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 14:14:19 2283.798274 19.5807 BFGS: 1 14:14:20 2276.919272 19.5356 BFGS: 2 14:14:21 2270.630326 19.4927 BFGS: 3 14:14:21 2264.796338 19.4513 BFGS: 4 14:14:22 2259.322859 19.4113 BFGS: 5 14:14:22 2254.141512 19.3723 BFGS: 6 14:14:23 2249.201341 19.3342 BFGS: 7 14:14:23 2244.463451 19.2969 BFGS: 8 14:14:24 2239.897533 19.2603 BFGS: 9 14:14:24 2235.479547 19.2242 BFGS: 10 14:14:24 2231.190129 19.1886 BFGS: 11 14:14:25 2227.013465 19.1535 BFGS: 12 14:14:25 2222.936490 19.1187 BFGS: 13 14:14:26 2218.948286 19.0844 BFGS: 14 14:14:26 2215.039646 19.0503 BFGS: 15 14:14:26 2211.202735 19.0166 BFGS: 16 14:14:26 2207.430832 18.9831 BFGS: 17 14:14:27 2203.718130 18.9499 BFGS: 18 14:14:27 2200.059579 18.9170 BFGS: 19 14:14:27 2196.450756 18.8842 BFGS: 20 14:14:28 2192.887772 18.8517 BFGS: 21 14:14:28 2189.367180 18.8193 BFGS: 22 14:14:29 2185.885918 18.7871 BFGS: 23 14:14:30 2182.441246 18.7551 BFGS: 24 14:14:30 2179.030708 18.7233 BFGS: 25 14:14:31 2175.652087 18.6916 BFGS: 26 14:14:32 2172.303377 18.6601 BFGS: 27 14:14:32 2168.982755 18.6286 BFGS: 28 14:14:33 2165.688559 18.5974 BFGS: 29 14:14:33 2162.419266 18.5662 BFGS: 30 14:14:34 2159.173478 18.5352 BFGS: 31 14:14:34 2155.949908 18.5043 BFGS: 32 14:14:35 2152.747363 18.4735 BFGS: 33 14:14:36 2149.564737 18.4428 BFGS: 34 14:14:37 2146.401002 18.4122 BFGS: 35 14:14:37 2143.255196 18.3817 BFGS: 36 14:14:38 2140.126419 18.3512 BFGS: 37 14:14:39 2137.013825 18.3209 BFGS: 38 14:14:39 2133.916636 18.2908 BFGS: 39 14:14:40 2130.834233 18.2608 BFGS: 40 14:14:41 2127.765890 18.2308 BFGS: 41 14:14:42 2124.710920 18.2010 BFGS: 42 14:14:43 2121.668667 18.1712 BFGS: 43 14:14:43 2118.638508 18.1414 BFGS: 44 14:14:44 2115.619844 18.1118 BFGS: 45 14:14:44 2112.612099 18.0822 BFGS: 46 14:14:45 2109.614723 18.0527 BFGS: 47 14:14:46 2106.627180 18.0232 BFGS: 48 14:14:47 2103.648954 17.9939 BFGS: 49 14:14:47 2100.679546 17.9645 BFGS: 50 14:14:48 2097.718467 17.9353 BFGS: 51 14:14:50 2094.765245 17.9061 BFGS: 52 14:14:51 2091.819416 17.8770 BFGS: 53 14:14:52 2088.880529 17.8479 BFGS: 54 14:14:52 2085.948143 17.8189 BFGS: 55 14:14:53 2083.021824 17.7899 BFGS: 56 14:14:54 2080.101148 17.7610 BFGS: 57 14:14:54 2077.185700 17.7321 BFGS: 58 14:14:55 2074.275073 17.7033 BFGS: 59 14:14:56 2071.368866 17.6746 BFGS: 60 14:14:56 2068.466689 17.6458 BFGS: 61 14:14:57 2065.568159 17.6172 BFGS: 62 14:14:58 2062.672903 17.5885 BFGS: 63 14:14:58 2059.780556 17.5599 BFGS: 64 14:14:59 2056.890764 17.5314 BFGS: 65 14:15:00 2054.003184 17.5029 BFGS: 66 14:15:01 2051.117483 17.4744 BFGS: 67 14:15:02 2048.233342 17.4459 BFGS: 68 14:15:02 2045.350454 17.4175 BFGS: 69 14:15:03 2042.468526 17.3891 BFGS: 70 14:15:04 2039.587282 17.3607 BFGS: 71 14:15:05 2036.706459 17.3324 BFGS: 72 14:15:05 2033.825813 17.3041 BFGS: 73 14:15:06 2030.945115 17.2758 BFGS: 74 14:15:07 2028.064155 17.2475 BFGS: 75 14:15:07 2025.182743 17.2192 BFGS: 76 14:15:08 2022.300705 17.1909 BFGS: 77 14:15:09 2019.417888 17.1627 BFGS: 78 14:15:10 2016.534157 17.1345 BFGS: 79 14:15:10 2013.649395 17.1062 BFGS: 80 14:15:11 2010.763504 17.0780 BFGS: 81 14:15:12 2007.876404 17.0498 BFGS: 82 14:15:12 2004.988032 17.0216 BFGS: 83 14:15:13 2002.098262 16.9943 BFGS: 84 14:15:14 1999.206166 16.9677 BFGS: 85 14:15:14 1996.311335 16.9411 BFGS: 86 14:15:15 1993.413875 16.9145 BFGS: 87 14:15:16 1990.513898 16.8878 BFGS: 88 14:15:17 1987.611517 16.8612 BFGS: 89 14:15:18 1984.706849 16.8346 BFGS: 90 14:15:19 1981.800012 16.8080 BFGS: 91 14:15:19 1978.891125 16.7814 BFGS: 92 14:15:20 1975.980307 16.7548 BFGS: 93 14:15:21 1973.067678 16.7281 BFGS: 94 14:15:21 1970.153361 16.7015 BFGS: 95 14:15:22 1967.237481 16.6749 BFGS: 96 14:15:23 1964.320164 16.6482 BFGS: 97 14:15:24 1961.401541 16.6215 BFGS: 98 14:15:25 1958.481747 16.5949 BFGS: 99 14:15:25 1955.560921 16.5682 BFGS: 100 14:15:26 1952.639207 16.5415 BFGS: 101 14:15:27 1949.716755 16.5148 BFGS: 102 14:15:28 1946.793722 16.4880 BFGS: 103 14:15:28 1943.870270 16.4613 BFGS: 104 14:15:29 1940.946568 16.4345 BFGS: 105 14:15:30 1938.022792 16.4078 BFGS: 106 14:15:31 1935.099113 16.3814 BFGS: 107 14:15:31 1932.175449 16.3556 BFGS: 108 14:15:33 1929.251742 16.3298 BFGS: 109 14:15:33 1926.328213 16.3040 BFGS: 110 14:15:34 1923.405091 16.2781 BFGS: 111 14:15:35 1920.482611 16.2523 BFGS: 112 14:15:35 1917.561016 16.2264 BFGS: 113 14:15:36 1914.640557 16.2005 BFGS: 114 14:15:37 1911.721489 16.1746 BFGS: 115 14:15:37 1908.804076 16.1487 BFGS: 116 14:15:38 1905.888587 16.1228 BFGS: 117 14:15:39 1902.975297 16.0968 BFGS: 118 14:15:40 1900.064486 16.0708 BFGS: 119 14:15:40 1897.156441 16.0448 BFGS: 120 14:15:41 1894.251450 16.0188 BFGS: 121 14:15:41 1891.349810 15.9928 BFGS: 122 14:15:42 1888.451816 15.9667 BFGS: 123 14:15:43 1885.557772 15.9407 BFGS: 124 14:15:44 1882.667980 15.9146 BFGS: 125 14:15:45 1879.782747 15.8885 BFGS: 126 14:15:45 1876.902369 15.8627 BFGS: 127 14:15:46 1874.026873 15.8383 BFGS: 128 14:15:47 1871.156913 15.8139 BFGS: 129 14:15:47 1868.292767 15.7895 BFGS: 130 14:15:48 1865.434713 15.7650 BFGS: 131 14:15:49 1862.583028 15.7406 BFGS: 132 14:15:50 1859.737990 15.7161 BFGS: 133 14:15:51 1856.899872 15.6917 BFGS: 134 14:15:52 1854.068949 15.6672 BFGS: 135 14:15:52 1851.245490 15.6427 BFGS: 136 14:15:53 1848.429761 15.6182 BFGS: 137 14:15:54 1845.622025 15.5937 BFGS: 138 14:15:55 1842.822539 15.5692 BFGS: 139 14:15:56 1840.031555 15.5446 BFGS: 140 14:15:56 1837.249318 15.5201 BFGS: 141 14:15:57 1834.476067 15.4956 BFGS: 142 14:15:58 1831.712034 15.4710 BFGS: 143 14:15:58 1828.957443 15.4465 BFGS: 144 14:15:58 1826.212508 15.4219 BFGS: 145 14:15:59 1823.477438 15.3974 BFGS: 146 14:16:00 1820.752263 15.3737 BFGS: 147 14:16:00 1818.036455 15.3503 BFGS: 148 14:16:01 1815.330107 15.3268 BFGS: 149 14:16:02 1812.633406 15.3033 BFGS: 150 14:16:03 1809.946530 15.2799 BFGS: 151 14:16:03 1807.269436 15.2574 BFGS: 152 14:16:04 1804.601472 15.2349 BFGS: 153 14:16:05 1801.942799 15.2125 BFGS: 154 14:16:06 1799.293586 15.1900 BFGS: 155 14:16:06 1796.653990 15.1675 BFGS: 156 14:16:07 1794.024159 15.1451 BFGS: 157 14:16:08 1791.404230 15.1226 BFGS: 158 14:16:08 1788.794331 15.1001 BFGS: 159 14:16:09 1786.194576 15.0776 BFGS: 160 14:16:10 1783.605072 15.0552 BFGS: 161 14:16:10 1781.025913 15.0327 BFGS: 162 14:16:11 1778.457181 15.0102 BFGS: 163 14:16:12 1775.898950 14.9878 BFGS: 164 14:16:12 1773.351280 14.9653 BFGS: 165 14:16:13 1770.814224 14.9429 BFGS: 166 14:16:14 1768.287820 14.9204 BFGS: 167 14:16:14 1765.772100 14.8980 BFGS: 168 14:16:15 1763.267083 14.8756 BFGS: 169 14:16:15 1760.772780 14.8531 BFGS: 170 14:16:17 1758.289190 14.8307 BFGS: 171 14:16:17 1755.816305 14.8083 BFGS: 172 14:16:18 1753.354106 14.7860 BFGS: 173 14:16:19 1750.902568 14.7636 BFGS: 174 14:16:20 1748.461655 14.7412 BFGS: 175 14:16:20 1746.031324 14.7189 BFGS: 176 14:16:21 1743.611523 14.6965 BFGS: 177 14:16:22 1741.202196 14.6742 BFGS: 178 14:16:23 1738.803160 14.6524 BFGS: 179 14:16:24 1736.414142 14.6310 BFGS: 180 14:16:24 1734.035152 14.6096 BFGS: 181 14:16:25 1731.666117 14.5882 BFGS: 182 14:16:26 1729.306960 14.5669 BFGS: 183 14:16:27 1726.957595 14.5456 BFGS: 184 14:16:28 1724.617935 14.5242 BFGS: 185 14:16:29 1722.287886 14.5029 BFGS: 186 14:16:29 1719.967352 14.4817 BFGS: 187 14:16:30 1717.656231 14.4604 BFGS: 188 14:16:31 1715.354419 14.4392 BFGS: 189 14:16:32 1713.061809 14.4179 BFGS: 190 14:16:32 1710.778290 14.3967 BFGS: 191 14:16:33 1708.503750 14.3755 BFGS: 192 14:16:33 1706.238072 14.3544 BFGS: 193 14:16:34 1703.981141 14.3332 BFGS: 194 14:16:35 1701.732836 14.3121 BFGS: 195 14:16:36 1699.493037 14.2910 BFGS: 196 14:16:37 1697.261622 14.2699 BFGS: 197 14:16:38 1695.038469 14.2488 BFGS: 198 14:16:38 1692.823454 14.2277 BFGS: 199 14:16:39 1690.616452 14.2067 BFGS: 200 14:16:40 1688.417338 14.1857 BFGS: 201 14:16:41 1686.225989 14.1647 BFGS: 202 14:16:42 1684.042278 14.1437 BFGS: 203 14:16:43 1681.866082 14.1228 BFGS: 204 14:16:43 1679.697277 14.1019 BFGS: 205 14:16:44 1677.535738 14.0809 BFGS: 206 14:16:45 1675.381342 14.0601 BFGS: 207 14:16:45 1673.233967 14.0392 BFGS: 208 14:16:46 1671.093493 14.0184 BFGS: 209 14:16:47 1668.959798 13.9975 BFGS: 210 14:16:47 1666.832764 13.9767 BFGS: 211 14:16:48 1664.712272 13.9560 BFGS: 212 14:16:48 1662.598207 13.9352 BFGS: 213 14:16:49 1660.490454 13.9145 BFGS: 214 14:16:49 1658.388898 13.8938 BFGS: 215 14:16:50 1656.293405 13.8736 BFGS: 216 14:16:51 1654.203830 13.8535 BFGS: 217 14:16:52 1652.120069 13.8335 BFGS: 218 14:16:52 1650.042016 13.8135 BFGS: 219 14:16:53 1647.969564 13.7935 BFGS: 220 14:16:54 1645.902611 13.7735 BFGS: 221 14:16:55 1643.841054 13.7536 BFGS: 222 14:16:56 1641.784795 13.7337 BFGS: 223 14:16:57 1639.733735 13.7138 BFGS: 224 14:16:58 1637.687778 13.6940 BFGS: 225 14:16:58 1635.646831 13.6741 BFGS: 226 14:16:59 1633.610800 13.6543 BFGS: 227 14:17:00 1631.579597 13.6345 BFGS: 228 14:17:00 1629.553133 13.6147 BFGS: 229 14:17:01 1627.531322 13.5950 BFGS: 230 14:17:02 1625.514079 13.5753 BFGS: 231 14:17:03 1623.501322 13.5556 BFGS: 232 14:17:04 1621.492971 13.5359 BFGS: 233 14:17:05 1619.488947 13.5163 BFGS: 234 14:17:06 1617.489175 13.4966 BFGS: 235 14:17:07 1615.493579 13.4770 BFGS: 236 14:17:08 1613.502088 13.4574 BFGS: 237 14:17:08 1611.514629 13.4379 BFGS: 238 14:17:08 1609.531135 13.4183 BFGS: 239 14:17:08 1607.551538 13.3988 BFGS: 240 14:17:09 1605.575772 13.3793 BFGS: 241 14:17:09 1603.603776 13.3599 BFGS: 242 14:17:10 1601.635485 13.3404 BFGS: 243 14:17:10 1599.670842 13.3210 BFGS: 244 14:17:11 1597.709787 13.3016 BFGS: 245 14:17:12 1595.752264 13.2822 BFGS: 246 14:17:13 1593.798217 13.2629 BFGS: 247 14:17:14 1591.847594 13.2436 BFGS: 248 14:17:14 1589.900311 13.2248 BFGS: 249 14:17:15 1587.956498 13.2064 BFGS: 250 14:17:16 1586.016272 13.1880 BFGS: 251 14:17:17 1584.079569 13.1696 BFGS: 252 14:17:17 1582.146327 13.1512 BFGS: 253 14:17:18 1580.216486 13.1329 BFGS: 254 14:17:19 1578.289989 13.1146 BFGS: 255 14:17:20 1576.366781 13.0963 BFGS: 256 14:17:20 1574.446809 13.0780 BFGS: 257 14:17:21 1572.530021 13.0597 BFGS: 258 14:17:22 1570.616368 13.0415 BFGS: 259 14:17:23 1568.705802 13.0233 BFGS: 260 14:17:24 1566.798278 13.0051 BFGS: 261 14:17:24 1564.893751 12.9869 BFGS: 262 14:17:25 1562.992179 12.9687 BFGS: 263 14:17:26 1561.093521 12.9506 BFGS: 264 14:17:27 1559.197737 12.9325 BFGS: 265 14:17:28 1557.304790 12.9144 BFGS: 266 14:17:28 1555.414641 12.8963 BFGS: 267 14:17:29 1553.527257 12.8782 BFGS: 268 14:17:30 1551.642602 12.8602 BFGS: 269 14:17:31 1549.760644 12.8422 BFGS: 270 14:17:31 1547.881352 12.8242 BFGS: 271 14:17:32 1546.004695 12.8062 BFGS: 272 14:17:33 1544.130643 12.7882 BFGS: 273 14:17:33 1542.259169 12.7703 BFGS: 274 14:17:34 1540.390245 12.7523 BFGS: 275 14:17:35 1538.523845 12.7344 BFGS: 276 14:17:35 1536.659944 12.7165 BFGS: 277 14:17:36 1534.798517 12.6986 BFGS: 278 14:17:37 1532.939542 12.6808 BFGS: 279 14:17:37 1531.082996 12.6630 BFGS: 280 14:17:38 1529.228857 12.6451 BFGS: 281 14:17:39 1527.377106 12.6273 BFGS: 282 14:17:40 1525.527722 12.6095 BFGS: 283 14:17:40 1523.680685 12.5918 BFGS: 284 14:17:41 1521.835979 12.5740 BFGS: 285 14:17:42 1519.993585 12.5563 BFGS: 286 14:17:43 1518.153486 12.5386 BFGS: 287 14:17:43 1516.315666 12.5209 BFGS: 288 14:17:44 1514.480111 12.5032 BFGS: 289 14:17:44 1512.646805 12.4856 BFGS: 290 14:17:45 1510.815734 12.4679 BFGS: 291 14:17:45 1508.986884 12.4503 BFGS: 292 14:17:46 1507.160243 12.4327 BFGS: 293 14:17:47 1505.335798 12.4151 BFGS: 294 14:17:48 1503.513538 12.3975 BFGS: 295 14:17:48 1501.693451 12.3800 BFGS: 296 14:17:49 1499.875526 12.3624 BFGS: 297 14:17:50 1498.059753 12.3449 BFGS: 298 14:17:51 1496.246122 12.3274 BFGS: 299 14:17:51 1494.434625 12.3099 BFGS: 300 14:17:52 1492.625252 12.2925 BFGS: 301 14:17:53 1490.817995 12.2750 BFGS: 302 14:17:54 1489.012845 12.2576 BFGS: 303 14:17:55 1487.209796 12.2402 BFGS: 304 14:17:56 1485.408840 12.2228 BFGS: 305 14:17:57 1483.609971 12.2054 BFGS: 306 14:17:57 1481.813181 12.1880 BFGS: 307 14:17:58 1480.018466 12.1707 BFGS: 308 14:17:59 1478.225818 12.1534 BFGS: 309 14:18:00 1476.435233 12.1361 BFGS: 310 14:18:01 1474.646707 12.1188 BFGS: 311 14:18:01 1472.860233 12.1015 BFGS: 312 14:18:02 1471.075808 12.0842 BFGS: 313 14:18:03 1469.293427 12.0670 BFGS: 314 14:18:04 1467.513087 12.0498 BFGS: 315 14:18:04 1465.734784 12.0326 BFGS: 316 14:18:05 1463.958515 12.0154 BFGS: 317 14:18:06 1462.184276 11.9982 BFGS: 318 14:18:06 1460.412065 11.9811 BFGS: 319 14:18:07 1458.641874 11.9641 BFGS: 320 14:18:08 1456.873568 11.9478 BFGS: 321 14:18:08 1455.107022 11.9315 BFGS: 322 14:18:09 1453.342244 11.9152 BFGS: 323 14:18:10 1451.579243 11.8989 BFGS: 324 14:18:10 1449.818025 11.8826 BFGS: 325 14:18:11 1448.058599 11.8663 BFGS: 326 14:18:12 1446.300972 11.8500 BFGS: 327 14:18:12 1444.545150 11.8338 BFGS: 328 14:18:13 1442.791140 11.8176 BFGS: 329 14:18:14 1441.038949 11.8013 BFGS: 330 14:18:14 1439.288582 11.7851 BFGS: 331 14:18:15 1437.540046 11.7689 BFGS: 332 14:18:16 1435.793346 11.7528 BFGS: 333 14:18:16 1434.048487 11.7366 BFGS: 334 14:18:17 1432.305476 11.7204 BFGS: 335 14:18:18 1430.564317 11.7043 BFGS: 336 14:18:19 1428.825015 11.6882 BFGS: 337 14:18:20 1427.087576 11.6721 BFGS: 338 14:18:20 1425.352004 11.6560 BFGS: 339 14:18:21 1423.618304 11.6399 BFGS: 340 14:18:22 1421.886480 11.6238 BFGS: 341 14:18:23 1420.156538 11.6077 BFGS: 342 14:18:24 1418.428482 11.5917 BFGS: 343 14:18:25 1416.702316 11.5757 BFGS: 344 14:18:25 1414.978044 11.5596 BFGS: 345 14:18:26 1413.255671 11.5436 BFGS: 346 14:18:27 1411.535201 11.5276 BFGS: 347 14:18:28 1409.816638 11.5117 BFGS: 348 14:18:29 1408.099985 11.4957 BFGS: 349 14:18:29 1406.385248 11.4798 BFGS: 350 14:18:30 1404.672429 11.4638 BFGS: 351 14:18:31 1402.961533 11.4479 BFGS: 352 14:18:32 1401.252563 11.4320 BFGS: 353 14:18:32 1399.545524 11.4161 BFGS: 354 14:18:34 1397.840418 11.4002 BFGS: 355 14:18:34 1396.137249 11.3844 BFGS: 356 14:18:35 1394.436022 11.3685 BFGS: 357 14:18:35 1392.736739 11.3527 BFGS: 358 14:18:36 1391.039403 11.3369 BFGS: 359 14:18:37 1389.344019 11.3210 BFGS: 360 14:18:37 1387.650590 11.3053 BFGS: 361 14:18:38 1385.959118 11.2895 BFGS: 362 14:18:39 1384.269608 11.2737 BFGS: 363 14:18:39 1382.582061 11.2580 BFGS: 364 14:18:40 1380.896483 11.2422 BFGS: 365 14:18:40 1379.212874 11.2265 BFGS: 366 14:18:41 1377.531240 11.2108 BFGS: 367 14:18:42 1375.851581 11.1951 BFGS: 368 14:18:43 1374.173902 11.1794 BFGS: 369 14:18:43 1372.498206 11.1637 BFGS: 370 14:18:44 1370.824495 11.1481 BFGS: 371 14:18:45 1369.152771 11.1325 BFGS: 372 14:18:46 1367.483039 11.1168 BFGS: 373 14:18:46 1365.815300 11.1012 BFGS: 374 14:18:47 1364.149557 11.0856 BFGS: 375 14:18:47 1362.485812 11.0700 BFGS: 376 14:18:48 1360.824069 11.0545 BFGS: 377 14:18:50 1359.164330 11.0389 BFGS: 378 14:18:51 1357.506596 11.0234 BFGS: 379 14:18:52 1355.850872 11.0079 BFGS: 380 14:18:53 1354.197158 10.9923 BFGS: 381 14:18:54 1352.545458 10.9769 BFGS: 382 14:18:55 1350.895774 10.9614 BFGS: 383 14:18:56 1349.248107 10.9459 BFGS: 384 14:18:56 1347.602460 10.9305 BFGS: 385 14:18:57 1345.958836 10.9150 BFGS: 386 14:18:58 1344.317236 10.8996 BFGS: 387 14:18:58 1342.677662 10.8842 BFGS: 388 14:18:59 1341.040117 10.8688 BFGS: 389 14:19:00 1339.404602 10.8534 BFGS: 390 14:19:01 1337.771120 10.8380 BFGS: 391 14:19:02 1336.139672 10.8227 BFGS: 392 14:19:03 1334.510259 10.8073 BFGS: 393 14:19:04 1332.882868 10.7923 BFGS: 394 14:19:05 1331.257523 10.7773 BFGS: 395 14:19:06 1329.634233 10.7623 BFGS: 396 14:19:07 1328.012999 10.7473 BFGS: 397 14:19:07 1326.393824 10.7323 BFGS: 398 14:19:08 1324.776706 10.7174 BFGS: 399 14:19:09 1323.161649 10.7024 BFGS: 400 14:19:09 1321.548652 10.6875 BFGS: 401 14:19:10 1319.937717 10.6726 BFGS: 402 14:19:11 1318.328844 10.6577 BFGS: 403 14:19:12 1316.722033 10.6428 BFGS: 404 14:19:12 1315.117285 10.6280 BFGS: 405 14:19:13 1313.514601 10.6131 BFGS: 406 14:19:14 1311.913981 10.5983 BFGS: 407 14:19:15 1310.315425 10.5835 BFGS: 408 14:19:16 1308.718934 10.5686 BFGS: 409 14:19:17 1307.124508 10.5539 BFGS: 410 14:19:18 1305.532146 10.5391 BFGS: 411 14:19:19 1303.941849 10.5243 BFGS: 412 14:19:19 1302.353618 10.5095 BFGS: 413 14:19:20 1300.767452 10.4948 BFGS: 414 14:19:21 1299.183348 10.4801 BFGS: 415 14:19:21 1297.601306 10.4655 BFGS: 416 14:19:22 1296.021325 10.4508 BFGS: 417 14:19:22 1294.443405 10.4362 BFGS: 418 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14:40:34 141.675413 0.9589 BFGS: 2476 14:40:34 141.532232 0.9579 BFGS: 2477 14:40:35 141.389193 0.9570 BFGS: 2478 14:40:35 141.246295 0.9561 BFGS: 2479 14:40:36 141.103538 0.9551 BFGS: 2480 14:40:36 140.960923 0.9542 BFGS: 2481 14:40:36 140.818449 0.9532 BFGS: 2482 14:40:37 140.676116 0.9523 BFGS: 2483 14:40:38 140.533923 0.9514 BFGS: 2484 14:40:38 140.391872 0.9504 BFGS: 2485 14:40:38 140.249961 0.9495 BFGS: 2486 14:40:38 140.108192 0.9486 BFGS: 2487 14:40:39 139.966562 0.9477 BFGS: 2488 14:40:39 139.825073 0.9467 BFGS: 2489 14:40:40 139.683725 0.9458 BFGS: 2490 14:40:40 139.542517 0.9449 BFGS: 2491 14:40:41 139.401449 0.9439 BFGS: 2492 14:40:41 139.260521 0.9430 BFGS: 2493 14:40:41 139.119733 0.9421 BFGS: 2494 14:40:42 138.979086 0.9412 BFGS: 2495 14:40:42 138.838578 0.9402 BFGS: 2496 14:40:43 138.698209 0.9393 BFGS: 2497 14:40:43 138.557981 0.9384 BFGS: 2498 14:40:44 138.417892 0.9375 BFGS: 2499 14:40:44 138.277942 0.9365 BFGS: 2500 14:40:44 138.138132 0.9356 BFGS: 2501 14:40:45 137.998461 0.9347 BFGS: 2502 14:40:45 137.858930 0.9338 BFGS: 2503 14:40:46 137.719537 0.9328 BFGS: 2504 14:40:46 137.580284 0.9319 BFGS: 2505 14:40:47 137.441169 0.9310 BFGS: 2506 14:40:47 137.302193 0.9301 BFGS: 2507 14:40:48 137.163356 0.9292 BFGS: 2508 14:40:48 137.024658 0.9282 BFGS: 2509 14:40:49 136.886098 0.9273 BFGS: 2510 14:40:49 136.747677 0.9264 BFGS: 2511 14:40:50 136.609394 0.9255 BFGS: 2512 14:40:50 136.471249 0.9246 BFGS: 2513 14:40:51 136.333243 0.9236 BFGS: 2514 14:40:51 136.195375 0.9227 BFGS: 2515 14:40:51 136.057644 0.9218 BFGS: 2516 14:40:52 135.920052 0.9209 BFGS: 2517 14:40:52 135.782598 0.9200 BFGS: 2518 14:40:53 135.645281 0.9191 BFGS: 2519 14:40:54 135.508102 0.9182 BFGS: 2520 14:40:54 135.371060 0.9173 BFGS: 2521 14:40:55 135.234156 0.9163 BFGS: 2522 14:40:55 135.097390 0.9154 BFGS: 2523 14:40:55 134.960760 0.9145 BFGS: 2524 14:40:56 134.824268 0.9136 BFGS: 2525 14:40:56 134.687913 0.9127 BFGS: 2526 14:40:57 134.551695 0.9118 BFGS: 2527 14:40:57 134.415614 0.9109 BFGS: 2528 14:40:58 134.279670 0.9100 BFGS: 2529 14:40:58 134.143863 0.9091 BFGS: 2530 14:40:59 134.008192 0.9082 BFGS: 2531 14:40:59 133.872658 0.9072 BFGS: 2532 14:41:00 133.737260 0.9063 BFGS: 2533 14:41:01 133.601999 0.9054 BFGS: 2534 14:41:01 133.466874 0.9045 BFGS: 2535 14:41:02 133.331886 0.9036 BFGS: 2536 14:41:03 133.197033 0.9027 BFGS: 2537 14:41:03 133.062317 0.9018 BFGS: 2538 14:41:04 132.927737 0.9009 BFGS: 2539 14:41:04 132.793292 0.9000 BFGS: 2540 14:41:05 132.658984 0.8991 BFGS: 2541 14:41:05 132.524811 0.8982 BFGS: 2542 14:41:05 132.390773 0.8973 BFGS: 2543 14:41:06 132.256872 0.8964 BFGS: 2544 14:41:07 132.123105 0.8955 BFGS: 2545 14:41:08 131.989474 0.8946 BFGS: 2546 14:41:08 131.855979 0.8937 BFGS: 2547 14:41:09 131.722618 0.8928 BFGS: 2548 14:41:09 131.589393 0.8919 BFGS: 2549 14:41:10 131.456303 0.8910 BFGS: 2550 14:41:11 131.323347 0.8901 BFGS: 2551 14:41:11 131.190527 0.8892 BFGS: 2552 14:41:12 131.057841 0.8883 BFGS: 2553 14:41:12 130.925290 0.8874 BFGS: 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14:51:13 23.844678 0.2077 BFGS: 4086 14:51:13 23.812656 0.2075 BFGS: 4087 14:51:13 23.780661 0.2073 BFGS: 4088 14:51:13 23.748692 0.2071 BFGS: 4089 14:51:13 23.716749 0.2069 BFGS: 4090 14:51:13 23.684832 0.2067 BFGS: 4091 14:51:14 23.652940 0.2065 BFGS: 4092 14:51:14 23.621075 0.2063 BFGS: 4093 14:51:14 23.589235 0.2061 BFGS: 4094 14:51:14 23.557422 0.2059 BFGS: 4095 14:51:14 23.525634 0.2057 BFGS: 4096 14:51:14 23.493872 0.2055 BFGS: 4097 14:51:14 23.462135 0.2053 BFGS: 4098 14:51:14 23.430425 0.2051 BFGS: 4099 14:51:14 23.398740 0.2049 BFGS: 4100 14:51:15 23.367081 0.2047 BFGS: 4101 14:51:15 23.335447 0.2045 BFGS: 4102 14:51:15 23.303839 0.2043 BFGS: 4103 14:51:15 23.272257 0.2041 BFGS: 4104 14:51:15 23.240700 0.2039 BFGS: 4105 14:51:15 23.209169 0.2037 BFGS: 4106 14:51:15 23.177664 0.2035 BFGS: 4107 14:51:15 23.146184 0.2033 BFGS: 4108 14:51:15 23.114729 0.2031 BFGS: 4109 14:51:16 23.083300 0.2029 BFGS: 4110 14:51:16 23.051896 0.2027 BFGS: 4111 14:51:16 23.020518 0.2025 BFGS: 4112 14:51:16 22.989165 0.2023 BFGS: 4113 14:51:16 22.957838 0.2021 BFGS: 4114 14:51:16 22.926536 0.2019 BFGS: 4115 14:51:16 22.895259 0.2017 BFGS: 4116 14:51:16 22.864008 0.2015 BFGS: 4117 14:51:16 22.832781 0.2013 BFGS: 4118 14:51:16 22.801580 0.2011 BFGS: 4119 14:51:16 22.770405 0.2009 BFGS: 4120 14:51:17 22.739254 0.2007 BFGS: 4121 14:51:17 22.708129 0.2005 BFGS: 4122 14:51:17 22.677028 0.2003 BFGS: 4123 14:51:17 22.645953 0.2001 BFGS: 4124 14:51:17 22.614903 0.1999 BFGS: 4125 14:51:17 22.583878 0.1997 BFGS: 4126 14:51:17 22.552879 0.1995 BFGS: 4127 14:51:17 22.521904 0.1993 BFGS: 4128 14:51:17 22.490954 0.1991 BFGS: 4129 14:51:18 22.460029 0.1989 BFGS: 4130 14:51:18 22.429129 0.1987 BFGS: 4131 14:51:18 22.398254 0.1985 BFGS: 4132 14:51:18 22.367404 0.1983 BFGS: 4133 14:51:18 22.336579 0.1981 BFGS: 4134 14:51:18 22.305779 0.1979 BFGS: 4135 14:51:18 22.275004 0.1977 BFGS: 4136 14:51:18 22.244253 0.1975 BFGS: 4137 14:51:18 22.213527 0.1973 BFGS: 4138 14:51:19 22.182826 0.1971 BFGS: 4139 14:51:19 22.152150 0.1969 BFGS: 4140 14:51:19 22.121498 0.1967 BFGS: 4141 14:51:19 22.090872 0.1965 BFGS: 4142 14:51:19 22.060270 0.1964 BFGS: 4143 14:51:19 22.029692 0.1962 BFGS: 4144 14:51:19 21.999139 0.1960 BFGS: 4145 14:51:19 21.968611 0.1958 BFGS: 4146 14:51:19 21.938108 0.1956 BFGS: 4147 14:51:20 21.907629 0.1954 BFGS: 4148 14:51:20 21.877174 0.1952 BFGS: 4149 14:51:20 21.846744 0.1950 BFGS: 4150 14:51:20 21.816339 0.1948 BFGS: 4151 14:51:20 21.785958 0.1946 BFGS: 4152 14:51:20 21.755602 0.1944 BFGS: 4153 14:51:20 21.725270 0.1942 BFGS: 4154 14:51:21 21.694962 0.1940 BFGS: 4155 14:51:21 21.664679 0.1938 BFGS: 4156 14:51:21 21.634420 0.1936 BFGS: 4157 14:51:21 21.604186 0.1934 BFGS: 4158 14:51:21 21.573976 0.1932 BFGS: 4159 14:51:21 21.543790 0.1931 BFGS: 4160 14:51:21 21.513629 0.1929 BFGS: 4161 14:51:22 21.483492 0.1927 BFGS: 4162 14:51:22 21.453379 0.1925 BFGS: 4163 14:51:22 21.423290 0.1923 BFGS: 4164 14:51:22 21.393226 0.1921 BFGS: 4165 14:51:22 21.363185 0.1919 BFGS: 4166 14:51:22 21.333169 0.1917 BFGS: 4167 14:51:22 21.303177 0.1915 BFGS: 4168 14:51:22 21.273210 0.1913 BFGS: 4169 14:51:23 21.243266 0.1911 BFGS: 4170 14:51:23 21.213346 0.1909 BFGS: 4171 14:51:23 21.183451 0.1908 BFGS: 4172 14:51:23 21.153579 0.1906 BFGS: 4173 14:51:23 21.123732 0.1904 BFGS: 4174 14:51:23 21.093909 0.1902 BFGS: 4175 14:51:23 21.064109 0.1900 BFGS: 4176 14:51:23 21.034334 0.1898 BFGS: 4177 14:51:24 21.004582 0.1896 BFGS: 4178 14:51:24 20.974855 0.1894 BFGS: 4179 14:51:24 20.945151 0.1892 BFGS: 4180 14:51:24 20.915472 0.1890 BFGS: 4181 14:51:24 20.885816 0.1889 BFGS: 4182 14:51:24 20.856184 0.1887 BFGS: 4183 14:51:24 20.826576 0.1885 BFGS: 4184 14:51:25 20.796991 0.1883 BFGS: 4185 14:51:25 20.767431 0.1881 BFGS: 4186 14:51:25 20.737894 0.1879 BFGS: 4187 14:51:25 20.708381 0.1877 BFGS: 4188 14:51:25 20.678892 0.1875 BFGS: 4189 14:51:25 20.649426 0.1873 BFGS: 4190 14:51:25 20.619984 0.1872 BFGS: 4191 14:51:25 20.590566 0.1870 BFGS: 4192 14:51:25 20.561171 0.1868 BFGS: 4193 14:51:25 20.531801 0.1866 BFGS: 4194 14:51:26 20.502453 0.1864 BFGS: 4195 14:51:26 20.473130 0.1862 BFGS: 4196 14:51:26 20.443830 0.1860 BFGS: 4197 14:51:26 20.414553 0.1858 BFGS: 4198 14:51:26 20.385300 0.1857 BFGS: 4199 14:51:26 20.356071 0.1855 BFGS: 4200 14:51:26 20.326865 0.1853 BFGS: 4201 14:51:26 20.297683 0.1851 BFGS: 4202 14:51:26 20.268524 0.1849 BFGS: 4203 14:51:26 20.239388 0.1847 BFGS: 4204 14:51:27 20.210276 0.1845 BFGS: 4205 14:51:27 20.181188 0.1843 BFGS: 4206 14:51:27 20.152123 0.1842 BFGS: 4207 14:51:27 20.123081 0.1840 BFGS: 4208 14:51:27 20.094063 0.1838 BFGS: 4209 14:51:27 20.065068 0.1836 BFGS: 4210 14:51:27 20.036096 0.1834 BFGS: 4211 14:51:27 20.007147 0.1832 BFGS: 4212 14:51:27 19.978222 0.1830 BFGS: 4213 14:51:28 19.949321 0.1829 BFGS: 4214 14:51:28 19.920442 0.1827 BFGS: 4215 14:51:28 19.891587 0.1825 BFGS: 4216 14:51:28 19.862755 0.1823 BFGS: 4217 14:51:28 19.833946 0.1821 BFGS: 4218 14:51:28 19.805160 0.1819 BFGS: 4219 14:51:28 19.776398 0.1818 BFGS: 4220 14:51:28 19.747659 0.1816 BFGS: 4221 14:51:28 19.718942 0.1814 BFGS: 4222 14:51:28 19.690249 0.1812 BFGS: 4223 14:51:28 19.661579 0.1810 BFGS: 4224 14:51:29 19.632933 0.1808 BFGS: 4225 14:51:29 19.604309 0.1806 BFGS: 4226 14:51:29 19.575708 0.1805 BFGS: 4227 14:51:29 19.547131 0.1803 BFGS: 4228 14:51:29 19.518576 0.1801 BFGS: 4229 14:51:29 19.490044 0.1799 BFGS: 4230 14:51:29 19.461536 0.1797 BFGS: 4231 14:51:29 19.433050 0.1795 BFGS: 4232 14:51:29 19.404588 0.1794 BFGS: 4233 14:51:30 19.376148 0.1792 BFGS: 4234 14:51:30 19.347731 0.1790 BFGS: 4235 14:51:30 19.319337 0.1788 BFGS: 4236 14:51:30 19.290966 0.1786 BFGS: 4237 14:51:30 19.262618 0.1785 BFGS: 4238 14:51:30 19.234293 0.1783 BFGS: 4239 14:51:30 19.205991 0.1781 BFGS: 4240 14:51:30 19.177711 0.1779 BFGS: 4241 14:51:30 19.149455 0.1777 BFGS: 4242 14:51:31 19.121221 0.1775 BFGS: 4243 14:51:31 19.093010 0.1774 BFGS: 4244 14:51:31 19.064821 0.1772 BFGS: 4245 14:51:31 19.036656 0.1770 BFGS: 4246 14:51:31 19.008513 0.1768 BFGS: 4247 14:51:31 18.980393 0.1766 BFGS: 4248 14:51:31 18.952296 0.1765 BFGS: 4249 14:51:31 18.924221 0.1763 BFGS: 4250 14:51:31 18.896169 0.1761 BFGS: 4251 14:51:31 18.868140 0.1759 BFGS: 4252 14:51:32 18.840133 0.1757 BFGS: 4253 14:51:32 18.812149 0.1756 BFGS: 4254 14:51:32 18.784188 0.1754 BFGS: 4255 14:51:32 18.756249 0.1752 BFGS: 4256 14:51:32 18.728333 0.1750 BFGS: 4257 14:51:32 18.700439 0.1748 BFGS: 4258 14:51:32 18.672568 0.1747 BFGS: 4259 14:51:32 18.644720 0.1745 BFGS: 4260 14:51:32 18.616894 0.1743 BFGS: 4261 14:51:32 18.589090 0.1741 BFGS: 4262 14:51:33 18.561309 0.1739 BFGS: 4263 14:51:33 18.533551 0.1738 BFGS: 4264 14:51:33 18.505815 0.1736 BFGS: 4265 14:51:33 18.478101 0.1734 BFGS: 4266 14:51:33 18.450410 0.1732 BFGS: 4267 14:51:33 18.422742 0.1730 BFGS: 4268 14:51:33 18.395095 0.1729 BFGS: 4269 14:51:33 18.367472 0.1727 BFGS: 4270 14:51:33 18.339870 0.1725 BFGS: 4271 14:51:34 18.312291 0.1723 BFGS: 4272 14:51:34 18.284734 0.1722 BFGS: 4273 14:51:34 18.257200 0.1720 BFGS: 4274 14:51:34 18.229688 0.1718 BFGS: 4275 14:51:34 18.202198 0.1716 BFGS: 4276 14:51:34 18.174731 0.1714 BFGS: 4277 14:51:34 18.147286 0.1713 BFGS: 4278 14:51:34 18.119863 0.1711 BFGS: 4279 14:51:34 18.092463 0.1709 BFGS: 4280 14:51:34 18.065085 0.1707 BFGS: 4281 14:51:35 18.037729 0.1706 BFGS: 4282 14:51:35 18.010395 0.1704 BFGS: 4283 14:51:35 17.983083 0.1702 BFGS: 4284 14:51:35 17.955794 0.1700 BFGS: 4285 14:51:35 17.928527 0.1699 BFGS: 4286 14:51:35 17.901282 0.1697 BFGS: 4287 14:51:35 17.874059 0.1695 BFGS: 4288 14:51:35 17.846858 0.1693 BFGS: 4289 14:51:35 17.819680 0.1692 BFGS: 4290 14:51:35 17.792523 0.1690 BFGS: 4291 14:51:36 17.765389 0.1688 BFGS: 4292 14:51:36 17.738277 0.1686 BFGS: 4293 14:51:36 17.711187 0.1684 BFGS: 4294 14:51:36 17.684119 0.1683 BFGS: 4295 14:51:36 17.657073 0.1681 BFGS: 4296 14:51:36 17.630049 0.1679 BFGS: 4297 14:51:36 17.603047 0.1677 BFGS: 4298 14:51:36 17.576067 0.1676 BFGS: 4299 14:51:36 17.549109 0.1674 BFGS: 4300 14:51:37 17.522173 0.1672 BFGS: 4301 14:51:37 17.495259 0.1671 BFGS: 4302 14:51:37 17.468367 0.1669 BFGS: 4303 14:51:37 17.441497 0.1667 BFGS: 4304 14:51:37 17.414649 0.1665 BFGS: 4305 14:51:37 17.387823 0.1664 BFGS: 4306 14:51:37 17.361019 0.1662 BFGS: 4307 14:51:37 17.334237 0.1660 BFGS: 4308 14:51:37 17.307477 0.1658 BFGS: 4309 14:51:37 17.280738 0.1657 BFGS: 4310 14:51:38 17.254022 0.1655 BFGS: 4311 14:51:38 17.227327 0.1653 BFGS: 4312 14:51:38 17.200654 0.1651 BFGS: 4313 14:51:38 17.174003 0.1650 BFGS: 4314 14:51:38 17.147374 0.1648 BFGS: 4315 14:51:38 17.120767 0.1646 BFGS: 4316 14:51:38 17.094181 0.1644 BFGS: 4317 14:51:38 17.067618 0.1643 BFGS: 4318 14:51:38 17.041076 0.1641 BFGS: 4319 14:51:39 17.014556 0.1639 BFGS: 4320 14:51:39 16.988057 0.1638 BFGS: 4321 14:51:39 16.961580 0.1636 BFGS: 4322 14:51:39 16.935126 0.1634 BFGS: 4323 14:51:39 16.908692 0.1632 BFGS: 4324 14:51:39 16.882281 0.1631 BFGS: 4325 14:51:39 16.855891 0.1629 BFGS: 4326 14:51:39 16.829523 0.1627 BFGS: 4327 14:51:39 16.803177 0.1626 BFGS: 4328 14:51:39 16.776852 0.1624 BFGS: 4329 14:51:40 16.750549 0.1622 BFGS: 4330 14:51:40 16.724268 0.1620 BFGS: 4331 14:51:40 16.698008 0.1619 BFGS: 4332 14:51:40 16.671770 0.1617 BFGS: 4333 14:51:40 16.645554 0.1615 BFGS: 4334 14:51:40 16.619359 0.1614 BFGS: 4335 14:51:40 16.593185 0.1612 BFGS: 4336 14:51:40 16.567034 0.1610 BFGS: 4337 14:51:40 16.540904 0.1609 BFGS: 4338 14:51:40 16.514795 0.1607 BFGS: 4339 14:51:41 16.488708 0.1605 BFGS: 4340 14:51:41 16.462643 0.1603 BFGS: 4341 14:51:41 16.436599 0.1602 BFGS: 4342 14:51:41 16.410577 0.1600 BFGS: 4343 14:51:41 16.384576 0.1598 BFGS: 4344 14:51:41 16.358597 0.1597 BFGS: 4345 14:51:41 16.332639 0.1595 BFGS: 4346 14:51:41 16.306702 0.1593 BFGS: 4347 14:51:41 16.280788 0.1592 BFGS: 4348 14:51:42 16.254894 0.1590 BFGS: 4349 14:51:42 16.229022 0.1588 BFGS: 4350 14:51:42 16.203172 0.1586 BFGS: 4351 14:51:42 16.177343 0.1587 BFGS: 4352 14:51:42 16.151535 0.1587 BFGS: 4353 14:51:42 16.125749 0.1587 BFGS: 4354 14:51:42 16.099984 0.1588 BFGS: 4355 14:51:42 16.074241 0.1588 BFGS: 4356 14:51:42 16.048519 0.1588 BFGS: 4357 14:51:43 16.022818 0.1589 BFGS: 4358 14:51:43 15.997139 0.1589 BFGS: 4359 14:51:43 15.971481 0.1589 BFGS: 4360 14:51:43 15.945845 0.1589 BFGS: 4361 14:51:43 15.920230 0.1590 BFGS: 4362 14:51:43 15.894636 0.1590 BFGS: 4363 14:51:43 15.869063 0.1590 BFGS: 4364 14:51:43 15.843512 0.1591 BFGS: 4365 14:51:43 15.817982 0.1591 BFGS: 4366 14:51:43 15.792474 0.1591 BFGS: 4367 14:51:44 15.766986 0.1591 BFGS: 4368 14:51:44 15.741520 0.1592 BFGS: 4369 14:51:44 15.716076 0.1592 BFGS: 4370 14:51:44 15.690652 0.1592 BFGS: 4371 14:51:44 15.665250 0.1592 BFGS: 4372 14:51:44 15.639869 0.1593 BFGS: 4373 14:51:44 15.614509 0.1593 BFGS: 4374 14:51:45 15.589171 0.1593 BFGS: 4375 14:51:45 15.563853 0.1593 BFGS: 4376 14:51:45 15.538557 0.1594 BFGS: 4377 14:51:45 15.513282 0.1594 BFGS: 4378 14:51:45 15.488029 0.1594 BFGS: 4379 14:51:45 15.462796 0.1594 BFGS: 4380 14:51:45 15.437585 0.1595 BFGS: 4381 14:51:45 15.412395 0.1595 BFGS: 4382 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0.1401 BFGS: 4903 14:53:13 5.056891 0.1400 BFGS: 4904 14:53:13 5.042363 0.1399 BFGS: 4905 14:53:13 5.027855 0.1398 BFGS: 4906 14:53:13 5.013368 0.1397 BFGS: 4907 14:53:13 4.998901 0.1396 BFGS: 4908 14:53:13 4.984454 0.1396 BFGS: 4909 14:53:13 4.970029 0.1395 BFGS: 4910 14:53:14 4.955623 0.1394 BFGS: 4911 14:53:14 4.941238 0.1393 BFGS: 4912 14:53:14 4.926874 0.1392 BFGS: 4913 14:53:14 4.912530 0.1391 BFGS: 4914 14:53:14 4.898207 0.1390 BFGS: 4915 14:53:14 4.883904 0.1389 BFGS: 4916 14:53:14 4.869622 0.1388 BFGS: 4917 14:53:14 4.855360 0.1387 BFGS: 4918 14:53:14 4.841119 0.1386 BFGS: 4919 14:53:15 4.826898 0.1385 BFGS: 4920 14:53:15 4.812698 0.1384 BFGS: 4921 14:53:15 4.798518 0.1383 BFGS: 4922 14:53:15 4.784359 0.1382 BFGS: 4923 14:53:15 4.770221 0.1381 BFGS: 4924 14:53:15 4.756103 0.1380 BFGS: 4925 14:53:15 4.742005 0.1379 BFGS: 4926 14:53:15 4.727928 0.1378 BFGS: 4927 14:53:16 4.713872 0.1377 BFGS: 4928 14:53:16 4.699836 0.1376 BFGS: 4929 14:53:16 4.685820 0.1375 BFGS: 4930 14:53:16 4.671826 0.1374 BFGS: 4931 14:53:16 4.657851 0.1373 BFGS: 4932 14:53:16 4.643898 0.1372 BFGS: 4933 14:53:16 4.629964 0.1371 BFGS: 4934 14:53:16 4.616052 0.1370 BFGS: 4935 14:53:17 4.602160 0.1369 BFGS: 4936 14:53:17 4.588288 0.1368 BFGS: 4937 14:53:17 4.574437 0.1367 BFGS: 4938 14:53:17 4.560607 0.1366 BFGS: 4939 14:53:17 4.546797 0.1365 BFGS: 4940 14:53:17 4.533008 0.1364 BFGS: 4941 14:53:17 4.519240 0.1363 BFGS: 4942 14:53:18 4.505492 0.1362 BFGS: 4943 14:53:18 4.491764 0.1361 BFGS: 4944 14:53:18 4.478057 0.1360 BFGS: 4945 14:53:18 4.464371 0.1359 BFGS: 4946 14:53:18 4.450705 0.1358 BFGS: 4947 14:53:18 4.437060 0.1357 BFGS: 4948 14:53:18 4.423435 0.1356 BFGS: 4949 14:53:18 4.409831 0.1355 BFGS: 4950 14:53:19 4.396248 0.1354 BFGS: 4951 14:53:19 4.382685 0.1353 BFGS: 4952 14:53:19 4.369143 0.1352 BFGS: 4953 14:53:19 4.355622 0.1351 BFGS: 4954 14:53:19 4.342121 0.1349 BFGS: 4955 14:53:19 4.328640 0.1348 BFGS: 4956 14:53:19 4.315180 0.1347 BFGS: 4957 14:53:19 4.301741 0.1346 BFGS: 4958 14:53:20 4.288323 0.1345 BFGS: 4959 14:53:20 4.274925 0.1344 BFGS: 4960 14:53:20 4.261547 0.1343 BFGS: 4961 14:53:20 4.248191 0.1342 BFGS: 4962 14:53:20 4.234855 0.1341 BFGS: 4963 14:53:20 4.221539 0.1340 BFGS: 4964 14:53:20 4.208244 0.1339 BFGS: 4965 14:53:20 4.194970 0.1338 BFGS: 4966 14:53:21 4.181716 0.1337 BFGS: 4967 14:53:21 4.168484 0.1336 BFGS: 4968 14:53:21 4.155271 0.1335 BFGS: 4969 14:53:21 4.142080 0.1333 BFGS: 4970 14:53:21 4.128908 0.1332 BFGS: 4971 14:53:21 4.115758 0.1331 BFGS: 4972 14:53:21 4.102628 0.1330 BFGS: 4973 14:53:22 4.089519 0.1329 BFGS: 4974 14:53:22 4.076431 0.1328 BFGS: 4975 14:53:22 4.063363 0.1327 BFGS: 4976 14:53:22 4.050316 0.1326 BFGS: 4977 14:53:22 4.037289 0.1325 BFGS: 4978 14:53:22 4.024283 0.1324 BFGS: 4979 14:53:23 4.011298 0.1323 BFGS: 4980 14:53:23 3.998333 0.1321 BFGS: 4981 14:53:23 3.985390 0.1320 BFGS: 4982 14:53:23 3.972466 0.1319 BFGS: 4983 14:53:23 3.959564 0.1318 BFGS: 4984 14:53:23 3.946682 0.1317 BFGS: 4985 14:53:23 3.933821 0.1316 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0.1284 BFGS: 5014 14:53:28 3.569847 0.1283 BFGS: 5015 14:53:28 3.557607 0.1281 BFGS: 5016 14:53:28 3.545387 0.1280 BFGS: 5017 14:53:28 3.533189 0.1279 BFGS: 5018 14:53:28 3.521011 0.1278 BFGS: 5019 14:53:28 3.508854 0.1277 BFGS: 5020 14:53:28 3.496718 0.1275 BFGS: 5021 14:53:28 3.484602 0.1274 BFGS: 5022 14:53:29 3.472507 0.1273 BFGS: 5023 14:53:29 3.460433 0.1272 BFGS: 5024 14:53:29 3.448380 0.1271 BFGS: 5025 14:53:29 3.436347 0.1269 BFGS: 5026 14:53:29 3.424335 0.1268 BFGS: 5027 14:53:29 3.412344 0.1267 BFGS: 5028 14:53:29 3.400374 0.1266 BFGS: 5029 14:53:29 3.388424 0.1265 BFGS: 5030 14:53:30 3.376496 0.1263 BFGS: 5031 14:53:30 3.364588 0.1262 BFGS: 5032 14:53:30 3.352701 0.1261 BFGS: 5033 14:53:30 3.340834 0.1260 BFGS: 5034 14:53:30 3.328988 0.1259 BFGS: 5035 14:53:30 3.317164 0.1257 BFGS: 5036 14:53:30 3.305360 0.1256 BFGS: 5037 14:53:30 3.293576 0.1255 BFGS: 5038 14:53:30 3.281814 0.1254 BFGS: 5039 14:53:31 3.270072 0.1252 BFGS: 5040 14:53:31 3.258351 0.1251 BFGS: 5041 14:53:31 3.246651 0.1250 BFGS: 5042 14:53:31 3.234972 0.1249 BFGS: 5043 14:53:31 3.223313 0.1247 BFGS: 5044 14:53:31 3.211675 0.1246 BFGS: 5045 14:53:31 3.200059 0.1245 BFGS: 5046 14:53:31 3.188462 0.1244 BFGS: 5047 14:53:32 3.176887 0.1242 BFGS: 5048 14:53:32 3.165333 0.1241 BFGS: 5049 14:53:32 3.153799 0.1240 BFGS: 5050 14:53:32 3.142286 0.1239 BFGS: 5051 14:53:32 3.130794 0.1237 BFGS: 5052 14:53:32 3.119323 0.1236 BFGS: 5053 14:53:32 3.107872 0.1235 BFGS: 5054 14:53:32 3.096443 0.1234 BFGS: 5055 14:53:32 3.085034 0.1232 BFGS: 5056 14:53:33 3.073646 0.1231 BFGS: 5057 14:53:33 3.062279 0.1230 BFGS: 5058 14:53:33 3.050933 0.1229 BFGS: 5059 14:53:33 3.039607 0.1227 BFGS: 5060 14:53:33 3.028303 0.1226 BFGS: 5061 14:53:33 3.017019 0.1225 BFGS: 5062 14:53:33 3.005756 0.1223 BFGS: 5063 14:53:33 2.994514 0.1222 BFGS: 5064 14:53:33 2.983292 0.1221 BFGS: 5065 14:53:34 2.972092 0.1220 BFGS: 5066 14:53:34 2.960912 0.1218 BFGS: 5067 14:53:34 2.949754 0.1217 BFGS: 5068 14:53:34 2.938616 0.1216 BFGS: 5069 14:53:34 2.927499 0.1214 BFGS: 5070 14:53:34 2.916403 0.1213 BFGS: 5071 14:53:34 2.905327 0.1212 BFGS: 5072 14:53:34 2.894273 0.1210 BFGS: 5073 14:53:35 2.883239 0.1209 BFGS: 5074 14:53:35 2.872227 0.1208 BFGS: 5075 14:53:35 2.861235 0.1207 BFGS: 5076 14:53:35 2.850264 0.1205 BFGS: 5077 14:53:35 2.839314 0.1204 BFGS: 5078 14:53:35 2.828385 0.1203 BFGS: 5079 14:53:35 2.817476 0.1201 BFGS: 5080 14:53:35 2.806589 0.1200 BFGS: 5081 14:53:36 2.795722 0.1199 BFGS: 5082 14:53:36 2.784876 0.1197 BFGS: 5083 14:53:36 2.774052 0.1196 BFGS: 5084 14:53:36 2.763248 0.1195 BFGS: 5085 14:53:36 2.752465 0.1193 BFGS: 5086 14:53:36 2.741702 0.1192 BFGS: 5087 14:53:36 2.730961 0.1191 BFGS: 5088 14:53:36 2.720241 0.1189 BFGS: 5089 14:53:36 2.709541 0.1188 BFGS: 5090 14:53:37 2.698863 0.1187 BFGS: 5091 14:53:37 2.688205 0.1185 BFGS: 5092 14:53:37 2.677568 0.1184 BFGS: 5093 14:53:37 2.666952 0.1183 BFGS: 5094 14:53:37 2.656357 0.1181 BFGS: 5095 14:53:37 2.645783 0.1180 BFGS: 5096 14:53:37 2.635230 0.1178 BFGS: 5097 14:53:37 2.624698 0.1177 BFGS: 5098 14:53:38 2.614186 0.1176 BFGS: 5099 14:53:38 2.603696 0.1174 BFGS: 5100 14:53:38 2.593227 0.1173 BFGS: 5101 14:53:38 2.582778 0.1172 BFGS: 5102 14:53:38 2.572350 0.1170 BFGS: 5103 14:53:38 2.561944 0.1169 BFGS: 5104 14:53:38 2.551558 0.1168 BFGS: 5105 14:53:39 2.541193 0.1166 BFGS: 5106 14:53:39 2.530849 0.1165 BFGS: 5107 14:53:39 2.520526 0.1163 BFGS: 5108 14:53:39 2.510224 0.1162 BFGS: 5109 14:53:39 2.499943 0.1161 BFGS: 5110 14:53:39 2.489682 0.1159 BFGS: 5111 14:53:39 2.479443 0.1158 BFGS: 5112 14:53:39 2.469225 0.1156 BFGS: 5113 14:53:39 2.459027 0.1155 BFGS: 5114 14:53:40 2.448851 0.1154 BFGS: 5115 14:53:40 2.438695 0.1152 BFGS: 5116 14:53:40 2.428561 0.1151 BFGS: 5117 14:53:40 2.418447 0.1149 BFGS: 5118 14:53:40 2.408355 0.1148 BFGS: 5119 14:53:40 2.398283 0.1147 BFGS: 5120 14:53:40 2.388232 0.1145 BFGS: 5121 14:53:40 2.378202 0.1144 BFGS: 5122 14:53:41 2.368194 0.1142 BFGS: 5123 14:53:41 2.358206 0.1141 BFGS: 5124 14:53:41 2.348239 0.1140 BFGS: 5125 14:53:41 2.338293 0.1138 BFGS: 5126 14:53:41 2.328368 0.1137 BFGS: 5127 14:53:41 2.318464 0.1135 BFGS: 5128 14:53:41 2.308581 0.1134 BFGS: 5129 14:53:41 2.298719 0.1132 BFGS: 5130 14:53:42 2.288878 0.1131 BFGS: 5131 14:53:42 2.279058 0.1129 BFGS: 5132 14:53:42 2.269259 0.1128 BFGS: 5133 14:53:42 2.259480 0.1127 BFGS: 5134 14:53:42 2.249723 0.1125 BFGS: 5135 14:53:42 2.239987 0.1124 BFGS: 5136 14:53:42 2.230272 0.1122 BFGS: 5137 14:53:42 2.220578 0.1121 BFGS: 5138 14:53:43 2.210905 0.1119 BFGS: 5139 14:53:43 2.201252 0.1118 BFGS: 5140 14:53:43 2.191621 0.1116 BFGS: 5141 14:53:43 2.182011 0.1115 BFGS: 5142 14:53:43 2.172422 0.1114 BFGS: 5143 14:53:43 2.162853 0.1112 BFGS: 5144 14:53:43 2.153306 0.1111 BFGS: 5145 14:53:44 2.143780 0.1109 BFGS: 5146 14:53:44 2.134275 0.1108 BFGS: 5147 14:53:44 2.124791 0.1106 BFGS: 5148 14:53:44 2.115327 0.1105 BFGS: 5149 14:53:44 2.105885 0.1103 BFGS: 5150 14:53:44 2.096464 0.1102 BFGS: 5151 14:53:44 2.087064 0.1100 BFGS: 5152 14:53:44 2.077685 0.1099 BFGS: 5153 14:53:44 2.068327 0.1097 BFGS: 5154 14:53:45 2.058990 0.1096 BFGS: 5155 14:53:45 2.049674 0.1094 BFGS: 5156 14:53:45 2.040379 0.1093 BFGS: 5157 14:53:45 2.031105 0.1091 BFGS: 5158 14:53:45 2.021852 0.1090 BFGS: 5159 14:53:45 2.012620 0.1088 BFGS: 5160 14:53:45 2.003409 0.1087 BFGS: 5161 14:53:46 1.994219 0.1085 BFGS: 5162 14:53:46 1.985050 0.1084 BFGS: 5163 14:53:46 1.975902 0.1082 BFGS: 5164 14:53:46 1.966775 0.1081 BFGS: 5165 14:53:46 1.957669 0.1079 BFGS: 5166 14:53:46 1.948585 0.1078 BFGS: 5167 14:53:46 1.939521 0.1076 BFGS: 5168 14:53:47 1.930478 0.1075 BFGS: 5169 14:53:47 1.921457 0.1073 BFGS: 5170 14:53:47 1.912456 0.1072 BFGS: 5171 14:53:47 1.903477 0.1070 BFGS: 5172 14:53:47 1.894518 0.1069 BFGS: 5173 14:53:47 1.885581 0.1067 BFGS: 5174 14:53:47 1.876665 0.1065 BFGS: 5175 14:53:47 1.867769 0.1064 BFGS: 5176 14:53:48 1.858895 0.1062 BFGS: 5177 14:53:48 1.850042 0.1061 BFGS: 5178 14:53:48 1.841210 0.1059 BFGS: 5179 14:53:48 1.832399 0.1058 BFGS: 5180 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BFGS: 5541 14:55:44 0.035447 0.0314 BFGS: 5542 14:55:44 0.034337 0.0311 BFGS: 5543 14:55:44 0.033248 0.0308 BFGS: 5544 14:55:45 0.032180 0.0306 BFGS: 5545 14:55:45 0.031133 0.0303 BFGS: 5546 14:55:45 0.030107 0.0300 BFGS: 5547 14:55:46 0.029102 0.0297 BFGS: 5548 14:55:46 0.028118 0.0294 BFGS: 5549 14:55:46 0.027155 0.0291 BFGS: 5550 14:55:47 0.026214 0.0289 BFGS: 5551 14:55:47 0.025293 0.0286 BFGS: 5552 14:55:47 0.024393 0.0283 BFGS: 5553 14:55:48 0.023514 0.0280 BFGS: 5554 14:55:48 0.022657 0.0277 BFGS: 5555 14:55:48 0.021820 0.0274 BFGS: 5556 14:55:49 0.021004 0.0271 BFGS: 5557 14:55:49 0.020207 0.0268 BFGS: 5558 14:55:50 0.019430 0.0265 BFGS: 5559 14:55:50 0.018670 0.0262 BFGS: 5560 14:55:50 0.017930 0.0259 BFGS: 5561 14:55:51 0.017207 0.0256 BFGS: 5562 14:55:51 0.016502 0.0253 BFGS: 5563 14:55:51 0.015816 0.0250 BFGS: 5564 14:55:52 0.015148 0.0246 BFGS: 5565 14:55:52 0.014497 0.0243 BFGS: 5566 14:55:52 0.013864 0.0240 BFGS: 5567 14:55:53 0.013248 0.0236 BFGS: 5568 14:55:53 0.012650 0.0233 BFGS: 5569 14:55:53 0.012070 0.0229 BFGS: 5570 14:55:53 0.011506 0.0226 BFGS: 5571 14:55:54 0.010959 0.0221 BFGS: 5572 14:55:54 0.010426 0.0215 BFGS: 5573 14:55:55 0.009907 0.0209 BFGS: 5574 14:55:55 0.009401 0.0203 BFGS: 5575 14:55:55 0.008910 0.0198 BFGS: 5576 14:55:55 0.008432 0.0192 BFGS: 5577 14:55:56 0.007968 0.0186 BFGS: 5578 14:55:56 0.007518 0.0180 BFGS: 5579 14:55:56 0.007082 0.0174 BFGS: 5580 14:55:57 0.006660 0.0168 BFGS: 5581 14:55:57 0.006251 0.0162 BFGS: 5582 14:55:57 0.005856 0.0157 BFGS: 5583 14:55:58 0.005475 0.0151 BFGS: 5584 14:55:58 0.005108 0.0145 BFGS: 5585 14:55:58 0.004755 0.0139 BFGS: 5586 14:55:58 0.004415 0.0133 BFGS: 5587 14:55:59 0.004089 0.0127 BFGS: 5588 14:55:59 0.003776 0.0122 BFGS: 5589 14:55:59 0.003478 0.0116 BFGS: 5590 14:55:59 0.003193 0.0110 BFGS: 5591 14:55:59 0.002921 0.0104 BFGS: 5592 14:55:59 0.002664 0.0098 BFGS: 5593 14:55:59 0.002420 0.0093 BFGS: 5594 14:56:00 0.002189 0.0087 BFGS: 5595 14:56:00 0.001972 0.0081 BFGS: 5596 14:56:00 0.001769 0.0075 BFGS: 5597 14:56:00 0.001579 0.0070 BFGS: 5598 14:56:00 0.001403 0.0064 BFGS: 5599 14:56:00 0.001240 0.0058 BFGS: 5600 14:56:00 0.001091 0.0052 BFGS: 5601 14:56:00 0.000955 0.0047 BFGS: 5602 14:56:00 0.000832 0.0041 BFGS: 5603 14:56:01 0.000723 0.0035 BFGS: 5604 14:56:01 0.000628 0.0029 BFGS: 5605 14:56:01 0.000545 0.0027 BFGS: 5606 14:56:01 0.000476 0.0026 BFGS: 5607 14:56:01 0.000419 0.0025 BFGS: 5608 14:56:01 0.000376 0.0025 BFGS: 5609 14:56:01 0.000346 0.0024 BFGS: 5610 14:56:01 0.000323 0.0023 BFGS: 5611 14:56:01 0.000301 0.0022 BFGS: 5612 14:56:02 0.000280 0.0022 BFGS: 5613 14:56:02 0.000260 0.0021 BFGS: 5614 14:56:02 0.000241 0.0020 BFGS: 5615 14:56:02 0.000222 0.0019 BFGS: 5616 14:56:02 0.000204 0.0018 BFGS: 5617 14:56:02 0.000187 0.0018 BFGS: 5618 14:56:02 0.000171 0.0017 BFGS: 5619 14:56:02 0.000155 0.0016 BFGS: 5620 14:56:02 0.000140 0.0015 BFGS: 5621 14:56:03 0.000126 0.0015 BFGS: 5622 14:56:03 0.000113 0.0014 BFGS: 5623 14:56:03 0.000100 0.0013 BFGS: 5624 14:56:03 0.000088 0.0012 BFGS: 5625 14:56:03 0.000077 0.0011 BFGS: 5626 14:56:03 0.000066 0.0011 BFGS: 5627 14:56:03 0.000057 0.0010 BFGS: 5628 14:56:03 0.000048 0.0009 BFGS: 5629 14:56:03 0.000040 0.0008 BFGS: 5630 14:56:03 0.000032 0.0007 BFGS: 5631 14:56:04 0.000026 0.0007 BFGS: 5632 14:56:04 0.000020 0.0006 BFGS: 5633 14:56:04 0.000015 0.0005 BFGS: 5634 14:56:04 0.000011 0.0004 BFGS: 5635 14:56:04 0.000007 0.0003 BFGS: 5636 14:56:04 0.000004 0.0003 BFGS: 5637 14:56:04 0.000002 0.0002 BFGS: 5638 14:56:04 0.000001 0.0001 BFGS: 5639 14:56:04 0.000000 0.0000 BFGS: 5640 14:56:05 0.000000 0.0000 Minimization converged after 5640 steps. Maximum force component: 5.295612137321157e-10 eV/Angstrom Maximum stress component: 1.6839597761630185e-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 = [[0.00000000e+00 3.00255874e-32 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [7.50000000e-01 2.50000000e-01 7.50000000e-01] [2.50000000e-01 2.50000000e-01 2.50000000e-01] [2.50000000e-01 7.50000000e-01 7.50000000e-01] [7.50000000e-01 7.50000000e-01 2.50000000e-01] [9.05469365e-01 9.05469365e-01 9.05469365e-01] [9.45306354e-02 5.94530635e-01 4.05469365e-01] [5.94530635e-01 4.05469365e-01 9.45306354e-02] [4.05469365e-01 9.45306354e-02 5.94530635e-01] [6.55469365e-01 1.55469365e-01 8.44530635e-01] [3.44530635e-01 3.44530635e-01 3.44530635e-01] [1.55469365e-01 8.44530635e-01 6.55469365e-01] [8.44530635e-01 6.55469365e-01 1.55469365e-01] [1.55469365e-01 6.55469365e-01 8.44530635e-01] [6.55469365e-01 8.44530635e-01 1.55469365e-01] [8.44530635e-01 1.55469365e-01 6.55469365e-01] [5.94530635e-01 9.45306354e-02 4.05469365e-01] [9.45306354e-02 4.05469365e-01 5.94530635e-01] [4.05469365e-01 5.94530635e-01 9.45306354e-02] [9.05469365e-01 4.05469365e-01 4.05469365e-01] [9.45306354e-02 9.45306354e-02 9.05469365e-01] [5.94530635e-01 9.05469365e-01 5.94530635e-01] [6.55469365e-01 6.55469365e-01 3.44530635e-01] [3.44530635e-01 8.44530635e-01 8.44530635e-01] [1.55469365e-01 3.44530635e-01 1.55469365e-01] [1.55469365e-01 1.55469365e-01 3.44530635e-01] [6.55469365e-01 3.44530635e-01 6.55469365e-01] [5.94530635e-01 5.94530635e-01 9.05469365e-01] [9.45306354e-02 9.05469365e-01 9.45306354e-02] [4.05469365e-01 9.05469365e-01 4.05469365e-01] [9.05469365e-01 9.45306354e-02 9.45306354e-02] [8.44530635e-01 3.44530635e-01 8.44530635e-01] [3.44530635e-01 6.55469365e-01 6.55469365e-01] [3.44530635e-01 1.55469365e-01 1.55469365e-01] [9.05469365e-01 5.94530635e-01 5.94530635e-01] [4.05469365e-01 4.05469365e-01 9.05469365e-01] [8.44530635e-01 8.44530635e-01 3.44530635e-01] [4.42061420e-01 4.42061420e-01 2.56676797e-01] [5.57938580e-01 5.79385799e-02 7.56676797e-01] [5.79385799e-02 9.42061420e-01 7.43323203e-01] [9.42061420e-01 5.57938580e-01 2.43323203e-01] [2.56676797e-01 4.42061420e-01 4.42061420e-01] [7.56676797e-01 5.57938580e-01 5.79385799e-02] [7.43323203e-01 5.79385799e-02 9.42061420e-01] [2.43323203e-01 9.42061420e-01 5.57938580e-01] [4.42061420e-01 2.56676797e-01 4.42061420e-01] [5.79385799e-02 7.56676797e-01 5.57938580e-01] [9.42061420e-01 7.43323203e-01 5.79385799e-02] [5.57938580e-01 2.43323203e-01 9.42061420e-01] [1.92061420e-01 6.92061420e-01 4.93323203e-01] [8.07938580e-01 8.07938580e-01 9.93323203e-01] [6.92061420e-01 3.07938580e-01 6.67679719e-03] [3.07938580e-01 1.92061420e-01 5.06676797e-01] [1.92061420e-01 5.06676797e-01 3.07938580e-01] [3.07938580e-01 6.67679719e-03 6.92061420e-01] [8.07938580e-01 9.93323203e-01 8.07938580e-01] [6.92061420e-01 4.93323203e-01 1.92061420e-01] [6.67679719e-03 6.92061420e-01 3.07938580e-01] [5.06676797e-01 3.07938580e-01 1.92061420e-01] [4.93323203e-01 1.92061420e-01 6.92061420e-01] [9.93323203e-01 8.07938580e-01 8.07938580e-01] [6.92061420e-01 1.92061420e-01 4.93323203e-01] [1.92061420e-01 3.07938580e-01 5.06676797e-01] [3.07938580e-01 6.92061420e-01 6.67679719e-03] [4.93323203e-01 6.92061420e-01 1.92061420e-01] [5.06676797e-01 1.92061420e-01 3.07938580e-01] [6.67679719e-03 3.07938580e-01 6.92061420e-01] [1.92061420e-01 4.93323203e-01 6.92061420e-01] [3.07938580e-01 5.06676797e-01 1.92061420e-01] [6.92061420e-01 6.67679719e-03 3.07938580e-01] [5.79385799e-02 5.57938580e-01 7.56676797e-01] [5.57938580e-01 9.42061420e-01 2.43323203e-01] [9.42061420e-01 5.79385799e-02 7.43323203e-01] [5.79385799e-02 7.43323203e-01 9.42061420e-01] [9.42061420e-01 2.43323203e-01 5.57938580e-01] [5.57938580e-01 7.56676797e-01 5.79385799e-02] [2.43323203e-01 5.57938580e-01 9.42061420e-01] [7.43323203e-01 9.42061420e-01 5.79385799e-02] [7.56676797e-01 5.79385799e-02 5.57938580e-01] [4.42061420e-01 9.42061420e-01 7.56676797e-01] [5.57938580e-01 5.57938580e-01 2.56676797e-01] [5.79385799e-02 4.42061420e-01 2.43323203e-01] [2.56676797e-01 9.42061420e-01 9.42061420e-01] [7.43323203e-01 5.57938580e-01 4.42061420e-01] [2.43323203e-01 4.42061420e-01 5.79385799e-02] [4.42061420e-01 7.56676797e-01 9.42061420e-01] [5.79385799e-02 2.56676797e-01 5.79385799e-02] [5.57938580e-01 7.43323203e-01 4.42061420e-01] [1.92061420e-01 1.92061420e-01 9.93323203e-01] [8.07938580e-01 3.07938580e-01 4.93323203e-01] [6.92061420e-01 8.07938580e-01 5.06676797e-01] [1.92061420e-01 6.67679719e-03 8.07938580e-01] [8.07938580e-01 4.93323203e-01 3.07938580e-01] [6.92061420e-01 9.93323203e-01 6.92061420e-01] [6.67679719e-03 1.92061420e-01 8.07938580e-01] [5.06676797e-01 8.07938580e-01 6.92061420e-01] [9.93323203e-01 3.07938580e-01 3.07938580e-01] [6.92061420e-01 6.92061420e-01 9.93323203e-01] [1.92061420e-01 8.07938580e-01 6.67679719e-03] [5.06676797e-01 6.92061420e-01 8.07938580e-01] [6.67679719e-03 8.07938580e-01 1.92061420e-01] [1.92061420e-01 9.93323203e-01 1.92061420e-01] [6.92061420e-01 5.06676797e-01 8.07938580e-01] [5.79385799e-02 5.79385799e-02 2.56676797e-01] [5.57938580e-01 4.42061420e-01 7.43323203e-01] [5.79385799e-02 2.43323203e-01 4.42061420e-01] [5.57938580e-01 2.56676797e-01 5.57938580e-01] [2.43323203e-01 5.79385799e-02 4.42061420e-01] [7.43323203e-01 4.42061420e-01 5.57938580e-01] [9.42061420e-01 4.42061420e-01 7.56676797e-01] [4.42061420e-01 5.57938580e-01 7.43323203e-01] [7.56676797e-01 4.42061420e-01 9.42061420e-01] [2.56676797e-01 5.57938580e-01 5.57938580e-01] [9.42061420e-01 2.56676797e-01 9.42061420e-01] [4.42061420e-01 7.43323203e-01 5.57938580e-01] [3.07938580e-01 8.07938580e-01 4.93323203e-01] [8.07938580e-01 1.92061420e-01 6.67679719e-03] [8.07938580e-01 6.67679719e-03 1.92061420e-01] [3.07938580e-01 9.93323203e-01 3.07938580e-01] [9.93323203e-01 1.92061420e-01 1.92061420e-01] [4.93323203e-01 8.07938580e-01 3.07938580e-01] [8.07938580e-01 6.92061420e-01 5.06676797e-01] [9.93323203e-01 6.92061420e-01 6.92061420e-01] [8.07938580e-01 5.06676797e-01 6.92061420e-01] [4.42061420e-01 5.79385799e-02 2.43323203e-01] [4.42061420e-01 2.43323203e-01 5.79385799e-02] [2.56676797e-01 5.79385799e-02 5.79385799e-02] [9.42061420e-01 9.42061420e-01 2.56676797e-01] [7.56676797e-01 9.42061420e-01 4.42061420e-01] [9.42061420e-01 7.56676797e-01 4.42061420e-01] [3.07938580e-01 3.07938580e-01 9.93323203e-01] [3.07938580e-01 4.93323203e-01 8.07938580e-01] [4.93323203e-01 3.07938580e-01 8.07938580e-01]] cellpar = Cell([[45.28827717183415, 4.9789169913505415e-31, -6.100535085221735e-32], [8.182038827630131e-32, 45.28827717183415, 4.5310800208787564e-17], [5.511798039587993e-32, 4.5310800208788174e-17, 45.28827717183415]]) 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] [ 2.84827375e-10 2.84827375e-10 5.29561214e-10] [-2.84827375e-10 -2.84827375e-10 5.29561214e-10] [-2.84827375e-10 2.84827375e-10 -5.29561214e-10] [ 2.84827375e-10 -2.84827375e-10 -5.29561214e-10] [ 5.29561214e-10 2.84827375e-10 2.84827375e-10] [ 5.29561214e-10 -2.84827375e-10 -2.84827375e-10] [-5.29561214e-10 -2.84827375e-10 2.84827375e-10] [-5.29561214e-10 2.84827375e-10 -2.84827375e-10] [ 2.84827375e-10 5.29561214e-10 2.84827375e-10] [-2.84827375e-10 5.29561214e-10 -2.84827375e-10] [ 2.84827375e-10 -5.29561214e-10 -2.84827375e-10] [-2.84827375e-10 -5.29561214e-10 2.84827375e-10] [ 2.84827375e-10 2.84827375e-10 -5.29561214e-10] [-2.84827375e-10 -2.84827375e-10 -5.29561214e-10] [ 2.84827375e-10 -2.84827375e-10 5.29561214e-10] [-2.84827375e-10 2.84827375e-10 5.29561214e-10] [ 2.84827375e-10 5.29561214e-10 -2.84827375e-10] [-2.84827375e-10 5.29561214e-10 2.84827375e-10] [-2.84827375e-10 -5.29561214e-10 -2.84827375e-10] [ 2.84827375e-10 -5.29561214e-10 2.84827375e-10] [ 5.29561214e-10 2.84827375e-10 -2.84827375e-10] [ 5.29561214e-10 -2.84827375e-10 2.84827375e-10] [-5.29561214e-10 2.84827375e-10 2.84827375e-10] [-5.29561214e-10 -2.84827375e-10 -2.84827375e-10] [ 2.84827375e-10 2.84827375e-10 -5.29561214e-10] [ 2.84827375e-10 -2.84827375e-10 5.29561214e-10] [-2.84827375e-10 2.84827375e-10 5.29561214e-10] [-5.29561214e-10 2.84827375e-10 2.84827375e-10] [ 5.29561214e-10 2.84827375e-10 -2.84827375e-10] [ 5.29561214e-10 -2.84827375e-10 2.84827375e-10] [ 2.84827375e-10 -5.29561214e-10 2.84827375e-10] [-2.84827375e-10 5.29561214e-10 2.84827375e-10] [ 2.84827375e-10 5.29561214e-10 -2.84827375e-10] [-2.84827375e-10 -2.84827375e-10 5.29561214e-10] [-2.84827375e-10 2.84827375e-10 -5.29561214e-10] [ 2.84827375e-10 -2.84827375e-10 -5.29561214e-10] [-2.84827375e-10 -5.29561214e-10 2.84827375e-10] [ 2.84827375e-10 -5.29561214e-10 -2.84827375e-10] [-2.84827375e-10 5.29561214e-10 -2.84827375e-10] [-5.29561214e-10 -2.84827375e-10 2.84827375e-10] [-5.29561214e-10 2.84827375e-10 -2.84827375e-10] [ 5.29561214e-10 -2.84827375e-10 -2.84827375e-10] [ 2.84827375e-10 2.84827375e-10 5.29561214e-10] [-2.84827375e-10 -2.84827375e-10 5.29561214e-10] [-2.84827375e-10 2.84827375e-10 -5.29561214e-10] [ 5.29561214e-10 2.84827375e-10 2.84827375e-10] [-5.29561214e-10 -2.84827375e-10 2.84827375e-10] [-5.29561214e-10 2.84827375e-10 -2.84827375e-10] [ 2.84827375e-10 5.29561214e-10 2.84827375e-10] [-2.84827375e-10 5.29561214e-10 -2.84827375e-10] [-2.84827375e-10 -5.29561214e-10 2.84827375e-10] [ 2.84827375e-10 2.84827375e-10 -5.29561214e-10] [-2.84827375e-10 -2.84827375e-10 -5.29561214e-10] [ 2.84827375e-10 -2.84827375e-10 5.29561214e-10] [ 2.84827375e-10 5.29561214e-10 -2.84827375e-10] [-2.84827375e-10 -5.29561214e-10 -2.84827375e-10] [ 2.84827375e-10 -5.29561214e-10 2.84827375e-10] [ 5.29561214e-10 2.84827375e-10 -2.84827375e-10] [ 5.29561214e-10 -2.84827375e-10 2.84827375e-10] [-5.29561214e-10 -2.84827375e-10 -2.84827375e-10] [ 2.84827375e-10 2.84827375e-10 -5.29561214e-10] [ 2.84827375e-10 -2.84827375e-10 5.29561214e-10] [ 5.29561214e-10 2.84827375e-10 -2.84827375e-10] [ 5.29561214e-10 -2.84827375e-10 2.84827375e-10] [ 2.84827375e-10 -5.29561214e-10 2.84827375e-10] [ 2.84827375e-10 5.29561214e-10 -2.84827375e-10] [-2.84827375e-10 -2.84827375e-10 5.29561214e-10] [-2.84827375e-10 2.84827375e-10 -5.29561214e-10] [-2.84827375e-10 -5.29561214e-10 2.84827375e-10] [-2.84827375e-10 5.29561214e-10 -2.84827375e-10] [-5.29561214e-10 -2.84827375e-10 2.84827375e-10] [-5.29561214e-10 2.84827375e-10 -2.84827375e-10] [ 2.84827375e-10 2.84827375e-10 5.29561214e-10] [ 2.84827375e-10 -2.84827375e-10 -5.29561214e-10] [ 5.29561214e-10 2.84827375e-10 2.84827375e-10] [ 5.29561214e-10 -2.84827375e-10 -2.84827375e-10] [ 2.84827375e-10 5.29561214e-10 2.84827375e-10] [ 2.84827375e-10 -5.29561214e-10 -2.84827375e-10] [-2.84827375e-10 -2.84827375e-10 -5.29561214e-10] [-2.84827375e-10 2.84827375e-10 5.29561214e-10] [-2.84827375e-10 5.29561214e-10 2.84827375e-10] [-2.84827375e-10 -5.29561214e-10 -2.84827375e-10] [-5.29561214e-10 2.84827375e-10 2.84827375e-10] [-5.29561214e-10 -2.84827375e-10 -2.84827375e-10] [-2.84827375e-10 2.84827375e-10 5.29561214e-10] [-5.29561214e-10 2.84827375e-10 2.84827375e-10] [-2.84827375e-10 5.29561214e-10 2.84827375e-10] [ 2.84827375e-10 -2.84827375e-10 -5.29561214e-10] [ 2.84827375e-10 -5.29561214e-10 -2.84827375e-10] [ 5.29561214e-10 -2.84827375e-10 -2.84827375e-10] [ 2.84827375e-10 2.84827375e-10 5.29561214e-10] [ 5.29561214e-10 2.84827375e-10 2.84827375e-10] [ 2.84827375e-10 5.29561214e-10 2.84827375e-10] [-2.84827375e-10 -2.84827375e-10 -5.29561214e-10] [-2.84827375e-10 -5.29561214e-10 -2.84827375e-10] [-5.29561214e-10 -2.84827375e-10 -2.84827375e-10]] stress = [-1.68395978e-12 -1.68395978e-12 -1.68395978e-12 1.84138975e-30 8.01286077e-36 5.39677805e-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