element(s): ['Si'] AFLOW prototype label: A_cF136_227_aeg Parameter names: ['a', 'x2', 'x3', 'z3'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['14.7362', '0.76473335', '0.31636148', '0.12789779'] model name: Sim_LAMMPS_Vashishta_VashishtaKaliaNakano_2007_SiC__SM_196548226654_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si', 'Si'] representative atom coordinates = [[0. 0. 0. ] [0.88973335 0.88973335 0.88973335] [0.44136148 0.44136148 0.25289779]] spacegroup = 227 cell = [[14.7362, 0, 0], [0, 14.7362, 0], [0, 0, 14.7362]] ========================================= Step Time Energy fmax BFGS: 0 16:18:11 2283.798274 19.580694 BFGS: 1 16:18:12 2276.919272 19.535648 BFGS: 2 16:18:13 2270.630326 19.492674 BFGS: 3 16:18:14 2264.796338 19.451322 BFGS: 4 16:18:15 2259.322859 19.411274 BFGS: 5 16:18:16 2254.141512 19.372299 BFGS: 6 16:18:17 2249.201341 19.334223 BFGS: 7 16:18:18 2244.463451 19.296909 BFGS: 8 16:18:19 2239.897533 19.260254 BFGS: 9 16:18:20 2235.479547 19.224172 BFGS: 10 16:18:21 2231.190129 19.188595 BFGS: 11 16:18:21 2227.013465 19.153466 BFGS: 12 16:18:23 2222.936490 19.118739 BFGS: 13 16:18:23 2218.948286 19.084374 BFGS: 14 16:18:24 2215.039646 19.050339 BFGS: 15 16:18:26 2211.202735 19.016603 BFGS: 16 16:18:26 2207.430832 18.983143 BFGS: 17 16:18:27 2203.718130 18.949938 BFGS: 18 16:18:27 2200.059579 18.916968 BFGS: 19 16:18:28 2196.450756 18.884217 BFGS: 20 16:18:30 2192.887772 18.851671 BFGS: 21 16:18:30 2189.367180 18.819317 BFGS: 22 16:18:31 2185.885918 18.787143 BFGS: 23 16:18:32 2182.441246 18.755139 BFGS: 24 16:18:32 2179.030708 18.723295 BFGS: 25 16:18:33 2175.652087 18.691604 BFGS: 26 16:18:34 2172.303377 18.660057 BFGS: 27 16:18:34 2168.982755 18.628647 BFGS: 28 16:18:35 2165.688559 18.597369 BFGS: 29 16:18:35 2162.419266 18.566216 BFGS: 30 16:18:36 2159.173478 18.535183 BFGS: 31 16:18:37 2155.949908 18.504265 BFGS: 32 16:18:38 2152.747363 18.473457 BFGS: 33 16:18:39 2149.564737 18.442755 BFGS: 34 16:18:39 2146.401002 18.412155 BFGS: 35 16:18:40 2143.255196 18.381653 BFGS: 36 16:18:41 2140.126419 18.351245 BFGS: 37 16:18:42 2137.013825 18.320941 BFGS: 38 16:18:42 2133.916636 18.290823 BFGS: 39 16:18:43 2130.834233 18.260788 BFGS: 40 16:18:43 2127.765890 18.230834 BFGS: 41 16:18:45 2124.710920 18.200958 BFGS: 42 16:18:46 2121.668667 18.171159 BFGS: 43 16:18:47 2118.638508 18.141434 BFGS: 44 16:18:47 2115.619844 18.111782 BFGS: 45 16:18:48 2112.612099 18.082201 BFGS: 46 16:18:48 2109.614723 18.052689 BFGS: 47 16:18:49 2106.627180 18.023244 BFGS: 48 16:18:50 2103.648954 17.993865 BFGS: 49 16:18:51 2100.679546 17.964550 BFGS: 50 16:18:51 2097.718467 17.935297 BFGS: 51 16:18:51 2094.765245 17.906105 BFGS: 52 16:18:52 2091.819416 17.876972 BFGS: 53 16:18:52 2088.880529 17.847897 BFGS: 54 16:18:53 2085.948143 17.818877 BFGS: 55 16:18:54 2083.021824 17.789912 BFGS: 56 16:18:55 2080.101148 17.760999 BFGS: 57 16:18:55 2077.185700 17.732137 BFGS: 58 16:18:55 2074.275073 17.703324 BFGS: 59 16:18:56 2071.368866 17.674559 BFGS: 60 16:18:57 2068.466689 17.645839 BFGS: 61 16:18:58 2065.568159 17.617163 BFGS: 62 16:18:58 2062.672903 17.588528 BFGS: 63 16:18:59 2059.780556 17.559934 BFGS: 64 16:19:00 2056.890764 17.531377 BFGS: 65 16:19:00 2054.003184 17.502857 BFGS: 66 16:19:01 2051.117483 17.474371 BFGS: 67 16:19:02 2048.233342 17.445917 BFGS: 68 16:19:02 2045.350454 17.417494 BFGS: 69 16:19:03 2042.468526 17.389098 BFGS: 70 16:19:03 2039.587282 17.360728 BFGS: 71 16:19:03 2036.706459 17.332383 BFGS: 72 16:19:04 2033.825813 17.304059 BFGS: 73 16:19:05 2030.945115 17.275756 BFGS: 74 16:19:06 2028.064155 17.247471 BFGS: 75 16:19:06 2025.182743 17.219201 BFGS: 76 16:19:07 2022.300705 17.190946 BFGS: 77 16:19:07 2019.417888 17.162704 BFGS: 78 16:19:08 2016.534157 17.134471 BFGS: 79 16:19:09 2013.649395 17.106248 BFGS: 80 16:19:10 2010.763504 17.078031 BFGS: 81 16:19:10 2007.876404 17.049820 BFGS: 82 16:19:11 2004.988032 17.021612 BFGS: 83 16:19:12 2002.098262 16.994290 BFGS: 84 16:19:12 1999.206166 16.967676 BFGS: 85 16:19:13 1996.311335 16.941065 BFGS: 86 16:19:13 1993.413875 16.914457 BFGS: 87 16:19:14 1990.513898 16.887849 BFGS: 88 16:19:15 1987.611517 16.861240 BFGS: 89 16:19:16 1984.706849 16.834629 BFGS: 90 16:19:16 1981.800012 16.808014 BFGS: 91 16:19:16 1978.891125 16.781395 BFGS: 92 16:19:17 1975.980307 16.754771 BFGS: 93 16:19:17 1973.067678 16.728139 BFGS: 94 16:19:18 1970.153361 16.701500 BFGS: 95 16:19:18 1967.237481 16.674853 BFGS: 96 16:19:19 1964.320164 16.648197 BFGS: 97 16:19:19 1961.401541 16.621531 BFGS: 98 16:19:20 1958.481747 16.594855 BFGS: 99 16:19:20 1955.560921 16.568167 BFGS: 100 16:19:20 1952.639207 16.541469 BFGS: 101 16:19:21 1949.716755 16.514758 BFGS: 102 16:19:21 1946.793722 16.488035 BFGS: 103 16:19:21 1943.870270 16.461298 BFGS: 104 16:19:22 1940.946568 16.434549 BFGS: 105 16:19:22 1938.022792 16.407787 BFGS: 106 16:19:23 1935.099113 16.381370 BFGS: 107 16:19:24 1932.175449 16.355580 BFGS: 108 16:19:25 1929.251742 16.329777 BFGS: 109 16:19:25 1926.328213 16.303958 BFGS: 110 16:19:26 1923.405091 16.278124 BFGS: 111 16:19:26 1920.482611 16.252274 BFGS: 112 16:19:27 1917.561016 16.226406 BFGS: 113 16:19:28 1914.640557 16.200521 BFGS: 114 16:19:28 1911.721489 16.174618 BFGS: 115 16:19:29 1908.804076 16.148697 BFGS: 116 16:19:30 1905.888587 16.122757 BFGS: 117 16:19:31 1902.975297 16.096799 BFGS: 118 16:19:32 1900.064486 16.070823 BFGS: 119 16:19:33 1897.156441 16.044828 BFGS: 120 16:19:33 1894.251450 16.018814 BFGS: 121 16:19:34 1891.349810 15.992783 BFGS: 122 16:19:35 1888.451816 15.966733 BFGS: 123 16:19:36 1885.557772 15.940667 BFGS: 124 16:19:36 1882.667980 15.914583 BFGS: 125 16:19:37 1879.782747 15.888483 BFGS: 126 16:19:37 1876.902369 15.862677 BFGS: 127 16:19:38 1874.026873 15.838287 BFGS: 128 16:19:38 1871.156913 15.813883 BFGS: 129 16:19:39 1868.292767 15.789464 BFGS: 130 16:19:40 1865.434713 15.765032 BFGS: 131 16:19:40 1862.583028 15.740587 BFGS: 132 16:19:41 1859.737990 15.716128 BFGS: 133 16:19:42 1856.899872 15.691659 BFGS: 134 16:19:42 1854.068949 15.667178 BFGS: 135 16:19:43 1851.245490 15.642686 BFGS: 136 16:19:43 1848.429761 15.618185 BFGS: 137 16:19:44 1845.622025 15.593676 BFGS: 138 16:19:44 1842.822539 15.569158 BFGS: 139 16:19:45 1840.031555 15.544634 BFGS: 140 16:19:46 1837.249318 15.520104 BFGS: 141 16:19:46 1834.476067 15.495568 BFGS: 142 16:19:48 1831.712034 15.471028 BFGS: 143 16:19:48 1828.957443 15.446486 BFGS: 144 16:19:49 1826.212508 15.421941 BFGS: 145 16:19:50 1823.477438 15.397395 BFGS: 146 16:19:51 1820.752263 15.373738 BFGS: 147 16:19:51 1818.036455 15.350276 BFGS: 148 16:19:52 1815.330107 15.326808 BFGS: 149 16:19:52 1812.633406 15.303337 BFGS: 150 16:19:53 1809.946530 15.279864 BFGS: 151 16:19:53 1807.269436 15.257387 BFGS: 152 16:19:54 1804.601472 15.234928 BFGS: 153 16:19:54 1801.942799 15.212463 BFGS: 154 16:19:55 1799.293586 15.189996 BFGS: 155 16:19:55 1796.653990 15.167526 BFGS: 156 16:19:56 1794.024159 15.145054 BFGS: 157 16:19:56 1791.404230 15.122582 BFGS: 158 16:19:57 1788.794331 15.100109 BFGS: 159 16:19:58 1786.194576 15.077638 BFGS: 160 16:19:58 1783.605072 15.055168 BFGS: 161 16:19:58 1781.025913 15.032701 BFGS: 162 16:20:00 1778.457181 15.010238 BFGS: 163 16:20:00 1775.898950 14.987778 BFGS: 164 16:20:01 1773.351280 14.965323 BFGS: 165 16:20:02 1770.814224 14.942874 BFGS: 166 16:20:02 1768.287820 14.920432 BFGS: 167 16:20:03 1765.772100 14.897996 BFGS: 168 16:20:04 1763.267083 14.875569 BFGS: 169 16:20:05 1760.772780 14.853150 BFGS: 170 16:20:05 1758.289190 14.830740 BFGS: 171 16:20:06 1755.816305 14.808340 BFGS: 172 16:20:07 1753.354106 14.785951 BFGS: 173 16:20:07 1750.902568 14.763573 BFGS: 174 16:20:08 1748.461655 14.741206 BFGS: 175 16:20:09 1746.031324 14.718853 BFGS: 176 16:20:09 1743.611523 14.696512 BFGS: 177 16:20:10 1741.202196 14.674185 BFGS: 178 16:20:10 1738.803160 14.652391 BFGS: 179 16:20:11 1736.414142 14.630988 BFGS: 180 16:20:11 1734.035152 14.609607 BFGS: 181 16:20:12 1731.666117 14.588242 BFGS: 182 16:20:13 1729.306960 14.566894 BFGS: 183 16:20:13 1726.957595 14.545562 BFGS: 184 16:20:14 1724.617935 14.524248 BFGS: 185 16:20:15 1722.287886 14.502950 BFGS: 186 16:20:15 1719.967352 14.481669 BFGS: 187 16:20:15 1717.656231 14.460406 BFGS: 188 16:20:16 1715.354419 14.439161 BFGS: 189 16:20:16 1713.061809 14.417933 BFGS: 190 16:20:17 1710.778290 14.396724 BFGS: 191 16:20:17 1708.503750 14.375534 BFGS: 192 16:20:18 1706.238072 14.354362 BFGS: 193 16:20:18 1703.981141 14.333209 BFGS: 194 16:20:19 1701.732836 14.312076 BFGS: 195 16:20:19 1699.493037 14.290962 BFGS: 196 16:20:20 1697.261622 14.269868 BFGS: 197 16:20:20 1695.038469 14.248794 BFGS: 198 16:20:21 1692.823454 14.227740 BFGS: 199 16:20:22 1690.616452 14.206707 BFGS: 200 16:20:22 1688.417338 14.185695 BFGS: 201 16:20:23 1686.225989 14.164703 BFGS: 202 16:20:24 1684.042278 14.143732 BFGS: 203 16:20:24 1681.866082 14.122783 BFGS: 204 16:20:25 1679.697277 14.101855 BFGS: 205 16:20:25 1677.535738 14.080948 BFGS: 206 16:20:26 1675.381342 14.060063 BFGS: 207 16:20:26 1673.233967 14.039200 BFGS: 208 16:20:27 1671.093493 14.018359 BFGS: 209 16:20:27 1668.959798 13.997540 BFGS: 210 16:20:28 1666.832764 13.976743 BFGS: 211 16:20:29 1664.712272 13.955969 BFGS: 212 16:20:30 1662.598207 13.935217 BFGS: 213 16:20:30 1660.490454 13.914487 BFGS: 214 16:20:31 1658.388898 13.893780 BFGS: 215 16:20:31 1656.293405 13.873554 BFGS: 216 16:20:32 1654.203830 13.853505 BFGS: 217 16:20:32 1652.120069 13.833480 BFGS: 218 16:20:33 1650.042016 13.813477 BFGS: 219 16:20:34 1647.969564 13.793498 BFGS: 220 16:20:34 1645.902611 13.773542 BFGS: 221 16:20:35 1643.841054 13.753610 BFGS: 222 16:20:35 1641.784795 13.733701 BFGS: 223 16:20:36 1639.733735 13.713815 BFGS: 224 16:20:36 1637.687778 13.693953 BFGS: 225 16:20:36 1635.646831 13.674115 BFGS: 226 16:20:37 1633.610800 13.654300 BFGS: 227 16:20:37 1631.579597 13.634508 BFGS: 228 16:20:38 1629.553133 13.614740 BFGS: 229 16:20:39 1627.531322 13.594995 BFGS: 230 16:20:39 1625.514079 13.575274 BFGS: 231 16:20:40 1623.501322 13.555576 BFGS: 232 16:20:40 1621.492971 13.535902 BFGS: 233 16:20:40 1619.488947 13.516251 BFGS: 234 16:20:41 1617.489175 13.496623 BFGS: 235 16:20:41 1615.493579 13.477018 BFGS: 236 16:20:42 1613.502088 13.457437 BFGS: 237 16:20:43 1611.514629 13.437879 BFGS: 238 16:20:43 1609.531135 13.418343 BFGS: 239 16:20:44 1607.551538 13.398831 BFGS: 240 16:20:44 1605.575772 13.379342 BFGS: 241 16:20:45 1603.603776 13.359876 BFGS: 242 16:20:46 1601.635485 13.340432 BFGS: 243 16:20:46 1599.670842 13.321012 BFGS: 244 16:20:47 1597.709787 13.301614 BFGS: 245 16:20:47 1595.752264 13.282239 BFGS: 246 16:20:48 1593.798217 13.262887 BFGS: 247 16:20:49 1591.847594 13.243557 BFGS: 248 16:20:50 1589.900311 13.224778 BFGS: 249 16:20:51 1587.956498 13.206353 BFGS: 250 16:20:51 1586.016272 13.187950 BFGS: 251 16:20:52 1584.079569 13.169569 BFGS: 252 16:20:53 1582.146327 13.151210 BFGS: 253 16:20:54 1580.216486 13.132871 BFGS: 254 16:20:55 1578.289989 13.114553 BFGS: 255 16:20:55 1576.366781 13.096256 BFGS: 256 16:20:56 1574.446809 13.077980 BFGS: 257 16:20:56 1572.530021 13.059723 BFGS: 258 16:20:57 1570.616368 13.041486 BFGS: 259 16:20:58 1568.705802 13.023270 BFGS: 260 16:20:59 1566.798278 13.005073 BFGS: 261 16:20:59 1564.893751 12.986896 BFGS: 262 16:21:00 1562.992179 12.968738 BFGS: 263 16:21:01 1561.093521 12.950599 BFGS: 264 16:21:01 1559.197737 12.932480 BFGS: 265 16:21:02 1557.304790 12.914380 BFGS: 266 16:21:03 1555.414641 12.896300 BFGS: 267 16:21:04 1553.527257 12.878238 BFGS: 268 16:21:04 1551.642602 12.860195 BFGS: 269 16:21:05 1549.760644 12.842171 BFGS: 270 16:21:06 1547.881352 12.824166 BFGS: 271 16:21:06 1546.004695 12.806179 BFGS: 272 16:21:07 1544.130643 12.788211 BFGS: 273 16:21:08 1542.259169 12.770262 BFGS: 274 16:21:08 1540.390245 12.752331 BFGS: 275 16:21:09 1538.523845 12.734419 BFGS: 276 16:21:10 1536.659944 12.716525 BFGS: 277 16:21:10 1534.798517 12.698649 BFGS: 278 16:21:11 1532.939542 12.680792 BFGS: 279 16:21:11 1531.082996 12.662953 BFGS: 280 16:21:12 1529.228857 12.645132 BFGS: 281 16:21:12 1527.377106 12.627329 BFGS: 282 16:21:13 1525.527722 12.609544 BFGS: 283 16:21:13 1523.680685 12.591778 BFGS: 284 16:21:14 1521.835979 12.574029 BFGS: 285 16:21:14 1519.993585 12.556299 BFGS: 286 16:21:15 1518.153486 12.538586 BFGS: 287 16:21:15 1516.315666 12.520892 BFGS: 288 16:21:16 1514.480111 12.503215 BFGS: 289 16:21:17 1512.646805 12.485556 BFGS: 290 16:21:17 1510.815734 12.467914 BFGS: 291 16:21:18 1508.986884 12.450291 BFGS: 292 16:21:18 1507.160243 12.432685 BFGS: 293 16:21:19 1505.335798 12.415097 BFGS: 294 16:21:20 1503.513538 12.397527 BFGS: 295 16:21:21 1501.693451 12.379974 BFGS: 296 16:21:22 1499.875526 12.362439 BFGS: 297 16:21:23 1498.059753 12.344921 BFGS: 298 16:21:24 1496.246122 12.327421 BFGS: 299 16:21:25 1494.434625 12.309938 BFGS: 300 16:21:26 1492.625252 12.292473 BFGS: 301 16:21:27 1490.817995 12.275026 BFGS: 302 16:21:27 1489.012845 12.257595 BFGS: 303 16:21:28 1487.209796 12.240182 BFGS: 304 16:21:29 1485.408840 12.222787 BFGS: 305 16:21:29 1483.609971 12.205409 BFGS: 306 16:21:30 1481.813181 12.188048 BFGS: 307 16:21:30 1480.018466 12.170704 BFGS: 308 16:21:30 1478.225818 12.153378 BFGS: 309 16:21:31 1476.435233 12.136069 BFGS: 310 16:21:31 1474.646707 12.118777 BFGS: 311 16:21:31 1472.860233 12.101502 BFGS: 312 16:21:32 1471.075808 12.084245 BFGS: 313 16:21:32 1469.293427 12.067005 BFGS: 314 16:21:33 1467.513087 12.049781 BFGS: 315 16:21:33 1465.734784 12.032575 BFGS: 316 16:21:34 1463.958515 12.015386 BFGS: 317 16:21:34 1462.184276 11.998214 BFGS: 318 16:21:35 1460.412065 11.981059 BFGS: 319 16:21:35 1458.641874 11.964131 BFGS: 320 16:21:35 1456.873568 11.947794 BFGS: 321 16:21:36 1455.107022 11.931470 BFGS: 322 16:21:36 1453.342244 11.915158 BFGS: 323 16:21:37 1451.579243 11.898859 BFGS: 324 16:21:37 1449.818025 11.882572 BFGS: 325 16:21:38 1448.058599 11.866299 BFGS: 326 16:21:39 1446.300972 11.850039 BFGS: 327 16:21:39 1444.545150 11.833792 BFGS: 328 16:21:40 1442.791140 11.817557 BFGS: 329 16:21:40 1441.038949 11.801337 BFGS: 330 16:21:41 1439.288582 11.785129 BFGS: 331 16:21:42 1437.540046 11.768935 BFGS: 332 16:21:42 1435.793346 11.752754 BFGS: 333 16:21:43 1434.048487 11.736586 BFGS: 334 16:21:44 1432.305476 11.720432 BFGS: 335 16:21:44 1430.564317 11.704292 BFGS: 336 16:21:45 1428.825015 11.688165 BFGS: 337 16:21:45 1427.087576 11.672052 BFGS: 338 16:21:46 1425.352004 11.655952 BFGS: 339 16:21:47 1423.618304 11.639866 BFGS: 340 16:21:47 1421.886480 11.623793 BFGS: 341 16:21:48 1420.156538 11.607735 BFGS: 342 16:21:49 1418.428482 11.591690 BFGS: 343 16:21:50 1416.702316 11.575658 BFGS: 344 16:21:51 1414.978044 11.559641 BFGS: 345 16:21:51 1413.255671 11.543637 BFGS: 346 16:21:51 1411.535201 11.527647 BFGS: 347 16:21:52 1409.816638 11.511671 BFGS: 348 16:21:52 1408.099985 11.495709 BFGS: 349 16:21:53 1406.385248 11.479761 BFGS: 350 16:21:53 1404.672429 11.463827 BFGS: 351 16:21:54 1402.961533 11.447907 BFGS: 352 16:21:55 1401.252563 11.432000 BFGS: 353 16:21:55 1399.545524 11.416108 BFGS: 354 16:21:56 1397.840418 11.400230 BFGS: 355 16:21:57 1396.137249 11.384365 BFGS: 356 16:21:58 1394.436022 11.368515 BFGS: 357 16:21:59 1392.736739 11.352679 BFGS: 358 16:21:59 1391.039403 11.336857 BFGS: 359 16:22:00 1389.344019 11.321048 BFGS: 360 16:22:00 1387.650590 11.305254 BFGS: 361 16:22:01 1385.959118 11.289474 BFGS: 362 16:22:01 1384.269608 11.273709 BFGS: 363 16:22:02 1382.582061 11.257957 BFGS: 364 16:22:02 1380.896483 11.242219 BFGS: 365 16:22:03 1379.212874 11.226496 BFGS: 366 16:22:03 1377.531240 11.210787 BFGS: 367 16:22:04 1375.851581 11.195092 BFGS: 368 16:22:04 1374.173902 11.179411 BFGS: 369 16:22:05 1372.498206 11.163744 BFGS: 370 16:22:05 1370.824495 11.148091 BFGS: 371 16:22:06 1369.152771 11.132453 BFGS: 372 16:22:06 1367.483039 11.116829 BFGS: 373 16:22:07 1365.815300 11.101219 BFGS: 374 16:22:07 1364.149557 11.085624 BFGS: 375 16:22:08 1362.485812 11.070042 BFGS: 376 16:22:09 1360.824069 11.054475 BFGS: 377 16:22:09 1359.164330 11.038922 BFGS: 378 16:22:10 1357.506596 11.023384 BFGS: 379 16:22:10 1355.850872 11.007859 BFGS: 380 16:22:11 1354.197158 10.992349 BFGS: 381 16:22:11 1352.545458 10.976853 BFGS: 382 16:22:12 1350.895774 10.961372 BFGS: 383 16:22:12 1349.248107 10.945905 BFGS: 384 16:22:13 1347.602460 10.930452 BFGS: 385 16:22:13 1345.958836 10.915013 BFGS: 386 16:22:14 1344.317236 10.899589 BFGS: 387 16:22:14 1342.677662 10.884178 BFGS: 388 16:22:15 1341.040117 10.868783 BFGS: 389 16:22:15 1339.404602 10.853401 BFGS: 390 16:22:16 1337.771120 10.838034 BFGS: 391 16:22:16 1336.139672 10.822681 BFGS: 392 16:22:17 1334.510259 10.807343 BFGS: 393 16:22:17 1332.882868 10.792285 BFGS: 394 16:22:17 1331.257523 10.777277 BFGS: 395 16:22:18 1329.634233 10.762282 BFGS: 396 16:22:19 1328.012999 10.747302 BFGS: 397 16:22:19 1326.393824 10.732336 BFGS: 398 16:22:20 1324.776706 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9.054544 0.156298 BFGS: 4668 17:07:59 9.035227 0.156254 BFGS: 4669 17:08:00 9.015931 0.156211 BFGS: 4670 17:08:00 8.996655 0.156167 BFGS: 4671 17:08:01 8.977399 0.156122 BFGS: 4672 17:08:01 8.958163 0.156078 BFGS: 4673 17:08:01 8.938948 0.156033 BFGS: 4674 17:08:02 8.919752 0.155988 BFGS: 4675 17:08:02 8.900577 0.155943 BFGS: 4676 17:08:03 8.881422 0.155897 BFGS: 4677 17:08:03 8.862287 0.155852 BFGS: 4678 17:08:03 8.843172 0.155806 BFGS: 4679 17:08:04 8.824077 0.155760 BFGS: 4680 17:08:04 8.805003 0.155714 BFGS: 4681 17:08:05 8.785949 0.155667 BFGS: 4682 17:08:05 8.766915 0.155621 BFGS: 4683 17:08:05 8.747901 0.155574 BFGS: 4684 17:08:06 8.728907 0.155527 BFGS: 4685 17:08:06 8.709933 0.155479 BFGS: 4686 17:08:07 8.690980 0.155432 BFGS: 4687 17:08:07 8.672047 0.155384 BFGS: 4688 17:08:08 8.653133 0.155336 BFGS: 4689 17:08:08 8.634240 0.155288 BFGS: 4690 17:08:09 8.615368 0.155239 BFGS: 4691 17:08:09 8.596515 0.155190 BFGS: 4692 17:08:09 8.577683 0.155142 BFGS: 4693 17:08:10 8.558871 0.155093 BFGS: 4694 17:08:10 8.540078 0.155043 BFGS: 4695 17:08:11 8.521307 0.154994 BFGS: 4696 17:08:11 8.502555 0.154944 BFGS: 4697 17:08:12 8.483823 0.154894 BFGS: 4698 17:08:12 8.465112 0.154844 BFGS: 4699 17:08:12 8.446421 0.154793 BFGS: 4700 17:08:13 8.427750 0.154743 BFGS: 4701 17:08:13 8.409099 0.154692 BFGS: 4702 17:08:14 8.390468 0.154641 BFGS: 4703 17:08:14 8.371858 0.154590 BFGS: 4704 17:08:14 8.353267 0.154538 BFGS: 4705 17:08:15 8.334697 0.154487 BFGS: 4706 17:08:15 8.316147 0.154435 BFGS: 4707 17:08:16 8.297618 0.154382 BFGS: 4708 17:08:16 8.279108 0.154330 BFGS: 4709 17:08:17 8.260619 0.154278 BFGS: 4710 17:08:17 8.242149 0.154225 BFGS: 4711 17:08:17 8.223700 0.154172 BFGS: 4712 17:08:18 8.205271 0.154119 BFGS: 4713 17:08:18 8.186863 0.154065 BFGS: 4714 17:08:19 8.168474 0.154012 BFGS: 4715 17:08:19 8.150106 0.153958 BFGS: 4716 17:08:20 8.131758 0.153904 BFGS: 4717 17:08:20 8.113430 0.153849 BFGS: 4718 17:08:21 8.095122 0.153795 BFGS: 4719 17:08:21 8.076835 0.153740 BFGS: 4720 17:08:21 8.058567 0.153685 BFGS: 4721 17:08:22 8.040320 0.153630 BFGS: 4722 17:08:22 8.022093 0.153575 BFGS: 4723 17:08:23 8.003886 0.153519 BFGS: 4724 17:08:23 7.985700 0.153463 BFGS: 4725 17:08:24 7.967533 0.153407 BFGS: 4726 17:08:24 7.949387 0.153351 BFGS: 4727 17:08:25 7.931261 0.153295 BFGS: 4728 17:08:25 7.913155 0.153238 BFGS: 4729 17:08:25 7.895070 0.153181 BFGS: 4730 17:08:26 7.877004 0.153124 BFGS: 4731 17:08:27 7.858959 0.153067 BFGS: 4732 17:08:27 7.840934 0.153009 BFGS: 4733 17:08:28 7.822929 0.152951 BFGS: 4734 17:08:28 7.804944 0.152893 BFGS: 4735 17:08:28 7.786980 0.152835 BFGS: 4736 17:08:29 7.769036 0.152777 BFGS: 4737 17:08:29 7.751112 0.152718 BFGS: 4738 17:08:30 7.733208 0.152659 BFGS: 4739 17:08:30 7.715324 0.152600 BFGS: 4740 17:08:30 7.697461 0.152541 BFGS: 4741 17:08:31 7.679618 0.152482 BFGS: 4742 17:08:31 7.661795 0.152422 BFGS: 4743 17:08:32 7.643992 0.152362 BFGS: 4744 17:08:32 7.626210 0.152302 BFGS: 4745 17:08:33 7.608447 0.152242 BFGS: 4746 17:08:33 7.590705 0.152181 BFGS: 4747 17:08:34 7.572983 0.152120 BFGS: 4748 17:08:34 7.555282 0.152060 BFGS: 4749 17:08:34 7.537600 0.151998 BFGS: 4750 17:08:35 7.519939 0.151937 BFGS: 4751 17:08:35 7.502298 0.151875 BFGS: 4752 17:08:35 7.484677 0.151814 BFGS: 4753 17:08:36 7.467076 0.151751 BFGS: 4754 17:08:36 7.449496 0.151689 BFGS: 4755 17:08:36 7.431936 0.151627 BFGS: 4756 17:08:37 7.414396 0.151564 BFGS: 4757 17:08:37 7.396876 0.151501 BFGS: 4758 17:08:37 7.379377 0.151438 BFGS: 4759 17:08:38 7.361898 0.151375 BFGS: 4760 17:08:38 7.344439 0.151311 BFGS: 4761 17:08:39 7.327000 0.151247 BFGS: 4762 17:08:39 7.309581 0.151183 BFGS: 4763 17:08:40 7.292183 0.151119 BFGS: 4764 17:08:40 7.274805 0.151055 BFGS: 4765 17:08:41 7.257447 0.150990 BFGS: 4766 17:08:41 7.240110 0.150925 BFGS: 4767 17:08:42 7.222792 0.150860 BFGS: 4768 17:08:42 7.205495 0.150795 BFGS: 4769 17:08:42 7.188218 0.150730 BFGS: 4770 17:08:43 7.170962 0.150664 BFGS: 4771 17:08:44 7.153725 0.150598 BFGS: 4772 17:08:44 7.136509 0.150532 BFGS: 4773 17:08:45 7.119314 0.150466 BFGS: 4774 17:08:46 7.102138 0.150399 BFGS: 4775 17:08:46 7.084983 0.150332 BFGS: 4776 17:08:46 7.067847 0.150265 BFGS: 4777 17:08:47 7.050733 0.150198 BFGS: 4778 17:08:47 7.033638 0.150131 BFGS: 4779 17:08:48 7.016564 0.150063 BFGS: 4780 17:08:48 6.999510 0.149995 BFGS: 4781 17:08:48 6.982476 0.149927 BFGS: 4782 17:08:49 6.965462 0.149859 BFGS: 4783 17:08:49 6.948469 0.149791 BFGS: 4784 17:08:49 6.931496 0.149722 BFGS: 4785 17:08:50 6.914543 0.149653 BFGS: 4786 17:08:50 6.897611 0.149584 BFGS: 4787 17:08:50 6.880698 0.149515 BFGS: 4788 17:08:51 6.863806 0.149445 BFGS: 4789 17:08:51 6.846935 0.149375 BFGS: 4790 17:08:52 6.830083 0.149305 BFGS: 4791 17:08:52 6.813252 0.149235 BFGS: 4792 17:08:52 6.796441 0.149165 BFGS: 4793 17:08:52 6.779651 0.149094 BFGS: 4794 17:08:53 6.762881 0.149024 BFGS: 4795 17:08:53 6.746131 0.148952 BFGS: 4796 17:08:53 6.729401 0.148881 BFGS: 4797 17:08:53 6.712691 0.148810 BFGS: 4798 17:08:54 6.696002 0.148738 BFGS: 4799 17:08:55 6.679333 0.148666 BFGS: 4800 17:08:55 6.662685 0.148594 BFGS: 4801 17:08:56 6.646056 0.148522 BFGS: 4802 17:08:56 6.629448 0.148449 BFGS: 4803 17:08:57 6.612861 0.148377 BFGS: 4804 17:08:57 6.596293 0.148304 BFGS: 4805 17:08:57 6.579746 0.148230 BFGS: 4806 17:08:58 6.563219 0.148157 BFGS: 4807 17:08:58 6.546713 0.148084 BFGS: 4808 17:08:59 6.530227 0.148010 BFGS: 4809 17:08:59 6.513761 0.147936 BFGS: 4810 17:09:00 6.497315 0.147861 BFGS: 4811 17:09:00 6.480890 0.147787 BFGS: 4812 17:09:00 6.464485 0.147712 BFGS: 4813 17:09:01 6.448100 0.147638 BFGS: 4814 17:09:01 6.431736 0.147562 BFGS: 4815 17:09:02 6.415392 0.147487 BFGS: 4816 17:09:02 6.399068 0.147412 BFGS: 4817 17:09:03 6.382765 0.147336 BFGS: 4818 17:09:03 6.366482 0.147260 BFGS: 4819 17:09:04 6.350219 0.147184 BFGS: 4820 17:09:04 6.333977 0.147107 BFGS: 4821 17:09:04 6.317755 0.147031 BFGS: 4822 17:09:05 6.301553 0.146954 BFGS: 4823 17:09:05 6.285371 0.146877 BFGS: 4824 17:09:05 6.269210 0.146800 BFGS: 4825 17:09:06 6.253069 0.146723 BFGS: 4826 17:09:06 6.236949 0.146645 BFGS: 4827 17:09:07 6.220849 0.146567 BFGS: 4828 17:09:07 6.204769 0.146489 BFGS: 4829 17:09:08 6.188710 0.146411 BFGS: 4830 17:09:08 6.172671 0.146332 BFGS: 4831 17:09:09 6.156652 0.146253 BFGS: 4832 17:09:09 6.140653 0.146175 BFGS: 4833 17:09:10 6.124675 0.146095 BFGS: 4834 17:09:10 6.108718 0.146016 BFGS: 4835 17:09:11 6.092780 0.145937 BFGS: 4836 17:09:11 6.076863 0.145857 BFGS: 4837 17:09:12 6.060967 0.145777 BFGS: 4838 17:09:12 6.045090 0.145697 BFGS: 4839 17:09:12 6.029234 0.145616 BFGS: 4840 17:09:13 6.013399 0.145536 BFGS: 4841 17:09:14 5.997584 0.145455 BFGS: 4842 17:09:14 5.981789 0.145374 BFGS: 4843 17:09:14 5.966014 0.145292 BFGS: 4844 17:09:15 5.950260 0.145211 BFGS: 4845 17:09:15 5.934526 0.145129 BFGS: 4846 17:09:16 5.918813 0.145047 BFGS: 4847 17:09:16 5.903120 0.144965 BFGS: 4848 17:09:16 5.887447 0.144883 BFGS: 4849 17:09:17 5.871795 0.144800 BFGS: 4850 17:09:17 5.856163 0.144718 BFGS: 4851 17:09:18 5.840552 0.144635 BFGS: 4852 17:09:18 5.824961 0.144552 BFGS: 4853 17:09:18 5.809390 0.144468 BFGS: 4854 17:09:19 5.793840 0.144385 BFGS: 4855 17:09:19 5.778310 0.144301 BFGS: 4856 17:09:20 5.762800 0.144217 BFGS: 4857 17:09:20 5.747311 0.144133 BFGS: 4858 17:09:21 5.731842 0.144048 BFGS: 4859 17:09:21 5.716394 0.143963 BFGS: 4860 17:09:22 5.700966 0.143879 BFGS: 4861 17:09:23 5.685559 0.143793 BFGS: 4862 17:09:23 5.670171 0.143708 BFGS: 4863 17:09:24 5.654805 0.143623 BFGS: 4864 17:09:24 5.639458 0.143537 BFGS: 4865 17:09:25 5.624132 0.143451 BFGS: 4866 17:09:25 5.608827 0.143365 BFGS: 4867 17:09:26 5.593542 0.143278 BFGS: 4868 17:09:26 5.578277 0.143192 BFGS: 4869 17:09:27 5.563033 0.143105 BFGS: 4870 17:09:27 5.547809 0.143018 BFGS: 4871 17:09:28 5.532606 0.142931 BFGS: 4872 17:09:28 5.517423 0.142843 BFGS: 4873 17:09:29 5.502260 0.142756 BFGS: 4874 17:09:29 5.487118 0.142668 BFGS: 4875 17:09:30 5.471996 0.142580 BFGS: 4876 17:09:30 5.456895 0.142492 BFGS: 4877 17:09:31 5.441814 0.142403 BFGS: 4878 17:09:31 5.426754 0.142314 BFGS: 4879 17:09:32 5.411714 0.142225 BFGS: 4880 17:09:32 5.396694 0.142136 BFGS: 4881 17:09:32 5.381695 0.142047 BFGS: 4882 17:09:33 5.366716 0.141957 BFGS: 4883 17:09:33 5.351758 0.141868 BFGS: 4884 17:09:34 5.336820 0.141778 BFGS: 4885 17:09:34 5.321903 0.141687 BFGS: 4886 17:09:34 5.307006 0.141597 BFGS: 4887 17:09:35 5.292130 0.141506 BFGS: 4888 17:09:35 5.277274 0.141416 BFGS: 4889 17:09:35 5.262438 0.141325 BFGS: 4890 17:09:36 5.247623 0.141233 BFGS: 4891 17:09:36 5.232829 0.141142 BFGS: 4892 17:09:36 5.218055 0.141050 BFGS: 4893 17:09:37 5.203301 0.140958 BFGS: 4894 17:09:37 5.188568 0.140866 BFGS: 4895 17:09:37 5.173855 0.140774 BFGS: 4896 17:09:38 5.159163 0.140681 BFGS: 4897 17:09:39 5.144491 0.140588 BFGS: 4898 17:09:39 5.129840 0.140495 BFGS: 4899 17:09:40 5.115209 0.140402 BFGS: 4900 17:09:40 5.100599 0.140309 BFGS: 4901 17:09:41 5.086009 0.140215 BFGS: 4902 17:09:41 5.071440 0.140121 BFGS: 4903 17:09:42 5.056891 0.140027 BFGS: 4904 17:09:42 5.042363 0.139933 BFGS: 4905 17:09:43 5.027855 0.139839 BFGS: 4906 17:09:43 5.013368 0.139744 BFGS: 4907 17:09:44 4.998901 0.139649 BFGS: 4908 17:09:44 4.984454 0.139554 BFGS: 4909 17:09:45 4.970029 0.139459 BFGS: 4910 17:09:46 4.955623 0.139363 BFGS: 4911 17:09:46 4.941238 0.139267 BFGS: 4912 17:09:47 4.926874 0.139172 BFGS: 4913 17:09:47 4.912530 0.139075 BFGS: 4914 17:09:47 4.898207 0.138979 BFGS: 4915 17:09:48 4.883904 0.138882 BFGS: 4916 17:09:48 4.869622 0.138786 BFGS: 4917 17:09:49 4.855360 0.138689 BFGS: 4918 17:09:49 4.841119 0.138591 BFGS: 4919 17:09:49 4.826898 0.138494 BFGS: 4920 17:09:50 4.812698 0.138396 BFGS: 4921 17:09:50 4.798518 0.138298 BFGS: 4922 17:09:50 4.784359 0.138200 BFGS: 4923 17:09:50 4.770221 0.138102 BFGS: 4924 17:09:51 4.756103 0.138003 BFGS: 4925 17:09:51 4.742005 0.137905 BFGS: 4926 17:09:52 4.727928 0.137806 BFGS: 4927 17:09:52 4.713872 0.137707 BFGS: 4928 17:09:53 4.699836 0.137607 BFGS: 4929 17:09:53 4.685820 0.137508 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17:10:05 4.315180 0.134738 BFGS: 4957 17:10:05 4.301741 0.134632 BFGS: 4958 17:10:06 4.288323 0.134527 BFGS: 4959 17:10:06 4.274925 0.134421 BFGS: 4960 17:10:07 4.261547 0.134314 BFGS: 4961 17:10:07 4.248191 0.134208 BFGS: 4962 17:10:08 4.234855 0.134101 BFGS: 4963 17:10:08 4.221539 0.133994 BFGS: 4964 17:10:08 4.208244 0.133887 BFGS: 4965 17:10:09 4.194970 0.133780 BFGS: 4966 17:10:09 4.181716 0.133672 BFGS: 4967 17:10:10 4.168484 0.133565 BFGS: 4968 17:10:10 4.155271 0.133457 BFGS: 4969 17:10:11 4.142080 0.133349 BFGS: 4970 17:10:11 4.128908 0.133240 BFGS: 4971 17:10:11 4.115758 0.133132 BFGS: 4972 17:10:12 4.102628 0.133023 BFGS: 4973 17:10:13 4.089519 0.132914 BFGS: 4974 17:10:13 4.076431 0.132805 BFGS: 4975 17:10:14 4.063363 0.132695 BFGS: 4976 17:10:14 4.050316 0.132586 BFGS: 4977 17:10:15 4.037289 0.132476 BFGS: 4978 17:10:15 4.024283 0.132366 BFGS: 4979 17:10:16 4.011298 0.132255 BFGS: 4980 17:10:16 3.998333 0.132145 BFGS: 4981 17:10:17 3.985390 0.132034 BFGS: 4982 17:10:17 3.972466 0.131923 BFGS: 4983 17:10:17 3.959564 0.131812 BFGS: 4984 17:10:18 3.946682 0.131700 BFGS: 4985 17:10:18 3.933821 0.131589 BFGS: 4986 17:10:19 3.920980 0.131477 BFGS: 4987 17:10:19 3.908160 0.131365 BFGS: 4988 17:10:19 3.895361 0.131253 BFGS: 4989 17:10:20 3.882582 0.131140 BFGS: 4990 17:10:20 3.869825 0.131028 BFGS: 4991 17:10:21 3.857087 0.130915 BFGS: 4992 17:10:21 3.844371 0.130802 BFGS: 4993 17:10:22 3.831675 0.130688 BFGS: 4994 17:10:22 3.819000 0.130575 BFGS: 4995 17:10:23 3.806346 0.130461 BFGS: 4996 17:10:23 3.793712 0.130347 BFGS: 4997 17:10:24 3.781099 0.130233 BFGS: 4998 17:10:24 3.768507 0.130118 BFGS: 4999 17:10:25 3.755935 0.130004 BFGS: 5000 17:10:25 3.743384 0.129889 BFGS: 5001 17:10:26 3.730854 0.129774 BFGS: 5002 17:10:26 3.718345 0.129659 BFGS: 5003 17:10:27 3.705856 0.129543 BFGS: 5004 17:10:27 3.693388 0.129427 BFGS: 5005 17:10:27 3.680940 0.129311 BFGS: 5006 17:10:28 3.668514 0.129195 BFGS: 5007 17:10:28 3.656108 0.129079 BFGS: 5008 17:10:29 3.643723 0.128962 BFGS: 5009 17:10:29 3.631358 0.128846 BFGS: 5010 17:10:30 3.619014 0.128729 BFGS: 5011 17:10:30 3.606691 0.128611 BFGS: 5012 17:10:30 3.594389 0.128494 BFGS: 5013 17:10:31 3.582108 0.128376 BFGS: 5014 17:10:31 3.569847 0.128258 BFGS: 5015 17:10:32 3.557607 0.128140 BFGS: 5016 17:10:32 3.545387 0.128022 BFGS: 5017 17:10:33 3.533189 0.127903 BFGS: 5018 17:10:33 3.521011 0.127785 BFGS: 5019 17:10:34 3.508854 0.127666 BFGS: 5020 17:10:34 3.496718 0.127547 BFGS: 5021 17:10:34 3.484602 0.127427 BFGS: 5022 17:10:34 3.472507 0.127308 BFGS: 5023 17:10:35 3.460433 0.127188 BFGS: 5024 17:10:35 3.448380 0.127068 BFGS: 5025 17:10:35 3.436347 0.126947 BFGS: 5026 17:10:36 3.424335 0.126827 BFGS: 5027 17:10:36 3.412344 0.126706 BFGS: 5028 17:10:37 3.400374 0.126585 BFGS: 5029 17:10:37 3.388424 0.126464 BFGS: 5030 17:10:37 3.376496 0.126343 BFGS: 5031 17:10:38 3.364588 0.126221 BFGS: 5032 17:10:38 3.352701 0.126099 BFGS: 5033 17:10:38 3.340834 0.125977 BFGS: 5034 17:10:39 3.328988 0.125855 BFGS: 5035 17:10:39 3.317164 0.125733 BFGS: 5036 17:10:40 3.305360 0.125610 BFGS: 5037 17:10:40 3.293576 0.125487 BFGS: 5038 17:10:40 3.281814 0.125364 BFGS: 5039 17:10:41 3.270072 0.125241 BFGS: 5040 17:10:41 3.258351 0.125117 BFGS: 5041 17:10:42 3.246651 0.124993 BFGS: 5042 17:10:42 3.234972 0.124869 BFGS: 5043 17:10:42 3.223313 0.124745 BFGS: 5044 17:10:42 3.211675 0.124621 BFGS: 5045 17:10:43 3.200059 0.124496 BFGS: 5046 17:10:43 3.188462 0.124371 BFGS: 5047 17:10:43 3.176887 0.124246 BFGS: 5048 17:10:44 3.165333 0.124121 BFGS: 5049 17:10:44 3.153799 0.123995 BFGS: 5050 17:10:44 3.142286 0.123870 BFGS: 5051 17:10:45 3.130794 0.123744 BFGS: 5052 17:10:45 3.119323 0.123618 BFGS: 5053 17:10:46 3.107872 0.123491 BFGS: 5054 17:10:46 3.096443 0.123365 BFGS: 5055 17:10:46 3.085034 0.123238 BFGS: 5056 17:10:47 3.073646 0.123111 BFGS: 5057 17:10:47 3.062279 0.122983 BFGS: 5058 17:10:47 3.050933 0.122856 BFGS: 5059 17:10:48 3.039607 0.122728 BFGS: 5060 17:10:48 3.028302 0.122600 BFGS: 5061 17:10:49 3.017019 0.122472 BFGS: 5062 17:10:49 3.005756 0.122344 BFGS: 5063 17:10:50 2.994514 0.122215 BFGS: 5064 17:10:50 2.983292 0.122086 BFGS: 5065 17:10:50 2.972092 0.121957 BFGS: 5066 17:10:51 2.960912 0.121828 BFGS: 5067 17:10:51 2.949754 0.121699 BFGS: 5068 17:10:51 2.938616 0.121569 BFGS: 5069 17:10:52 2.927499 0.121439 BFGS: 5070 17:10:52 2.916403 0.121309 BFGS: 5071 17:10:52 2.905327 0.121178 BFGS: 5072 17:10:53 2.894273 0.121048 BFGS: 5073 17:10:53 2.883239 0.120917 BFGS: 5074 17:10:53 2.872227 0.120786 BFGS: 5075 17:10:54 2.861235 0.120655 BFGS: 5076 17:10:54 2.850264 0.120523 BFGS: 5077 17:10:54 2.839314 0.120392 BFGS: 5078 17:10:55 2.828385 0.120260 BFGS: 5079 17:10:55 2.817476 0.120128 BFGS: 5080 17:10:56 2.806589 0.119995 BFGS: 5081 17:10:56 2.795722 0.119863 BFGS: 5082 17:10:56 2.784876 0.119730 BFGS: 5083 17:10:57 2.774052 0.119597 BFGS: 5084 17:10:57 2.763248 0.119464 BFGS: 5085 17:10:58 2.752465 0.119330 BFGS: 5086 17:10:58 2.741702 0.119196 BFGS: 5087 17:10:58 2.730961 0.119063 BFGS: 5088 17:10:59 2.720241 0.118928 BFGS: 5089 17:10:59 2.709541 0.118794 BFGS: 5090 17:11:00 2.698863 0.118659 BFGS: 5091 17:11:00 2.688205 0.118525 BFGS: 5092 17:11:00 2.677568 0.118390 BFGS: 5093 17:11:01 2.666952 0.118254 BFGS: 5094 17:11:01 2.656357 0.118119 BFGS: 5095 17:11:02 2.645783 0.117983 BFGS: 5096 17:11:02 2.635230 0.117847 BFGS: 5097 17:11:02 2.624698 0.117711 BFGS: 5098 17:11:03 2.614186 0.117575 BFGS: 5099 17:11:03 2.603696 0.117438 BFGS: 5100 17:11:04 2.593227 0.117301 BFGS: 5101 17:11:04 2.582778 0.117164 BFGS: 5102 17:11:05 2.572350 0.117027 BFGS: 5103 17:11:05 2.561944 0.116890 BFGS: 5104 17:11:05 2.551558 0.116752 BFGS: 5105 17:11:06 2.541193 0.116614 BFGS: 5106 17:11:06 2.530849 0.116476 BFGS: 5107 17:11:06 2.520526 0.116337 BFGS: 5108 17:11:07 2.510224 0.116199 BFGS: 5109 17:11:07 2.499943 0.116060 BFGS: 5110 17:11:08 2.489682 0.115921 BFGS: 5111 17:11:08 2.479443 0.115782 BFGS: 5112 17:11:09 2.469225 0.115642 BFGS: 5113 17:11:09 2.459027 0.115502 BFGS: 5114 17:11:10 2.448851 0.115363 BFGS: 5115 17:11:10 2.438695 0.115222 BFGS: 5116 17:11:11 2.428561 0.115082 BFGS: 5117 17:11:11 2.418447 0.114941 BFGS: 5118 17:11:12 2.408355 0.114800 BFGS: 5119 17:11:12 2.398283 0.114659 BFGS: 5120 17:11:12 2.388232 0.114518 BFGS: 5121 17:11:12 2.378202 0.114377 BFGS: 5122 17:11:13 2.368194 0.114235 BFGS: 5123 17:11:13 2.358206 0.114093 BFGS: 5124 17:11:13 2.348239 0.113951 BFGS: 5125 17:11:13 2.338293 0.113808 BFGS: 5126 17:11:14 2.328368 0.113666 BFGS: 5127 17:11:14 2.318464 0.113523 BFGS: 5128 17:11:14 2.308581 0.113380 BFGS: 5129 17:11:15 2.298719 0.113236 BFGS: 5130 17:11:15 2.288878 0.113093 BFGS: 5131 17:11:16 2.279058 0.112949 BFGS: 5132 17:11:16 2.269259 0.112805 BFGS: 5133 17:11:17 2.259480 0.112661 BFGS: 5134 17:11:17 2.249723 0.112516 BFGS: 5135 17:11:17 2.239987 0.112371 BFGS: 5136 17:11:18 2.230272 0.112226 BFGS: 5137 17:11:18 2.220578 0.112081 BFGS: 5138 17:11:18 2.210905 0.111936 BFGS: 5139 17:11:19 2.201252 0.111790 BFGS: 5140 17:11:19 2.191621 0.111644 BFGS: 5141 17:11:20 2.182011 0.111498 BFGS: 5142 17:11:20 2.172422 0.111352 BFGS: 5143 17:11:20 2.162853 0.111205 BFGS: 5144 17:11:21 2.153306 0.111059 BFGS: 5145 17:11:21 2.143780 0.110912 BFGS: 5146 17:11:22 2.134275 0.110765 BFGS: 5147 17:11:22 2.124791 0.110617 BFGS: 5148 17:11:23 2.115327 0.110469 BFGS: 5149 17:11:24 2.105885 0.110321 BFGS: 5150 17:11:24 2.096464 0.110173 BFGS: 5151 17:11:24 2.087064 0.110025 BFGS: 5152 17:11:24 2.077685 0.109876 BFGS: 5153 17:11:25 2.068327 0.109728 BFGS: 5154 17:11:25 2.058990 0.109579 BFGS: 5155 17:11:25 2.049674 0.109429 BFGS: 5156 17:11:26 2.040379 0.109280 BFGS: 5157 17:11:26 2.031105 0.109130 BFGS: 5158 17:11:27 2.021852 0.108980 BFGS: 5159 17:11:27 2.012620 0.108830 BFGS: 5160 17:11:28 2.003409 0.108679 BFGS: 5161 17:11:28 1.994219 0.108529 BFGS: 5162 17:11:28 1.985050 0.108378 BFGS: 5163 17:11:29 1.975902 0.108227 BFGS: 5164 17:11:29 1.966775 0.108075 BFGS: 5165 17:11:29 1.957669 0.107924 BFGS: 5166 17:11:30 1.948585 0.107772 BFGS: 5167 17:11:30 1.939521 0.107620 BFGS: 5168 17:11:31 1.930478 0.107468 BFGS: 5169 17:11:31 1.921457 0.107315 BFGS: 5170 17:11:32 1.912456 0.107162 BFGS: 5171 17:11:32 1.903477 0.107009 BFGS: 5172 17:11:33 1.894518 0.106856 BFGS: 5173 17:11:33 1.885581 0.106703 BFGS: 5174 17:11:33 1.876665 0.106549 BFGS: 5175 17:11:34 1.867769 0.106395 BFGS: 5176 17:11:34 1.858895 0.106241 BFGS: 5177 17:11:34 1.850042 0.106086 BFGS: 5178 17:11:35 1.841210 0.105932 BFGS: 5179 17:11:35 1.832399 0.105777 BFGS: 5180 17:11:36 1.823609 0.105622 BFGS: 5181 17:11:36 1.814840 0.105467 BFGS: 5182 17:11:37 1.806092 0.105311 BFGS: 5183 17:11:37 1.797365 0.105155 BFGS: 5184 17:11:37 1.788660 0.104999 BFGS: 5185 17:11:38 1.779975 0.104843 BFGS: 5186 17:11:38 1.771311 0.104686 BFGS: 5187 17:11:38 1.762669 0.104530 BFGS: 5188 17:11:38 1.754048 0.104373 BFGS: 5189 17:11:39 1.745447 0.104216 BFGS: 5190 17:11:39 1.736868 0.104058 BFGS: 5191 17:11:39 1.728310 0.103900 BFGS: 5192 17:11:40 1.719773 0.103743 BFGS: 5193 17:11:40 1.711257 0.103584 BFGS: 5194 17:11:41 1.702762 0.103426 BFGS: 5195 17:11:41 1.694288 0.103267 BFGS: 5196 17:11:42 1.685835 0.103109 BFGS: 5197 17:11:42 1.677404 0.102949 BFGS: 5198 17:11:43 1.668993 0.102790 BFGS: 5199 17:11:43 1.660604 0.102631 BFGS: 5200 17:11:43 1.652235 0.102471 BFGS: 5201 17:11:44 1.643888 0.102311 BFGS: 5202 17:11:44 1.635562 0.102150 BFGS: 5203 17:11:45 1.627257 0.101990 BFGS: 5204 17:11:45 1.618973 0.101829 BFGS: 5205 17:11:46 1.610710 0.101668 BFGS: 5206 17:11:46 1.602469 0.101507 BFGS: 5207 17:11:47 1.594248 0.101346 BFGS: 5208 17:11:47 1.586048 0.101184 BFGS: 5209 17:11:48 1.577870 0.101022 BFGS: 5210 17:11:48 1.569713 0.100860 BFGS: 5211 17:11:49 1.561577 0.100697 BFGS: 5212 17:11:49 1.553461 0.100535 BFGS: 5213 17:11:50 1.545368 0.100372 BFGS: 5214 17:11:50 1.537295 0.100209 BFGS: 5215 17:11:51 1.529243 0.100045 BFGS: 5216 17:11:52 1.521212 0.099882 BFGS: 5217 17:11:52 1.513203 0.099718 BFGS: 5218 17:11:52 1.505215 0.099554 BFGS: 5219 17:11:53 1.497247 0.099389 BFGS: 5220 17:11:53 1.489301 0.099225 BFGS: 5221 17:11:54 1.481376 0.099060 BFGS: 5222 17:11:54 1.473472 0.098895 BFGS: 5223 17:11:55 1.465590 0.098730 BFGS: 5224 17:11:55 1.457728 0.098564 BFGS: 5225 17:11:56 1.449888 0.098398 BFGS: 5226 17:11:56 1.442068 0.098232 BFGS: 5227 17:11:57 1.434270 0.098066 BFGS: 5228 17:11:57 1.426493 0.097899 BFGS: 5229 17:11:58 1.418737 0.097733 BFGS: 5230 17:11:58 1.411003 0.097566 BFGS: 5231 17:11:59 1.403289 0.097398 BFGS: 5232 17:11:59 1.395597 0.097231 BFGS: 5233 17:11:59 1.387925 0.097063 BFGS: 5234 17:12:00 1.380275 0.096895 BFGS: 5235 17:12:00 1.372646 0.096727 BFGS: 5236 17:12:01 1.365038 0.096558 BFGS: 5237 17:12:02 1.357451 0.096390 BFGS: 5238 17:12:02 1.349886 0.096221 BFGS: 5239 17:12:03 1.342341 0.096052 BFGS: 5240 17:12:03 1.334818 0.095882 BFGS: 5241 17:12:03 1.327316 0.095712 BFGS: 5242 17:12:04 1.319835 0.095542 BFGS: 5243 17:12:04 1.312375 0.095372 BFGS: 5244 17:12:05 1.304937 0.095202 BFGS: 5245 17:12:05 1.297519 0.095031 BFGS: 5246 17:12:06 1.290123 0.094860 BFGS: 5247 17:12:06 1.282748 0.094689 BFGS: 5248 17:12:06 1.275394 0.094518 BFGS: 5249 17:12:07 1.268061 0.094346 BFGS: 5250 17:12:07 1.260749 0.094174 BFGS: 5251 17:12:07 1.253459 0.094002 BFGS: 5252 17:12:08 1.246189 0.093829 BFGS: 5253 17:12:08 1.238941 0.093657 BFGS: 5254 17:12:09 1.231714 0.093484 BFGS: 5255 17:12:09 1.224508 0.093311 BFGS: 5256 17:12:09 1.217324 0.093137 BFGS: 5257 17:12:10 1.210160 0.092964 BFGS: 5258 17:12:10 1.203018 0.092790 BFGS: 5259 17:12:11 1.195897 0.092616 BFGS: 5260 17:12:11 1.188797 0.092441 BFGS: 5261 17:12:12 1.181718 0.092267 BFGS: 5262 17:12:12 1.174661 0.092092 BFGS: 5263 17:12:13 1.167624 0.091916 BFGS: 5264 17:12:13 1.160609 0.091741 BFGS: 5265 17:12:14 1.153615 0.091565 BFGS: 5266 17:12:14 1.146643 0.091389 BFGS: 5267 17:12:15 1.139691 0.091213 BFGS: 5268 17:12:15 1.132760 0.091037 BFGS: 5269 17:12:16 1.125851 0.090860 BFGS: 5270 17:12:16 1.118963 0.090683 BFGS: 5271 17:12:17 1.112096 0.090506 BFGS: 5272 17:12:17 1.105251 0.090329 BFGS: 5273 17:12:17 1.098426 0.090151 BFGS: 5274 17:12:18 1.091623 0.089973 BFGS: 5275 17:12:18 1.084841 0.089795 BFGS: 5276 17:12:19 1.078080 0.089616 BFGS: 5277 17:12:20 1.071340 0.089438 BFGS: 5278 17:12:20 1.064622 0.089259 BFGS: 5279 17:12:20 1.057925 0.089079 BFGS: 5280 17:12:21 1.051248 0.088900 BFGS: 5281 17:12:21 1.044594 0.088720 BFGS: 5282 17:12:22 1.037960 0.088540 BFGS: 5283 17:12:22 1.031347 0.088360 BFGS: 5284 17:12:22 1.024756 0.088180 BFGS: 5285 17:12:22 1.018186 0.087999 BFGS: 5286 17:12:23 1.011637 0.087818 BFGS: 5287 17:12:23 1.005110 0.087636 BFGS: 5288 17:12:23 0.998603 0.087455 BFGS: 5289 17:12:23 0.992118 0.087273 BFGS: 5290 17:12:24 0.985654 0.087091 BFGS: 5291 17:12:24 0.979211 0.086909 BFGS: 5292 17:12:25 0.972790 0.086726 BFGS: 5293 17:12:25 0.966389 0.086543 BFGS: 5294 17:12:26 0.960010 0.086360 BFGS: 5295 17:12:26 0.953652 0.086177 BFGS: 5296 17:12:26 0.947316 0.085993 BFGS: 5297 17:12:27 0.941000 0.085809 BFGS: 5298 17:12:27 0.934706 0.085625 BFGS: 5299 17:12:28 0.928433 0.085441 BFGS: 5300 17:12:28 0.922181 0.085256 BFGS: 5301 17:12:29 0.915951 0.085071 BFGS: 5302 17:12:29 0.909741 0.084886 BFGS: 5303 17:12:29 0.903553 0.084701 BFGS: 5304 17:12:30 0.897386 0.084515 BFGS: 5305 17:12:30 0.891240 0.084329 BFGS: 5306 17:12:30 0.885116 0.084143 BFGS: 5307 17:12:31 0.879013 0.083956 BFGS: 5308 17:12:31 0.872931 0.083769 BFGS: 5309 17:12:31 0.866870 0.083582 BFGS: 5310 17:12:32 0.860831 0.083395 BFGS: 5311 17:12:32 0.854812 0.083207 BFGS: 5312 17:12:32 0.848815 0.083020 BFGS: 5313 17:12:33 0.842839 0.082832 BFGS: 5314 17:12:33 0.836885 0.082643 BFGS: 5315 17:12:34 0.830951 0.082455 BFGS: 5316 17:12:34 0.825039 0.082266 BFGS: 5317 17:12:34 0.819148 0.082076 BFGS: 5318 17:12:35 0.813279 0.081887 BFGS: 5319 17:12:35 0.807430 0.081697 BFGS: 5320 17:12:35 0.801603 0.081507 BFGS: 5321 17:12:36 0.795797 0.081317 BFGS: 5322 17:12:36 0.790013 0.081126 BFGS: 5323 17:12:37 0.784249 0.080936 BFGS: 5324 17:12:37 0.778507 0.080745 BFGS: 5325 17:12:37 0.772786 0.080553 BFGS: 5326 17:12:38 0.767086 0.080362 BFGS: 5327 17:12:38 0.761408 0.080170 BFGS: 5328 17:12:39 0.755751 0.079978 BFGS: 5329 17:12:39 0.750115 0.079785 BFGS: 5330 17:12:39 0.744500 0.079592 BFGS: 5331 17:12:40 0.738907 0.079399 BFGS: 5332 17:12:40 0.733335 0.079206 BFGS: 5333 17:12:41 0.727784 0.079013 BFGS: 5334 17:12:41 0.722254 0.078819 BFGS: 5335 17:12:41 0.716745 0.078625 BFGS: 5336 17:12:42 0.711258 0.078430 BFGS: 5337 17:12:42 0.705792 0.078236 BFGS: 5338 17:12:43 0.700348 0.078041 BFGS: 5339 17:12:43 0.694924 0.077845 BFGS: 5340 17:12:43 0.689522 0.077650 BFGS: 5341 17:12:44 0.684141 0.077454 BFGS: 5342 17:12:45 0.678781 0.077258 BFGS: 5343 17:12:45 0.673443 0.077062 BFGS: 5344 17:12:45 0.668126 0.076865 BFGS: 5345 17:12:46 0.662830 0.076668 BFGS: 5346 17:12:46 0.657555 0.076471 BFGS: 5347 17:12:47 0.652302 0.076274 BFGS: 5348 17:12:47 0.647070 0.076076 BFGS: 5349 17:12:48 0.641859 0.075878 BFGS: 5350 17:12:48 0.636669 0.075680 BFGS: 5351 17:12:48 0.631501 0.075481 BFGS: 5352 17:12:49 0.626354 0.075282 BFGS: 5353 17:12:49 0.621228 0.075083 BFGS: 5354 17:12:50 0.616124 0.074884 BFGS: 5355 17:12:50 0.611040 0.074684 BFGS: 5356 17:12:50 0.605978 0.074484 BFGS: 5357 17:12:51 0.600938 0.074283 BFGS: 5358 17:12:51 0.595918 0.074083 BFGS: 5359 17:12:52 0.590920 0.073882 BFGS: 5360 17:12:52 0.585943 0.073681 BFGS: 5361 17:12:53 0.580987 0.073479 BFGS: 5362 17:12:53 0.576053 0.073278 BFGS: 5363 17:12:53 0.571140 0.073076 BFGS: 5364 17:12:54 0.566248 0.072873 BFGS: 5365 17:12:54 0.561377 0.072671 BFGS: 5366 17:12:55 0.556528 0.072468 BFGS: 5367 17:12:55 0.551700 0.072264 BFGS: 5368 17:12:55 0.546893 0.072061 BFGS: 5369 17:12:55 0.542108 0.071857 BFGS: 5370 17:12:56 0.537344 0.071653 BFGS: 5371 17:12:56 0.532601 0.071449 BFGS: 5372 17:12:56 0.527879 0.071244 BFGS: 5373 17:12:57 0.523179 0.071039 BFGS: 5374 17:12:57 0.518499 0.070834 BFGS: 5375 17:12:58 0.513842 0.070628 BFGS: 5376 17:12:58 0.509205 0.070422 BFGS: 5377 17:12:59 0.504590 0.070216 BFGS: 5378 17:12:59 0.499996 0.070009 BFGS: 5379 17:13:00 0.495423 0.069803 BFGS: 5380 17:13:00 0.490871 0.069596 BFGS: 5381 17:13:01 0.486341 0.069388 BFGS: 5382 17:13:01 0.481832 0.069180 BFGS: 5383 17:13:02 0.477344 0.068972 BFGS: 5384 17:13:02 0.472878 0.068764 BFGS: 5385 17:13:03 0.468433 0.068555 BFGS: 5386 17:13:03 0.464009 0.068347 BFGS: 5387 17:13:03 0.459607 0.068137 BFGS: 5388 17:13:04 0.455225 0.067928 BFGS: 5389 17:13:04 0.450865 0.067718 BFGS: 5390 17:13:05 0.446527 0.067508 BFGS: 5391 17:13:05 0.442209 0.067297 BFGS: 5392 17:13:06 0.437913 0.067086 BFGS: 5393 17:13:06 0.433638 0.066875 BFGS: 5394 17:13:07 0.429385 0.066664 BFGS: 5395 17:13:07 0.425152 0.066452 BFGS: 5396 17:13:08 0.420941 0.066240 BFGS: 5397 17:13:08 0.416752 0.066028 BFGS: 5398 17:13:08 0.412583 0.065815 BFGS: 5399 17:13:09 0.408436 0.065602 BFGS: 5400 17:13:09 0.404310 0.065389 BFGS: 5401 17:13:10 0.400205 0.065175 BFGS: 5402 17:13:10 0.396122 0.064961 BFGS: 5403 17:13:11 0.392060 0.064747 BFGS: 5404 17:13:11 0.388019 0.064532 BFGS: 5405 17:13:11 0.384000 0.064318 BFGS: 5406 17:13:12 0.380001 0.064102 BFGS: 5407 17:13:12 0.376024 0.063887 BFGS: 5408 17:13:13 0.372069 0.063671 BFGS: 5409 17:13:13 0.368134 0.063455 BFGS: 5410 17:13:14 0.364221 0.063238 BFGS: 5411 17:13:14 0.360330 0.063021 BFGS: 5412 17:13:14 0.356459 0.062804 BFGS: 5413 17:13:15 0.352610 0.062586 BFGS: 5414 17:13:15 0.348782 0.062369 BFGS: 5415 17:13:16 0.344975 0.062150 BFGS: 5416 17:13:16 0.341190 0.061932 BFGS: 5417 17:13:16 0.337426 0.061713 BFGS: 5418 17:13:17 0.333683 0.061494 BFGS: 5419 17:13:17 0.329961 0.061274 BFGS: 5420 17:13:17 0.326261 0.061054 BFGS: 5421 17:13:18 0.322582 0.060834 BFGS: 5422 17:13:18 0.318924 0.060614 BFGS: 5423 17:13:19 0.315288 0.060393 BFGS: 5424 17:13:19 0.311673 0.060172 BFGS: 5425 17:13:19 0.308079 0.059950 BFGS: 5426 17:13:20 0.304506 0.059728 BFGS: 5427 17:13:21 0.300955 0.059506 BFGS: 5428 17:13:21 0.297425 0.059283 BFGS: 5429 17:13:22 0.293916 0.059060 BFGS: 5430 17:13:22 0.290429 0.058837 BFGS: 5431 17:13:23 0.286963 0.058613 BFGS: 5432 17:13:23 0.283518 0.058389 BFGS: 5433 17:13:24 0.280094 0.058165 BFGS: 5434 17:13:24 0.276692 0.057940 BFGS: 5435 17:13:25 0.273311 0.057715 BFGS: 5436 17:13:25 0.269951 0.057490 BFGS: 5437 17:13:26 0.266613 0.057264 BFGS: 5438 17:13:26 0.263295 0.057038 BFGS: 5439 17:13:27 0.259999 0.056811 BFGS: 5440 17:13:27 0.256725 0.056585 BFGS: 5441 17:13:28 0.253471 0.056357 BFGS: 5442 17:13:28 0.250239 0.056130 BFGS: 5443 17:13:29 0.247029 0.055902 BFGS: 5444 17:13:29 0.243839 0.055673 BFGS: 5445 17:13:30 0.240671 0.055445 BFGS: 5446 17:13:30 0.237524 0.055216 BFGS: 5447 17:13:31 0.234398 0.054986 BFGS: 5448 17:13:31 0.231294 0.054756 BFGS: 5449 17:13:32 0.228210 0.054526 BFGS: 5450 17:13:32 0.225149 0.054296 BFGS: 5451 17:13:32 0.222108 0.054065 BFGS: 5452 17:13:33 0.219089 0.053833 BFGS: 5453 17:13:33 0.216091 0.053602 BFGS: 5454 17:13:34 0.213114 0.053370 BFGS: 5455 17:13:34 0.210158 0.053137 BFGS: 5456 17:13:35 0.207224 0.052904 BFGS: 5457 17:13:35 0.204311 0.052671 BFGS: 5458 17:13:36 0.201419 0.052437 BFGS: 5459 17:13:36 0.198549 0.052203 BFGS: 5460 17:13:37 0.195700 0.051969 BFGS: 5461 17:13:37 0.192872 0.051734 BFGS: 5462 17:13:37 0.190065 0.051499 BFGS: 5463 17:13:38 0.187280 0.051263 BFGS: 5464 17:13:38 0.184516 0.051027 BFGS: 5465 17:13:39 0.181773 0.050791 BFGS: 5466 17:13:39 0.179052 0.050554 BFGS: 5467 17:13:40 0.176351 0.050316 BFGS: 5468 17:13:40 0.173672 0.050079 BFGS: 5469 17:13:41 0.171015 0.049841 BFGS: 5470 17:13:41 0.168378 0.049602 BFGS: 5471 17:13:41 0.165763 0.049363 BFGS: 5472 17:13:41 0.163169 0.049124 BFGS: 5473 17:13:41 0.160596 0.048884 BFGS: 5474 17:13:42 0.158045 0.048644 BFGS: 5475 17:13:42 0.155515 0.048403 BFGS: 5476 17:13:43 0.153006 0.048162 BFGS: 5477 17:13:43 0.150518 0.047921 BFGS: 5478 17:13:44 0.148051 0.047679 BFGS: 5479 17:13:44 0.145606 0.047437 BFGS: 5480 17:13:44 0.143182 0.047194 BFGS: 5481 17:13:45 0.140780 0.046950 BFGS: 5482 17:13:45 0.138398 0.046707 BFGS: 5483 17:13:45 0.136038 0.046463 BFGS: 5484 17:13:46 0.133699 0.046218 BFGS: 5485 17:13:46 0.131382 0.045973 BFGS: 5486 17:13:46 0.129085 0.045728 BFGS: 5487 17:13:47 0.126810 0.045482 BFGS: 5488 17:13:47 0.124556 0.045235 BFGS: 5489 17:13:48 0.122323 0.044988 BFGS: 5490 17:13:48 0.120112 0.044741 BFGS: 5491 17:13:49 0.117922 0.044493 BFGS: 5492 17:13:49 0.115753 0.044245 BFGS: 5493 17:13:50 0.113605 0.043996 BFGS: 5494 17:13:50 0.111479 0.043747 BFGS: 5495 17:13:50 0.109373 0.043497 BFGS: 5496 17:13:51 0.107289 0.043247 BFGS: 5497 17:13:51 0.105226 0.042996 BFGS: 5498 17:13:52 0.103185 0.042745 BFGS: 5499 17:13:52 0.101164 0.042493 BFGS: 5500 17:13:52 0.099165 0.042241 BFGS: 5501 17:13:53 0.097187 0.041988 BFGS: 5502 17:13:53 0.095231 0.041735 BFGS: 5503 17:13:54 0.093295 0.041481 BFGS: 5504 17:13:54 0.091381 0.041226 BFGS: 5505 17:13:55 0.089488 0.040972 BFGS: 5506 17:13:55 0.087616 0.040716 BFGS: 5507 17:13:55 0.085766 0.040460 BFGS: 5508 17:13:56 0.083936 0.040204 BFGS: 5509 17:13:56 0.082128 0.039947 BFGS: 5510 17:13:56 0.080341 0.039689 BFGS: 5511 17:13:57 0.078575 0.039431 BFGS: 5512 17:13:57 0.076831 0.039173 BFGS: 5513 17:13:58 0.075107 0.038913 BFGS: 5514 17:13:58 0.073405 0.038653 BFGS: 5515 17:13:58 0.071724 0.038393 BFGS: 5516 17:13:59 0.070065 0.038132 BFGS: 5517 17:13:59 0.068426 0.037870 BFGS: 5518 17:13:59 0.066808 0.037608 BFGS: 5519 17:14:00 0.065212 0.037346 BFGS: 5520 17:14:00 0.063637 0.037082 BFGS: 5521 17:14:00 0.062083 0.036818 BFGS: 5522 17:14:01 0.060551 0.036554 BFGS: 5523 17:14:01 0.059039 0.036288 BFGS: 5524 17:14:02 0.057549 0.036022 BFGS: 5525 17:14:02 0.056079 0.035756 BFGS: 5526 17:14:02 0.054631 0.035489 BFGS: 5527 17:14:03 0.053205 0.035221 BFGS: 5528 17:14:03 0.051799 0.034952 BFGS: 5529 17:14:03 0.050414 0.034683 BFGS: 5530 17:14:03 0.049051 0.034413 BFGS: 5531 17:14:04 0.047708 0.034143 BFGS: 5532 17:14:04 0.046387 0.033871 BFGS: 5533 17:14:04 0.045087 0.033599 BFGS: 5534 17:14:05 0.043808 0.033327 BFGS: 5535 17:14:05 0.042550 0.033053 BFGS: 5536 17:14:06 0.041314 0.032779 BFGS: 5537 17:14:06 0.040098 0.032504 BFGS: 5538 17:14:06 0.038904 0.032228 BFGS: 5539 17:14:07 0.037730 0.031952 BFGS: 5540 17:14:07 0.036578 0.031674 BFGS: 5541 17:14:08 0.035447 0.031396 BFGS: 5542 17:14:08 0.034337 0.031117 BFGS: 5543 17:14:09 0.033248 0.030837 BFGS: 5544 17:14:09 0.032180 0.030557 BFGS: 5545 17:14:09 0.031133 0.030275 BFGS: 5546 17:14:09 0.030107 0.029993 BFGS: 5547 17:14:10 0.029102 0.029710 BFGS: 5548 17:14:10 0.028118 0.029425 BFGS: 5549 17:14:10 0.027155 0.029140 BFGS: 5550 17:14:10 0.026214 0.028854 BFGS: 5551 17:14:10 0.025293 0.028567 BFGS: 5552 17:14:11 0.024393 0.028279 BFGS: 5553 17:14:11 0.023514 0.027990 BFGS: 5554 17:14:12 0.022657 0.027700 BFGS: 5555 17:14:12 0.021820 0.027409 BFGS: 5556 17:14:12 0.021004 0.027117 BFGS: 5557 17:14:13 0.020207 0.026823 BFGS: 5558 17:14:13 0.019430 0.026525 BFGS: 5559 17:14:13 0.018670 0.026222 BFGS: 5560 17:14:14 0.017930 0.025915 BFGS: 5561 17:14:14 0.017207 0.025604 BFGS: 5562 17:14:15 0.016502 0.025288 BFGS: 5563 17:14:15 0.015816 0.024967 BFGS: 5564 17:14:15 0.015148 0.024642 BFGS: 5565 17:14:15 0.014497 0.024312 BFGS: 5566 17:14:16 0.013864 0.023978 BFGS: 5567 17:14:16 0.013248 0.023638 BFGS: 5568 17:14:17 0.012650 0.023294 BFGS: 5569 17:14:17 0.012070 0.022946 BFGS: 5570 17:14:18 0.011506 0.022592 BFGS: 5571 17:14:18 0.010959 0.022108 BFGS: 5572 17:14:18 0.010426 0.021519 BFGS: 5573 17:14:19 0.009907 0.020930 BFGS: 5574 17:14:19 0.009401 0.020342 BFGS: 5575 17:14:19 0.008910 0.019754 BFGS: 5576 17:14:19 0.008432 0.019167 BFGS: 5577 17:14:19 0.007968 0.018580 BFGS: 5578 17:14:20 0.007518 0.017994 BFGS: 5579 17:14:20 0.007082 0.017408 BFGS: 5580 17:14:21 0.006660 0.016823 BFGS: 5581 17:14:22 0.006251 0.016239 BFGS: 5582 17:14:22 0.005856 0.015654 BFGS: 5583 17:14:23 0.005475 0.015071 BFGS: 5584 17:14:23 0.005108 0.014488 BFGS: 5585 17:14:23 0.004755 0.013905 BFGS: 5586 17:14:24 0.004415 0.013323 BFGS: 5587 17:14:24 0.004089 0.012741 BFGS: 5588 17:14:25 0.003776 0.012160 BFGS: 5589 17:14:25 0.003478 0.011580 BFGS: 5590 17:14:26 0.003193 0.011000 BFGS: 5591 17:14:26 0.002921 0.010420 BFGS: 5592 17:14:27 0.002664 0.009842 BFGS: 5593 17:14:27 0.002420 0.009263 BFGS: 5594 17:14:27 0.002189 0.008686 BFGS: 5595 17:14:28 0.001972 0.008108 BFGS: 5596 17:14:28 0.001769 0.007532 BFGS: 5597 17:14:29 0.001579 0.006956 BFGS: 5598 17:14:29 0.001403 0.006381 BFGS: 5599 17:14:30 0.001240 0.005806 BFGS: 5600 17:14:30 0.001091 0.005232 BFGS: 5601 17:14:31 0.000955 0.004659 BFGS: 5602 17:14:31 0.000832 0.004087 BFGS: 5603 17:14:32 0.000723 0.003515 BFGS: 5604 17:14:32 0.000628 0.002944 BFGS: 5605 17:14:33 0.000545 0.002683 BFGS: 5606 17:14:33 0.000476 0.002615 BFGS: 5607 17:14:34 0.000419 0.002545 BFGS: 5608 17:14:34 0.000376 0.002473 BFGS: 5609 17:14:34 0.000346 0.002399 BFGS: 5610 17:14:35 0.000323 0.002321 BFGS: 5611 17:14:35 0.000301 0.002242 BFGS: 5612 17:14:36 0.000280 0.002163 BFGS: 5613 17:14:36 0.000260 0.002084 BFGS: 5614 17:14:37 0.000241 0.002004 BFGS: 5615 17:14:37 0.000222 0.001925 BFGS: 5616 17:14:38 0.000204 0.001846 BFGS: 5617 17:14:38 0.000187 0.001767 BFGS: 5618 17:14:39 0.000171 0.001688 BFGS: 5619 17:14:39 0.000155 0.001609 BFGS: 5620 17:14:40 0.000140 0.001529 BFGS: 5621 17:14:40 0.000126 0.001450 BFGS: 5622 17:14:40 0.000113 0.001371 BFGS: 5623 17:14:41 0.000100 0.001292 BFGS: 5624 17:14:42 0.000088 0.001212 BFGS: 5625 17:14:42 0.000077 0.001133 BFGS: 5626 17:14:43 0.000066 0.001054 BFGS: 5627 17:14:43 0.000057 0.000975 BFGS: 5628 17:14:43 0.000048 0.000895 BFGS: 5629 17:14:44 0.000040 0.000816 BFGS: 5630 17:14:44 0.000032 0.000737 BFGS: 5631 17:14:45 0.000026 0.000658 BFGS: 5632 17:14:45 0.000020 0.000578 BFGS: 5633 17:14:46 0.000015 0.000499 BFGS: 5634 17:14:46 0.000011 0.000420 BFGS: 5635 17:14:47 0.000007 0.000340 BFGS: 5636 17:14:48 0.000004 0.000261 BFGS: 5637 17:14:48 0.000002 0.000181 BFGS: 5638 17:14:49 0.000001 0.000102 BFGS: 5639 17:14:49 0.000000 0.000023 BFGS: 5640 17:14:50 0.000000 0.000000 Minimization converged after 5640 steps. Maximum force component: 5.295597726471468e-10 eV/Angstrom Maximum stress component: 1.6839551936276773e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0. 0. 0. ] [0. 0.5 0.5 ] [0.5 0.5 0. ] [0.5 0. 0.5 ] [0.75 0.25 0.75 ] [0.25 0.25 0.25 ] [0.25 0.75 0.75 ] [0.75 0.75 0.25 ] [0.90546936 0.90546936 0.90546936] [0.09453064 0.59453064 0.40546936] [0.59453064 0.40546936 0.09453064] [0.40546936 0.09453064 0.59453064] [0.65546936 0.15546936 0.84453064] [0.34453064 0.34453064 0.34453064] [0.15546936 0.84453064 0.65546936] [0.84453064 0.65546936 0.15546936] [0.15546936 0.65546936 0.84453064] [0.65546936 0.84453064 0.15546936] [0.84453064 0.15546936 0.65546936] [0.59453064 0.09453064 0.40546936] [0.09453064 0.40546936 0.59453064] [0.40546936 0.59453064 0.09453064] [0.90546936 0.40546936 0.40546936] [0.09453064 0.09453064 0.90546936] [0.59453064 0.90546936 0.59453064] [0.65546936 0.65546936 0.34453064] [0.34453064 0.84453064 0.84453064] [0.15546936 0.34453064 0.15546936] [0.15546936 0.15546936 0.34453064] [0.65546936 0.34453064 0.65546936] [0.59453064 0.59453064 0.90546936] [0.09453064 0.90546936 0.09453064] [0.40546936 0.90546936 0.40546936] [0.90546936 0.09453064 0.09453064] [0.84453064 0.34453064 0.84453064] [0.34453064 0.65546936 0.65546936] [0.34453064 0.15546936 0.15546936] [0.90546936 0.59453064 0.59453064] [0.40546936 0.40546936 0.90546936] [0.84453064 0.84453064 0.34453064] [0.44206142 0.44206142 0.2566768 ] [0.55793858 0.05793858 0.7566768 ] [0.05793858 0.94206142 0.7433232 ] [0.94206142 0.55793858 0.2433232 ] [0.2566768 0.44206142 0.44206142] [0.7566768 0.55793858 0.05793858] [0.7433232 0.05793858 0.94206142] [0.2433232 0.94206142 0.55793858] [0.44206142 0.2566768 0.44206142] [0.05793858 0.7566768 0.55793858] [0.94206142 0.7433232 0.05793858] [0.55793858 0.2433232 0.94206142] [0.19206142 0.69206142 0.4933232 ] [0.80793858 0.80793858 0.9933232 ] [0.69206142 0.30793858 0.0066768 ] [0.30793858 0.19206142 0.5066768 ] [0.19206142 0.5066768 0.30793858] [0.30793858 0.0066768 0.69206142] [0.80793858 0.9933232 0.80793858] [0.69206142 0.4933232 0.19206142] [0.0066768 0.69206142 0.30793858] [0.5066768 0.30793858 0.19206142] [0.4933232 0.19206142 0.69206142] [0.9933232 0.80793858 0.80793858] [0.69206142 0.19206142 0.4933232 ] [0.19206142 0.30793858 0.5066768 ] [0.30793858 0.69206142 0.0066768 ] [0.4933232 0.69206142 0.19206142] [0.5066768 0.19206142 0.30793858] [0.0066768 0.30793858 0.69206142] [0.19206142 0.4933232 0.69206142] [0.30793858 0.5066768 0.19206142] [0.69206142 0.0066768 0.30793858] [0.05793858 0.55793858 0.7566768 ] [0.55793858 0.94206142 0.2433232 ] [0.94206142 0.05793858 0.7433232 ] [0.05793858 0.7433232 0.94206142] [0.94206142 0.2433232 0.55793858] [0.55793858 0.7566768 0.05793858] [0.2433232 0.55793858 0.94206142] [0.7433232 0.94206142 0.05793858] [0.7566768 0.05793858 0.55793858] [0.44206142 0.94206142 0.7566768 ] [0.55793858 0.55793858 0.2566768 ] [0.05793858 0.44206142 0.2433232 ] [0.2566768 0.94206142 0.94206142] [0.7433232 0.55793858 0.44206142] [0.2433232 0.44206142 0.05793858] [0.44206142 0.7566768 0.94206142] [0.05793858 0.2566768 0.05793858] [0.55793858 0.7433232 0.44206142] [0.19206142 0.19206142 0.9933232 ] [0.80793858 0.30793858 0.4933232 ] [0.69206142 0.80793858 0.5066768 ] [0.19206142 0.0066768 0.80793858] [0.80793858 0.4933232 0.30793858] [0.69206142 0.9933232 0.69206142] [0.0066768 0.19206142 0.80793858] [0.5066768 0.80793858 0.69206142] [0.9933232 0.30793858 0.30793858] [0.69206142 0.69206142 0.9933232 ] [0.19206142 0.80793858 0.0066768 ] [0.5066768 0.69206142 0.80793858] [0.0066768 0.80793858 0.19206142] [0.19206142 0.9933232 0.19206142] [0.69206142 0.5066768 0.80793858] [0.05793858 0.05793858 0.2566768 ] [0.55793858 0.44206142 0.7433232 ] [0.05793858 0.2433232 0.44206142] [0.55793858 0.2566768 0.55793858] [0.2433232 0.05793858 0.44206142] [0.7433232 0.44206142 0.55793858] [0.94206142 0.44206142 0.7566768 ] [0.44206142 0.55793858 0.7433232 ] [0.7566768 0.44206142 0.94206142] [0.2566768 0.55793858 0.55793858] [0.94206142 0.2566768 0.94206142] [0.44206142 0.7433232 0.55793858] [0.30793858 0.80793858 0.4933232 ] [0.80793858 0.19206142 0.0066768 ] [0.80793858 0.0066768 0.19206142] [0.30793858 0.9933232 0.30793858] [0.9933232 0.19206142 0.19206142] [0.4933232 0.80793858 0.30793858] [0.80793858 0.69206142 0.5066768 ] [0.9933232 0.69206142 0.69206142] [0.80793858 0.5066768 0.69206142] [0.44206142 0.05793858 0.2433232 ] [0.44206142 0.2433232 0.05793858] [0.2566768 0.05793858 0.05793858] [0.94206142 0.94206142 0.2566768 ] [0.7566768 0.94206142 0.44206142] [0.94206142 0.7566768 0.44206142] [0.30793858 0.30793858 0.9933232 ] [0.30793858 0.4933232 0.80793858] [0.4933232 0.30793858 0.80793858]] cellpar = Cell([[45.28827717192085, -1.798462527252914e-31, 1.8215162782998499e-31], [-2.584784127981694e-31, 45.28827717192085, 2.2143726899201826e-17], [-1.8170594033466137e-31, 2.2143726899202904e-17, 45.28827717192085]]) forces = [[ 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] [ 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] [ 2.84826600e-10 2.84826600e-10 5.29559773e-10] [-2.84826600e-10 -2.84826600e-10 5.29559773e-10] [-2.84826600e-10 2.84826600e-10 -5.29559773e-10] [ 2.84826600e-10 -2.84826600e-10 -5.29559773e-10] [ 5.29559773e-10 2.84826600e-10 2.84826600e-10] [ 5.29559773e-10 -2.84826600e-10 -2.84826600e-10] [-5.29559773e-10 -2.84826600e-10 2.84826600e-10] [-5.29559773e-10 2.84826600e-10 -2.84826600e-10] [ 2.84826600e-10 5.29559773e-10 2.84826600e-10] [-2.84826600e-10 5.29559773e-10 -2.84826600e-10] [ 2.84826600e-10 -5.29559773e-10 -2.84826600e-10] [-2.84826600e-10 -5.29559773e-10 2.84826600e-10] [ 2.84826600e-10 2.84826600e-10 -5.29559773e-10] [-2.84826600e-10 -2.84826600e-10 -5.29559773e-10] [ 2.84826600e-10 -2.84826600e-10 5.29559773e-10] [-2.84826600e-10 2.84826600e-10 5.29559773e-10] [ 2.84826600e-10 5.29559773e-10 -2.84826600e-10] [-2.84826600e-10 5.29559773e-10 2.84826600e-10] [-2.84826600e-10 -5.29559773e-10 -2.84826600e-10] [ 2.84826600e-10 -5.29559773e-10 2.84826600e-10] [ 5.29559773e-10 2.84826600e-10 -2.84826600e-10] [ 5.29559773e-10 -2.84826600e-10 2.84826600e-10] [-5.29559773e-10 2.84826600e-10 2.84826600e-10] [-5.29559773e-10 -2.84826600e-10 -2.84826600e-10] [ 2.84826600e-10 2.84826600e-10 -5.29559773e-10] [ 2.84826600e-10 -2.84826600e-10 5.29559773e-10] [-2.84826600e-10 2.84826600e-10 5.29559773e-10] [-5.29559773e-10 2.84826600e-10 2.84826600e-10] [ 5.29559773e-10 2.84826600e-10 -2.84826600e-10] [ 5.29559773e-10 -2.84826600e-10 2.84826600e-10] [ 2.84826600e-10 -5.29559773e-10 2.84826600e-10] [-2.84826600e-10 5.29559773e-10 2.84826600e-10] [ 2.84826600e-10 5.29559773e-10 -2.84826600e-10] [-2.84826600e-10 -2.84826600e-10 5.29559773e-10] [-2.84826600e-10 2.84826600e-10 -5.29559773e-10] [ 2.84826600e-10 -2.84826600e-10 -5.29559773e-10] [-2.84826600e-10 -5.29559773e-10 2.84826600e-10] [ 2.84826600e-10 -5.29559773e-10 -2.84826600e-10] [-2.84826600e-10 5.29559773e-10 -2.84826600e-10] [-5.29559773e-10 -2.84826600e-10 2.84826600e-10] [-5.29559773e-10 2.84826600e-10 -2.84826600e-10] [ 5.29559773e-10 -2.84826600e-10 -2.84826600e-10] [ 2.84826600e-10 2.84826600e-10 5.29559773e-10] [-2.84826600e-10 -2.84826600e-10 5.29559773e-10] [-2.84826600e-10 2.84826600e-10 -5.29559773e-10] [ 5.29559773e-10 2.84826600e-10 2.84826600e-10] [-5.29559773e-10 -2.84826600e-10 2.84826600e-10] [-5.29559773e-10 2.84826600e-10 -2.84826600e-10] [ 2.84826600e-10 5.29559773e-10 2.84826600e-10] [-2.84826600e-10 5.29559773e-10 -2.84826600e-10] [-2.84826600e-10 -5.29559773e-10 2.84826600e-10] [ 2.84826600e-10 2.84826600e-10 -5.29559773e-10] [-2.84826600e-10 -2.84826600e-10 -5.29559773e-10] [ 2.84826600e-10 -2.84826600e-10 5.29559773e-10] [ 2.84826600e-10 5.29559773e-10 -2.84826600e-10] [-2.84826600e-10 -5.29559773e-10 -2.84826600e-10] [ 2.84826600e-10 -5.29559773e-10 2.84826600e-10] [ 5.29559773e-10 2.84826600e-10 -2.84826600e-10] [ 5.29559773e-10 -2.84826600e-10 2.84826600e-10] [-5.29559773e-10 -2.84826600e-10 -2.84826600e-10] [ 2.84826600e-10 2.84826600e-10 -5.29559773e-10] [ 2.84826600e-10 -2.84826600e-10 5.29559773e-10] [ 5.29559773e-10 2.84826600e-10 -2.84826600e-10] [ 5.29559773e-10 -2.84826600e-10 2.84826600e-10] [ 2.84826600e-10 -5.29559773e-10 2.84826600e-10] [ 2.84826600e-10 5.29559773e-10 -2.84826600e-10] [-2.84826600e-10 -2.84826600e-10 5.29559773e-10] [-2.84826600e-10 2.84826600e-10 -5.29559773e-10] [-2.84826600e-10 -5.29559773e-10 2.84826600e-10] [-2.84826600e-10 5.29559773e-10 -2.84826600e-10] [-5.29559773e-10 -2.84826600e-10 2.84826600e-10] [-5.29559773e-10 2.84826600e-10 -2.84826600e-10] [ 2.84826600e-10 2.84826600e-10 5.29559773e-10] [ 2.84826600e-10 -2.84826600e-10 -5.29559773e-10] [ 5.29559773e-10 2.84826600e-10 2.84826600e-10] [ 5.29559773e-10 -2.84826600e-10 -2.84826600e-10] [ 2.84826600e-10 5.29559773e-10 2.84826600e-10] [ 2.84826600e-10 -5.29559773e-10 -2.84826600e-10] [-2.84826600e-10 -2.84826600e-10 -5.29559773e-10] [-2.84826600e-10 2.84826600e-10 5.29559773e-10] [-2.84826600e-10 5.29559773e-10 2.84826600e-10] [-2.84826600e-10 -5.29559773e-10 -2.84826600e-10] [-5.29559773e-10 2.84826600e-10 2.84826600e-10] [-5.29559773e-10 -2.84826600e-10 -2.84826600e-10] [-2.84826600e-10 2.84826600e-10 5.29559773e-10] [-5.29559773e-10 2.84826600e-10 2.84826600e-10] [-2.84826600e-10 5.29559773e-10 2.84826600e-10] [ 2.84826600e-10 -2.84826600e-10 -5.29559773e-10] [ 2.84826600e-10 -5.29559773e-10 -2.84826600e-10] [ 5.29559773e-10 -2.84826600e-10 -2.84826600e-10] [ 2.84826600e-10 2.84826600e-10 5.29559773e-10] [ 5.29559773e-10 2.84826600e-10 2.84826600e-10] [ 2.84826600e-10 5.29559773e-10 2.84826600e-10] [-2.84826600e-10 -2.84826600e-10 -5.29559773e-10] [-2.84826600e-10 -5.29559773e-10 -2.84826600e-10] [-5.29559773e-10 -2.84826600e-10 -2.84826600e-10]] stress = [-1.68395519e-12 -1.68395519e-12 -1.68395519e-12 -2.45881987e-31 -6.00964558e-36 -1.35036161e-54] energy per atom = 0.0 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0