGS: 5922 16:21:25 -5961.085484 1.1536 BFGS: 5923 16:21:25 -5961.111988 1.1468 BFGS: 5924 16:21:26 -5961.138370 1.1410 BFGS: 5925 16:21:26 -5961.164671 1.1352 BFGS: 5926 16:21:27 -5961.190891 1.1294 BFGS: 5927 16:21:27 -5961.215986 1.1272 BFGS: 5928 16:21:28 -5961.241074 1.1233 BFGS: 5929 16:21:28 -5961.266941 1.1168 BFGS: 5930 16:21:28 -5961.291902 1.1148 BFGS: 5931 16:21:29 -5961.317607 1.1084 BFGS: 5932 16:21:29 -5961.343160 1.1024 BFGS: 5933 16:21:30 -5961.368644 1.0967 BFGS: 5934 16:21:30 -5961.394004 1.0908 BFGS: 5935 16:21:31 -5961.419246 1.0851 BFGS: 5936 16:21:31 -5961.444374 1.0793 BFGS: 5937 16:21:31 -5961.470138 1.0724 BFGS: 5938 16:21:32 -5961.495417 1.0682 BFGS: 5939 16:21:32 -5961.520348 1.0644 BFGS: 5940 16:21:33 -5961.544747 1.0610 BFGS: 5941 16:21:33 -5961.569302 1.0537 BFGS: 5942 16:21:33 -5961.593706 1.0479 BFGS: 5943 16:21:34 -5961.617989 1.0416 BFGS: 5944 16:21:34 -5961.642140 1.0355 BFGS: 5945 16:21:35 -5961.666160 1.0294 BFGS: 5946 16:21:35 -5961.690049 1.0233 BFGS: 5947 16:21:35 -5961.713808 1.0173 BFGS: 5948 16:21:36 -5961.737437 1.0112 BFGS: 5949 16:21:36 -5961.760936 1.0052 BFGS: 5950 16:21:37 -5961.784304 0.9991 BFGS: 5951 16:21:37 -5961.807542 0.9931 BFGS: 5952 16:21:38 -5961.830649 0.9871 BFGS: 5953 16:21:38 -5961.853624 0.9810 BFGS: 5954 16:21:38 -5961.876468 0.9750 BFGS: 5955 16:21:39 -5961.899180 0.9689 BFGS: 5956 16:21:39 -5961.921759 0.9629 BFGS: 5957 16:21:40 -5961.944205 0.9568 BFGS: 5958 16:21:40 -5961.966518 0.9507 BFGS: 5959 16:21:40 -5961.988697 0.9446 BFGS: 5960 16:21:41 -5962.010742 0.9385 BFGS: 5961 16:21:41 -5962.032653 0.9324 BFGS: 5962 16:21:42 -5962.054429 0.9263 BFGS: 5963 16:21:42 -5962.076070 0.9201 BFGS: 5964 16:21:43 -5962.097576 0.9140 BFGS: 5965 16:21:43 -5962.118945 0.9078 BFGS: 5966 16:21:43 -5962.140179 0.9016 BFGS: 5967 16:21:44 -5962.161276 0.8955 BFGS: 5968 16:21:44 -5962.182236 0.8893 BFGS: 5969 16:21:45 -5962.203058 0.8830 BFGS: 5970 16:21:45 -5962.223743 0.8768 BFGS: 5971 16:21:45 -5962.244290 0.8706 BFGS: 5972 16:21:46 -5962.264705 0.8643 BFGS: 5973 16:21:46 -5962.284975 0.8571 BFGS: 5974 16:21:47 -5962.305062 0.8512 BFGS: 5975 16:21:47 -5962.325042 0.8449 BFGS: 5976 16:21:47 -5962.344504 0.8394 BFGS: 5977 16:21:48 -5962.364175 0.8330 BFGS: 5978 16:21:48 -5962.383732 0.8267 BFGS: 5979 16:21:49 -5962.403179 0.8206 BFGS: 5980 16:21:49 -5962.422494 0.8144 BFGS: 5981 16:21:50 -5962.441674 0.8082 BFGS: 5982 16:21:50 -5962.460716 0.8020 BFGS: 5983 16:21:50 -5962.479621 0.7957 BFGS: 5984 16:21:51 -5962.498500 0.7890 BFGS: 5985 16:21:51 -5962.517142 0.7830 BFGS: 5986 16:21:52 -5962.535635 0.7767 BFGS: 5987 16:21:52 -5962.553977 0.7704 BFGS: 5988 16:21:53 -5962.572177 0.7641 BFGS: 5989 16:21:53 -5962.590232 0.7578 BFGS: 5990 16:21:53 -5962.608145 0.7514 BFGS: 5991 16:21:54 -5962.625915 0.7451 BFGS: 5992 16:21:54 -5962.643541 0.7387 BFGS: 5993 16:21:55 -5962.661022 0.7323 BFGS: 5994 16:21:55 -5962.678359 0.7259 BFGS: 5995 16:21:55 -5962.695581 0.7194 BFGS: 5996 16:21:56 -5962.712220 0.7136 BFGS: 5997 16:21:56 -5962.729040 0.7070 BFGS: 5998 16:21:57 -5962.745765 0.7005 BFGS: 5999 16:21:57 -5962.762378 0.6941 BFGS: 6000 16:21:57 -5962.778854 0.6876 BFGS: 6001 16:21:58 -5962.795188 0.6811 BFGS: 6002 16:21:58 -5962.811391 0.6746 BFGS: 6003 16:21:59 -5962.827294 0.6699 BFGS: 6004 16:21:59 -5962.843245 0.6633 BFGS: 6005 16:22:00 -5962.859037 0.6567 BFGS: 6006 16:22:00 -5962.874685 0.6502 BFGS: 6007 16:22:00 -5962.890179 0.6436 BFGS: 6008 16:22:01 -5962.905520 0.6370 BFGS: 6009 16:22:01 -5962.920708 0.6303 BFGS: 6010 16:22:02 -5962.935745 0.6237 BFGS: 6011 16:22:02 -5962.950628 0.6170 BFGS: 6012 16:22:02 -5962.965360 0.6103 BFGS: 6013 16:22:03 -5962.979940 0.6036 BFGS: 6014 16:22:03 -5962.994368 0.5969 BFGS: 6015 16:22:04 -5963.008643 0.5902 BFGS: 6016 16:22:04 -5963.022766 0.5835 BFGS: 6017 16:22:04 -5963.036735 0.5768 BFGS: 6018 16:22:05 -5963.050552 0.5700 BFGS: 6019 16:22:05 -5963.064214 0.5633 BFGS: 6020 16:22:06 -5963.077722 0.5565 BFGS: 6021 16:22:06 -5963.091076 0.5497 BFGS: 6022 16:22:07 -5963.104307 0.5430 BFGS: 6023 16:22:07 -5963.117069 0.5380 BFGS: 6024 16:22:07 -5963.129832 0.5320 BFGS: 6025 16:22:08 -5963.142531 0.5251 BFGS: 6026 16:22:08 -5963.155133 0.5185 BFGS: 6027 16:22:09 -5963.167616 0.5118 BFGS: 6028 16:22:09 -5963.179967 0.5052 BFGS: 6029 16:22:09 -5963.192175 0.4985 BFGS: 6030 16:22:10 -5963.204237 0.4918 BFGS: 6031 16:22:10 -5963.216148 0.4852 BFGS: 6032 16:22:11 -5963.227905 0.4785 BFGS: 6033 16:22:11 -5963.239508 0.4718 BFGS: 6034 16:22:12 -5963.250954 0.4650 BFGS: 6035 16:22:12 -5963.262244 0.4583 BFGS: 6036 16:22:12 -5963.273388 0.4515 BFGS: 6037 16:22:13 -5963.284195 0.4444 BFGS: 6038 16:22:13 -5963.294932 0.4378 BFGS: 6039 16:22:14 -5963.305660 0.4310 BFGS: 6040 16:22:14 -5963.316211 0.4249 BFGS: 6041 16:22:14 -5963.326600 0.4181 BFGS: 6042 16:22:15 -5963.336825 0.4114 BFGS: 6043 16:22:15 -5963.346888 0.4046 BFGS: 6044 16:22:16 -5963.356789 0.3978 BFGS: 6045 16:22:16 -5963.366529 0.3910 BFGS: 6046 16:22:17 -5963.376106 0.3842 BFGS: 6047 16:22:17 -5963.385521 0.3773 BFGS: 6048 16:22:17 -5963.394773 0.3706 BFGS: 6049 16:22:18 -5963.403863 0.3640 BFGS: 6050 16:22:18 -5963.412789 0.3573 BFGS: 6051 16:22:19 -5963.421551 0.3507 BFGS: 6052 16:22:19 -5963.430152 0.3440 BFGS: 6053 16:22:19 -5963.438411 0.3399 BFGS: 6054 16:22:20 -5963.446590 0.3334 BFGS: 6055 16:22:20 -5963.454704 0.3265 BFGS: 6056 16:22:21 -5963.462709 0.3201 BFGS: 6057 16:22:21 -5963.470546 0.3147 BFGS: 6058 16:22:22 -5963.478279 0.3089 BFGS: 6059 16:22:22 -5963.485840 0.3021 BFGS: 6060 16:22:22 -5963.493304 0.2989 BFGS: 6061 16:22:23 -5963.500407 0.2924 BFGS: 6062 16:22:23 -5963.507486 0.2857 BFGS: 6063 16:22:24 -5963.514438 0.2791 BFGS: 6064 16:22:24 -5963.521252 0.2724 BFGS: 6065 16:22:24 -5963.527917 0.2660 BFGS: 6066 16:22:25 -5963.534428 0.2595 BFGS: 6067 16:22:25 -5963.540779 0.2529 BFGS: 6068 16:22:26 -5963.546968 0.2463 BFGS: 6069 16:22:26 -5963.552993 0.2396 BFGS: 6070 16:22:26 -5963.558850 0.2328 BFGS: 6071 16:22:27 -5963.564540 0.2261 BFGS: 6072 16:22:27 -5963.570062 0.2193 BFGS: 6073 16:22:28 -5963.575414 0.2124 BFGS: 6074 16:22:28 -5963.580596 0.2056 BFGS: 6075 16:22:29 -5963.585608 0.1987 BFGS: 6076 16:22:29 -5963.590448 0.1918 BFGS: 6077 16:22:29 -5963.595117 0.1848 BFGS: 6078 16:22:30 -5963.599614 0.1779 BFGS: 6079 16:22:30 -5963.603938 0.1709 BFGS: 6080 16:22:31 -5963.608090 0.1639 BFGS: 6081 16:22:31 -5963.612077 0.1569 BFGS: 6082 16:22:31 -5963.615843 0.1530 BFGS: 6083 16:22:32 -5963.619457 0.1445 BFGS: 6084 16:22:32 -5963.622911 0.1372 BFGS: 6085 16:22:33 -5963.626207 0.1297 BFGS: 6086 16:22:33 -5963.629369 0.1216 BFGS: 6087 16:22:34 -5963.632347 0.1148 BFGS: 6088 16:22:34 -5963.635142 0.1079 BFGS: 6089 16:22:34 -5963.637754 0.1009 BFGS: 6090 16:22:35 -5963.640186 0.0939 BFGS: 6091 16:22:35 -5963.642439 0.0868 BFGS: 6092 16:22:36 -5963.644514 0.0797 BFGS: 6093 16:22:36 -5963.646411 0.0726 BFGS: 6094 16:22:37 -5963.648130 0.0654 BFGS: 6095 16:22:37 -5963.649671 0.0583 BFGS: 6096 16:22:37 -5963.651034 0.0511 BFGS: 6097 16:22:38 -5963.652218 0.0441 BFGS: 6098 16:22:38 -5963.653223 0.0370 BFGS: 6099 16:22:39 -5963.654049 0.0298 BFGS: 6100 16:22:39 -5963.654696 0.0226 BFGS: 6101 16:22:40 -5963.655162 0.0155 BFGS: 6102 16:22:40 -5963.655449 0.0084 BFGS: 6103 16:22:40 -5963.655555 0.0019 BFGS: 6104 16:22:41 -5963.655556 0.0021 BFGS: 6105 16:22:41 -5963.655556 0.0018 BFGS: 6106 16:22:42 -5963.655556 0.0006 BFGS: 6107 16:22:42 -5963.655556 0.0005 BFGS: 6108 16:22:42 -5963.655556 0.0003 BFGS: 6109 16:22:43 -5963.655556 0.0002 BFGS: 6110 16:22:43 -5963.655556 0.0002 BFGS: 6111 16:22:44 -5963.655556 0.0001 BFGS: 6112 16:22:44 -5963.655556 0.0001 BFGS: 6113 16:22:45 -5963.655556 0.0000 BFGS: 6114 16:22:45 -5963.655556 0.0000 BFGS: 6115 16:22:46 -5963.655556 0.0000 BFGS: 6116 16:22:46 -5963.655556 0.0000 BFGS: 6117 16:22:47 -5963.655556 0.0000 BFGS: 6118 16:22:47 -5963.655556 0.0000 BFGS: 6119 16:22:47 -5963.655556 0.0000 BFGS: 6120 16:22:48 -5963.655556 0.0000 BFGS: 6121 16:22:48 -5963.655556 0.0000 BFGS: 6122 16:22:49 -5963.655556 0.0000 BFGS: 6123 16:22:49 -5963.655556 0.0000 BFGS: 6124 16:22:50 -5963.655556 0.0000 BFGS: 6125 16:22:50 -5963.655556 0.0000 BFGS: 6126 16:22:50 -5963.655556 0.0000 BFGS: 6127 16:22:51 -5963.655556 0.0000 BFGS: 6128 16:22:51 -5963.655556 0.0000 Minimization converged after 6128 steps. Maximum force component: 9.668005756967468e-09 eV/Angstrom Maximum stress component: 8.618602763338133e-10 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', 'C', 'C', 'C', 'C', 'C', 'C', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O'] basis = [[0.85150434 0.70300869 0.57053376] [0.29699131 0.14849566 0.57053376] [0.85150434 0.14849566 0.57053376] [0.29699131 0.14849566 0.07053376] [0.85150434 0.70300869 0.07053376] [0.85150434 0.14849566 0.07053376] [0.51817101 0.03634202 0.90386709] [0.96365798 0.48182899 0.90386709] [0.51817101 0.48182899 0.90386709] [0.96365798 0.48182899 0.40386709] [0.51817101 0.03634202 0.40386709] [0.51817101 0.48182899 0.40386709] [0.18483768 0.36967535 0.23720043] [0.63032465 0.81516232 0.23720043] [0.18483768 0.81516232 0.23720043] [0.63032465 0.81516232 0.73720043] [0.18483768 0.36967535 0.73720043] [0.18483768 0.81516232 0.73720043] [0.14631383 0.85368617 0.16197332] [0.14631383 0.29262765 0.16197332] [0.70737235 0.85368617 0.16197332] [0.14631383 0.85368617 0.66197332] [0.70737235 0.85368617 0.66197332] [0.14631383 0.29262765 0.66197332] [0.81298049 0.18701951 0.49530665] [0.81298049 0.62596099 0.49530665] [0.37403901 0.18701951 0.49530665] [0.81298049 0.18701951 0.99530665] [0.37403901 0.18701951 0.99530665] [0.81298049 0.62596099 0.99530665] [0.47964716 0.52035284 0.82863998] [0.47964716 0.95929432 0.82863998] [0.04070568 0.52035284 0.82863998] [0.47964716 0.52035284 0.32863998] [0.04070568 0.52035284 0.32863998] [0.47964716 0.95929432 0.32863998] [0.98853075 0.49426538 0.17320655] [0.50573462 0.49426538 0.17320655] [0.50573462 0.01146925 0.17320655] [0.50573462 0.01146925 0.67320655] [0.50573462 0.49426538 0.67320655] [0.98853075 0.49426538 0.67320655] [0.65519742 0.82759871 0.50653988] [0.17240129 0.82759871 0.50653988] [0.17240129 0.34480258 0.50653988] [0.17240129 0.34480258 0.00653988] [0.17240129 0.82759871 0.00653988] [0.65519742 0.82759871 0.00653988] [0.32186409 0.16093204 0.83987322] [0.83906796 0.16093204 0.83987322] [0.83906796 0.67813591 0.83987322] [0.83906796 0.67813591 0.33987322] [0.83906796 0.16093204 0.33987322] [0.32186409 0.16093204 0.33987322] [0.78865463 0.39432732 0.16419563] [0.60567268 0.39432732 0.16419563] [0.60567268 0.21134537 0.16419563] [0.60567268 0.21134537 0.66419563] [0.60567268 0.39432732 0.66419563] [0.78865463 0.39432732 0.66419563] [0.4553213 0.72766065 0.49752896] [0.27233935 0.72766065 0.49752896] [0.27233935 0.5446787 0.49752896] [0.27233935 0.5446787 0.99752896] [0.27233935 0.72766065 0.99752896] [0.4553213 0.72766065 0.99752896] [0.12198796 0.06099398 0.83086229] [0.93900602 0.06099398 0.83086229] [0.93900602 0.87801204 0.83086229] [0.93900602 0.87801204 0.33086229] [0.93900602 0.06099398 0.33086229] [0.12198796 0.06099398 0.33086229] [0.45249601 0.90499203 0.48804215] [0.09500797 0.54750399 0.48804215] [0.45249601 0.54750399 0.48804215] [0.09500797 0.54750399 0.98804215] [0.45249601 0.90499203 0.98804215] [0.45249601 0.54750399 0.98804215] [0.11916268 0.23832536 0.82137549] [0.76167464 0.88083732 0.82137549] [0.11916268 0.88083732 0.82137549] [0.76167464 0.88083732 0.32137549] [0.11916268 0.23832536 0.32137549] [0.11916268 0.88083732 0.32137549] [0.78582935 0.5716587 0.15470882] [0.4283413 0.21417065 0.15470882] [0.78582935 0.21417065 0.15470882] [0.4283413 0.21417065 0.65470882] [0.78582935 0.5716587 0.65470882] [0.78582935 0.21417065 0.65470882] [0.75001752 0.87500876 0.53324089] [0.12499124 0.87500876 0.53324089] [0.12499124 0.24998248 0.53324089] [0.12499124 0.24998248 0.03324089] [0.12499124 0.87500876 0.03324089] [0.75001752 0.87500876 0.03324089] [0.41668418 0.20834209 0.86657422] [0.79165791 0.20834209 0.86657422] [0.79165791 0.58331582 0.86657422] [0.79165791 0.58331582 0.36657422] [0.79165791 0.20834209 0.36657422] [0.41668418 0.20834209 0.36657422] [0.08335085 0.54167542 0.19990756] [0.45832458 0.54167542 0.19990756] [0.45832458 0.91664915 0.19990756] [0.45832458 0.91664915 0.69990756] [0.45832458 0.54167542 0.69990756] [0.08335085 0.54167542 0.69990756] [0.94027737 0.05972263 0.52834122] [0.94027737 0.88055474 0.52834122] [0.11944526 0.05972263 0.52834122] [0.94027737 0.05972263 0.02834122] [0.11944526 0.05972263 0.02834122] [0.94027737 0.88055474 0.02834122] [0.60694404 0.39305596 0.86167455] [0.60694404 0.21388807 0.86167455] [0.78611193 0.39305596 0.86167455] [0.60694404 0.39305596 0.36167455] [0.78611193 0.39305596 0.36167455] [0.60694404 0.21388807 0.36167455] [0.2736107 0.7263893 0.19500788] [0.2736107 0.54722141 0.19500788] [0.45277859 0.7263893 0.19500788] [0.2736107 0.7263893 0.69500788] [0.45277859 0.7263893 0.69500788] [0.2736107 0.54722141 0.69500788] [0.5259153 0.4740847 0.12079226] [0.5259153 0.05183059 0.12079226] [0.94816941 0.4740847 0.12079226] [0.5259153 0.4740847 0.62079226] [0.94816941 0.4740847 0.62079226] [0.5259153 0.05183059 0.62079226] [0.19258196 0.80741804 0.45412559] [0.19258196 0.38516393 0.45412559] [0.61483607 0.80741804 0.45412559] [0.19258196 0.80741804 0.95412559] [0.61483607 0.80741804 0.95412559] [0.19258196 0.38516393 0.95412559] [0.85924863 0.14075137 0.78745892] [0.85924863 0.71849726 0.78745892] [0.28150274 0.14075137 0.78745892] [0.85924863 0.14075137 0.28745892] [0.28150274 0.14075137 0.28745892] [0.85924863 0.71849726 0.28745892] [0.45699754 0.91399507 0.03467576] [0.08600493 0.54300246 0.03467576] [0.45699754 0.54300246 0.03467576] [0.08600493 0.54300246 0.53467576] [0.45699754 0.91399507 0.53467576] [0.45699754 0.54300246 0.53467576] [0.1236642 0.24732841 0.3680091 ] [0.75267159 0.8763358 0.3680091 ] [0.1236642 0.8763358 0.3680091 ] [0.75267159 0.8763358 0.8680091 ] [0.1236642 0.24732841 0.8680091 ] [0.1236642 0.8763358 0.8680091 ] [0.79033087 0.58066174 0.70134243] [0.41933826 0.20966913 0.70134243] [0.79033087 0.20966913 0.70134243] [0.41933826 0.20966913 0.20134243] [0.79033087 0.58066174 0.20134243] [0.79033087 0.20966913 0.20134243]] cellpar = Cell([[3.275319307914871, 8.630485933070338e-17, -2.5627166339175225e-16], [-1.6376596539574355, 2.8365097261608083, -1.3127006064689668e-15], [-4.344071142579398e-16, -3.773723206137937e-15, 20.39955247119385]]) forces = [[-3.40502241e-09 7.47180635e-10 4.55142376e-10] [ 1.05543380e-09 -3.32242623e-09 4.55142376e-10] [ 2.34958862e-09 2.57524559e-09 4.55142376e-10] [-2.34958862e-09 2.57524559e-09 4.55142376e-10] [ 3.40502241e-09 7.47180635e-10 4.55142376e-10] [-1.05543380e-09 -3.32242623e-09 4.55142376e-10] [-3.40502241e-09 7.47180635e-10 4.55142376e-10] [ 1.05543380e-09 -3.32242623e-09 4.55142376e-10] [ 2.34958862e-09 2.57524559e-09 4.55142376e-10] [-2.34958862e-09 2.57524559e-09 4.55142376e-10] [ 3.40502241e-09 7.47180635e-10 4.55142376e-10] [-1.05543380e-09 -3.32242623e-09 4.55142376e-10] [-3.40502241e-09 7.47180635e-10 4.55142376e-10] [ 1.05543380e-09 -3.32242623e-09 4.55142376e-10] [ 2.34958862e-09 2.57524559e-09 4.55142376e-10] [-2.34958862e-09 2.57524559e-09 4.55142376e-10] [ 3.40502241e-09 7.47180635e-10 4.55142376e-10] [-1.05543380e-09 -3.32242623e-09 4.55142376e-10] [ 7.78034544e-10 -1.69752287e-09 -4.87837509e-09] [ 1.08108066e-09 1.52255912e-09 -4.87837509e-09] [-1.85911520e-09 1.74963754e-10 -4.87837509e-09] [ 1.85911520e-09 1.74963754e-10 -4.87837509e-09] [-7.78034544e-10 -1.69752287e-09 -4.87837509e-09] [-1.08108066e-09 1.52255912e-09 -4.87837509e-09] [ 7.78034544e-10 -1.69752287e-09 -4.87837509e-09] [ 1.08108066e-09 1.52255912e-09 -4.87837509e-09] [-1.85911520e-09 1.74963754e-10 -4.87837509e-09] [ 1.85911520e-09 1.74963754e-10 -4.87837509e-09] [-7.78034544e-10 -1.69752287e-09 -4.87837509e-09] [-1.08108066e-09 1.52255912e-09 -4.87837509e-09] [ 7.78034544e-10 -1.69752287e-09 -4.87837509e-09] [ 1.08108066e-09 1.52255912e-09 -4.87837509e-09] [-1.85911520e-09 1.74963754e-10 -4.87837509e-09] [ 1.85911520e-09 1.74963754e-10 -4.87837509e-09] [-7.78034544e-10 -1.69752287e-09 -4.87837509e-09] [-1.08108066e-09 1.52255912e-09 -4.87837509e-09] [-2.14841258e-09 5.38570892e-09 -9.39876973e-10] [-3.58995445e-09 -4.55343434e-09 -9.39876973e-10] [ 5.73836704e-09 -8.32274588e-10 -9.39876973e-10] [-5.73836704e-09 -8.32274588e-10 -9.39876973e-10] [ 2.14841258e-09 5.38570892e-09 -9.39876973e-10] [ 3.58995445e-09 -4.55343434e-09 -9.39876973e-10] [-2.14841258e-09 5.38570892e-09 -9.39876973e-10] [-3.58995445e-09 -4.55343434e-09 -9.39876973e-10] [ 5.73836704e-09 -8.32274588e-10 -9.39876973e-10] [-5.73836704e-09 -8.32274588e-10 -9.39876973e-10] [ 2.14841258e-09 5.38570892e-09 -9.39876973e-10] [ 3.58995445e-09 -4.55343434e-09 -9.39876973e-10] [-2.14841258e-09 5.38570892e-09 -9.39876973e-10] [-3.58995445e-09 -4.55343434e-09 -9.39876973e-10] [ 5.73836704e-09 -8.32274588e-10 -9.39876973e-10] [-5.73836704e-09 -8.32274588e-10 -9.39876973e-10] [ 2.14841258e-09 5.38570892e-09 -9.39876973e-10] [ 3.58995445e-09 -4.55343434e-09 -9.39876973e-10] [ 1.75456912e-09 9.60115496e-10 -2.09728513e-10] [-1.70876897e-09 1.03944368e-09 -2.09728513e-10] [-4.58001481e-11 -1.99955918e-09 -2.09728513e-10] [ 4.58001481e-11 -1.99955918e-09 -2.09728513e-10] [-1.75456912e-09 9.60115496e-10 -2.09728513e-10] [ 1.70876897e-09 1.03944368e-09 -2.09728513e-10] [ 1.75456912e-09 9.60115496e-10 -2.09728513e-10] [-1.70876897e-09 1.03944368e-09 -2.09728513e-10] [-4.58001481e-11 -1.99955918e-09 -2.09728513e-10] [ 4.58001481e-11 -1.99955918e-09 -2.09728513e-10] [-1.75456912e-09 9.60115496e-10 -2.09728513e-10] [ 1.70876897e-09 1.03944368e-09 -2.09728513e-10] [ 1.75456912e-09 9.60115496e-10 -2.09728513e-10] [-1.70876897e-09 1.03944368e-09 -2.09728513e-10] [-4.58001481e-11 -1.99955918e-09 -2.09728513e-10] [ 4.58001481e-11 -1.99955918e-09 -2.09728513e-10] [-1.75456912e-09 9.60115496e-10 -2.09728513e-10] [ 1.70876897e-09 1.03944368e-09 -2.09728513e-10] [-5.92536131e-09 1.01679898e-09 1.94415212e-09] [ 2.08210691e-09 -5.63991291e-09 1.94415212e-09] [ 3.84325440e-09 4.62311394e-09 1.94415212e-09] [-3.84325440e-09 4.62311394e-09 1.94415212e-09] [ 5.92536131e-09 1.01679898e-09 1.94415212e-09] [-2.08210691e-09 -5.63991291e-09 1.94415212e-09] [-5.92536131e-09 1.01679898e-09 1.94415212e-09] [ 2.08210691e-09 -5.63991291e-09 1.94415212e-09] [ 3.84325440e-09 4.62311394e-09 1.94415212e-09] [-3.84325440e-09 4.62311394e-09 1.94415212e-09] [ 5.92536131e-09 1.01679898e-09 1.94415212e-09] [-2.08210691e-09 -5.63991291e-09 1.94415212e-09] [-5.92536131e-09 1.01679898e-09 1.94415212e-09] [ 2.08210691e-09 -5.63991291e-09 1.94415212e-09] [ 3.84325440e-09 4.62311394e-09 1.94415212e-09] [-3.84325440e-09 4.62311394e-09 1.94415212e-09] [ 5.92536131e-09 1.01679898e-09 1.94415212e-09] [-2.08210691e-09 -5.63991291e-09 1.94415212e-09] [-1.17958104e-09 -3.14459386e-09 3.27322752e-09] [ 3.31308869e-09 5.50749779e-10 3.27322752e-09] [-2.13350764e-09 2.59384408e-09 3.27322752e-09] [ 2.13350764e-09 2.59384408e-09 3.27322752e-09] [ 1.17958104e-09 -3.14459386e-09 3.27322752e-09] [-3.31308869e-09 5.50749779e-10 3.27322752e-09] [-1.17958104e-09 -3.14459386e-09 3.27322752e-09] [ 3.31308869e-09 5.50749779e-10 3.27322752e-09] [-2.13350764e-09 2.59384408e-09 3.27322752e-09] [ 2.13350764e-09 2.59384408e-09 3.27322752e-09] [ 1.17958104e-09 -3.14459386e-09 3.27322752e-09] [-3.31308869e-09 5.50749779e-10 3.27322752e-09] [-1.17958104e-09 -3.14459386e-09 3.27322752e-09] [ 3.31308869e-09 5.50749779e-10 3.27322752e-09] [-2.13350764e-09 2.59384408e-09 3.27322752e-09] [ 2.13350764e-09 2.59384408e-09 3.27322752e-09] [ 1.17958104e-09 -3.14459386e-09 3.27322752e-09] [-3.31308869e-09 5.50749779e-10 3.27322752e-09] [ 9.66800576e-09 -2.21555836e-09 7.53517622e-10] [-2.91527306e-09 9.48051777e-09 7.53517622e-10] [-6.75273270e-09 -7.26495941e-09 7.53517622e-10] [ 6.75273270e-09 -7.26495941e-09 7.53517622e-10] [-9.66800576e-09 -2.21555836e-09 7.53517622e-10] [ 2.91527306e-09 9.48051777e-09 7.53517622e-10] [ 9.66800576e-09 -2.21555836e-09 7.53517622e-10] [-2.91527306e-09 9.48051777e-09 7.53517622e-10] [-6.75273270e-09 -7.26495941e-09 7.53517622e-10] [ 6.75273270e-09 -7.26495941e-09 7.53517622e-10] [-9.66800576e-09 -2.21555836e-09 7.53517622e-10] [ 2.91527306e-09 9.48051777e-09 7.53517622e-10] [ 9.66800576e-09 -2.21555836e-09 7.53517622e-10] [-2.91527306e-09 9.48051777e-09 7.53517622e-10] [-6.75273270e-09 -7.26495941e-09 7.53517622e-10] [ 6.75273270e-09 -7.26495941e-09 7.53517622e-10] [-9.66800576e-09 -2.21555836e-09 7.53517622e-10] [ 2.91527306e-09 9.48051777e-09 7.53517622e-10] [-1.51333895e-09 -1.00324481e-10 -5.17662721e-10] [ 8.43553025e-10 -1.26042774e-09 -5.17662721e-10] [ 6.69785926e-10 1.36075222e-09 -5.17662721e-10] [-6.69785926e-10 1.36075222e-09 -5.17662721e-10] [ 1.51333895e-09 -1.00324481e-10 -5.17662721e-10] [-8.43553025e-10 -1.26042774e-09 -5.17662721e-10] [-1.51333895e-09 -1.00324481e-10 -5.17662721e-10] [ 8.43553025e-10 -1.26042774e-09 -5.17662721e-10] [ 6.69785926e-10 1.36075222e-09 -5.17662721e-10] [-6.69785926e-10 1.36075222e-09 -5.17662721e-10] [ 1.51333895e-09 -1.00324481e-10 -5.17662721e-10] [-8.43553025e-10 -1.26042774e-09 -5.17662721e-10] [-1.51333895e-09 -1.00324481e-10 -5.17662721e-10] [ 8.43553025e-10 -1.26042774e-09 -5.17662721e-10] [ 6.69785926e-10 1.36075222e-09 -5.17662721e-10] [-6.69785926e-10 1.36075222e-09 -5.17662721e-10] [ 1.51333895e-09 -1.00324481e-10 -5.17662721e-10] [-8.43553025e-10 -1.26042774e-09 -5.17662721e-10] [-1.09982637e-11 -1.08155504e-09 1.19592532e-10] [ 9.42153272e-10 5.31252744e-10 1.19592532e-10] [-9.31155008e-10 5.50302295e-10 1.19592532e-10] [ 9.31155008e-10 5.50302295e-10 1.19592532e-10] [ 1.09982637e-11 -1.08155504e-09 1.19592532e-10] [-9.42153272e-10 5.31252744e-10 1.19592532e-10] [-1.09982637e-11 -1.08155504e-09 1.19592532e-10] [ 9.42153272e-10 5.31252744e-10 1.19592532e-10] [-9.31155008e-10 5.50302295e-10 1.19592532e-10] [ 9.31155008e-10 5.50302295e-10 1.19592532e-10] [ 1.09982637e-11 -1.08155504e-09 1.19592532e-10] [-9.42153272e-10 5.31252744e-10 1.19592532e-10] [-1.09982637e-11 -1.08155504e-09 1.19592532e-10] [ 9.42153272e-10 5.31252744e-10 1.19592532e-10] [-9.31155008e-10 5.50302295e-10 1.19592532e-10] [ 9.31155008e-10 5.50302295e-10 1.19592532e-10] [ 1.09982637e-11 -1.08155504e-09 1.19592532e-10] [-9.42153272e-10 5.31252744e-10 1.19592532e-10]] stress = [ 8.61860276e-10 8.61860276e-10 5.99374301e-10 6.05599013e-25 -1.80188726e-25 5.55174121e-25] energy per atom = -36.81268861876523 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Prototype label changed during relaxation: test template prototype is A2B5CD_hR54_161_2b_5b_b_b, while relaxed is A2B5CD_hR27_160_2b_5b_b_b. Skipping parameter set 0. No parameter sets in this group successfully added a property instance. Skipping this group.