element(s): ['Al', 'V'] AFLOW prototype label: A45B7_mC104_12_a8i7j_cij Parameter names: ['a', 'b/a', 'c/a', 'beta', 'x3', 'z3', 'x4', 'z4', 'x5', 'z5', 'x6', 'z6', 'x7', 'z7', 'x8', 'z8', 'x9', 'z9', 'x10', 'z10', 'x11', 'z11', 'x12', 'y12', 'z12', 'x13', 'y13', 'z13', 'x14', 'y14', 'z14', 'x15', 'y15', 'z15', 'x16', 'y16', 'z16', 'x17', 'y17', 'z17', 'x18', 'y18', 'z18', 'x19', 'y19', 'z19'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['20.9036', '0.36432481', '0.98598806', '148.9832', '0.38953871', '0.27431331', '0.78269354', '0.99035539', '0.012705381', '0.13776989', '0.76476145', '0.74272106', '0.64075594', '0.058594699', '0.01603277', '0.38730453', '0.24533289', '0.65482166', '0.23267096', '0.50835758', '0.011683751', '0.260747', '0.8296172', '0.18529963', '0.14912544', '0.073730767', '0.31496577', '0.36822284', '0.30879299', '0.30651644', '0.64350495', '0.42257718', '0.19357031', '0.87714484', '0.93131811', '0.31611911', '0.12143008', '0.66908117', '0.68647365', '0.70491122', '0.079426843', '0.31827648', '0.51058793', '0.66758418', '0.32999292', '0.081702481'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'V', 'V', 'V'] representative atom coordinates = [[0. 0. 0. ] [0.38953871 0. 0.27431331] [0.78269354 0. 0.99035539] [0.01270538 0. 0.13776989] [0.76476145 0. 0.74272106] [0.64075594 0. 0.0585947 ] [0.01603277 0. 0.38730453] [0.24533289 0. 0.65482166] [0.23267096 0. 0.50835758] [0.3296172 0.68529963 0.14912544] [0.57373077 0.81496577 0.36822284] [0.80879299 0.80651644 0.64350495] [0.92257718 0.69357031 0.87714484] [0.43131811 0.81611911 0.12143008] [0.16908117 0.18647365 0.70491122] [0.57942684 0.81827648 0.51058793] [0. 0. 0.5 ] [0.01168375 0. 0.260747 ] [0.16758418 0.82999292 0.08170248]] spacegroup = 12 cell = [[20.9036, 0, 0], [0, 7.6157, 0], [-17.663704758038, 0, 10.620474975766]] ========================================= Step Time Energy fmax BFGS: 0 19:02:54 -1377.683582 45.324582 BFGS: 1 19:02:55 -1390.792494 12.732958 BFGS: 2 19:02:56 -1400.365640 13.175730 BFGS: 3 19:02:58 -1406.507706 13.307009 BFGS: 4 19:02:59 -1412.262949 13.435678 BFGS: 5 19:03:01 -1417.909385 13.526266 BFGS: 6 19:03:02 -1423.528703 13.604240 BFGS: 7 19:03:03 -1429.105691 13.661397 BFGS: 8 19:03:05 -1434.606239 13.706919 BFGS: 9 19:03:06 -1439.978572 13.730339 BFGS: 10 19:03:07 -1445.200236 13.747213 BFGS: 11 19:03:09 -1450.244590 13.745779 BFGS: 12 19:03:10 -1455.113337 13.743858 BFGS: 13 19:03:11 -1459.807135 13.734649 BFGS: 14 19:03:13 -1464.333807 13.726869 BFGS: 15 19:03:14 -1468.705979 13.718966 BFGS: 16 19:03:16 -1472.935865 13.713078 BFGS: 17 19:03:17 -1477.035597 13.709357 BFGS: 18 19:03:18 -1481.021955 13.708651 BFGS: 19 19:03:20 -1484.911972 13.706622 BFGS: 20 19:03:21 -1488.718489 13.703938 BFGS: 21 19:03:22 -1492.452777 13.732707 BFGS: 22 19:03:23 -1496.121211 13.950895 BFGS: 23 19:03:25 -1499.723511 14.145847 BFGS: 24 19:03:26 -1503.256543 14.297191 BFGS: 25 19:03:27 -1506.713016 14.416310 BFGS: 26 19:03:29 -1510.087337 14.486559 BFGS: 27 19:03:30 -1513.375423 14.523567 BFGS: 28 19:03:32 -1516.575454 14.518741 BFGS: 29 19:03:33 -1519.691271 14.485928 BFGS: 30 19:03:34 -1522.724346 14.413542 BFGS: 31 19:03:36 -1525.680796 14.321680 BFGS: 32 19:03:37 -1528.565074 14.185895 BFGS: 33 19:03:38 -1531.381811 14.030917 BFGS: 34 19:03:40 -1534.134602 13.840357 BFGS: 35 19:03:41 -1536.830206 13.732519 BFGS: 36 19:03:43 -1539.468353 13.746684 BFGS: 37 19:03:44 -1542.054292 13.763354 BFGS: 38 19:03:45 -1544.590225 13.782284 BFGS: 39 19:03:47 -1547.081700 13.799889 BFGS: 40 19:03:48 -1549.532103 13.814748 BFGS: 41 19:03:49 -1551.946021 13.831581 BFGS: 42 19:03:51 -1554.326136 13.846134 BFGS: 43 19:03:52 -1556.677184 13.861152 BFGS: 44 19:03:54 -1559.001160 13.872668 BFGS: 45 19:03:55 -1561.300774 13.883266 BFGS: 46 19:03:56 -1563.578123 13.894688 BFGS: 47 19:03:58 -1565.835415 13.901571 BFGS: 48 19:03:59 -1568.073549 13.905139 BFGS: 49 19:04:01 -1570.295926 13.909523 BFGS: 50 19:04:02 -1572.502359 13.911755 BFGS: 51 19:04:04 -1574.693822 13.912362 BFGS: 52 19:04:05 -1576.871588 13.912453 BFGS: 53 19:04:07 -1579.037807 13.911070 BFGS: 54 19:04:08 -1581.192182 13.908548 BFGS: 55 19:04:10 -1583.335540 13.905633 BFGS: 56 19:04:11 -1585.467974 13.901297 BFGS: 57 19:04:13 -1587.590363 13.896840 BFGS: 58 19:04:14 -1589.703216 13.891793 BFGS: 59 19:04:16 -1591.807339 13.886746 BFGS: 60 19:04:17 -1593.903438 13.880590 BFGS: 61 19:04:18 -1595.992614 13.874420 BFGS: 62 19:04:20 -1598.074460 13.867216 BFGS: 63 19:04:21 -1600.149865 13.860648 BFGS: 64 19:04:23 -1602.219010 13.854892 BFGS: 65 19:04:24 -1604.283085 13.909357 BFGS: 66 19:04:26 -1606.342125 13.913334 BFGS: 67 19:04:27 -1608.396863 13.990924 BFGS: 68 19:04:29 -1610.446727 13.988514 BFGS: 69 19:04:30 -1612.493395 14.057725 BFGS: 70 19:04:31 -1614.536475 14.060386 BFGS: 71 19:04:33 -1616.576311 14.112562 BFGS: 72 19:04:34 -1618.612854 14.125485 BFGS: 73 19:04:36 -1620.647884 14.160547 BFGS: 74 19:04:37 -1622.680393 14.173951 BFGS: 75 19:04:39 -1624.711236 14.199025 BFGS: 76 19:04:40 -1626.741402 14.213616 BFGS: 77 19:04:41 -1628.769898 14.229661 BFGS: 78 19:04:43 -1630.797590 14.243991 BFGS: 79 19:04:44 -1632.823767 14.254191 BFGS: 80 19:04:45 -1634.849418 14.264353 BFGS: 81 19:04:47 -1636.873661 14.270236 BFGS: 82 19:04:48 -1638.897042 14.276481 BFGS: 83 19:04:50 -1640.919750 14.277255 BFGS: 84 19:04:51 -1642.941811 14.281105 BFGS: 85 19:04:53 -1644.962587 14.277604 BFGS: 86 19:04:54 -1646.982631 14.277528 BFGS: 87 19:04:56 -1649.000954 14.269292 BFGS: 88 19:04:57 -1651.019194 14.266558 BFGS: 89 19:04:59 -1653.036340 14.250552 BFGS: 90 19:05:00 -1655.052931 14.244962 BFGS: 91 19:05:02 -1657.068138 14.226579 BFGS: 92 19:05:03 -1659.082718 14.214680 BFGS: 93 19:05:04 -1661.095860 14.193823 BFGS: 94 19:05:06 -1663.108566 14.174643 BFGS: 95 19:05:07 -1665.120307 14.153977 BFGS: 96 19:05:09 -1667.131207 14.125547 BFGS: 97 19:05:10 -1669.141388 14.098562 BFGS: 98 19:05:12 -1671.151422 14.066201 BFGS: 99 19:05:13 -1673.160186 14.038994 BFGS: 100 19:05:14 -1675.167681 13.999482 BFGS: 101 19:05:16 -1677.173882 13.968964 BFGS: 102 19:05:18 -1679.178793 13.923009 BFGS: 103 19:05:19 -1681.182363 13.894578 BFGS: 104 19:05:21 -1683.185515 13.838631 BFGS: 105 19:05:22 -1685.186752 13.806486 BFGS: 106 19:05:24 -1687.186329 13.744930 BFGS: 107 19:05:25 -1689.184112 13.710095 BFGS: 108 19:05:27 -1691.180399 13.640746 BFGS: 109 19:05:28 -1693.174940 13.602449 BFGS: 110 19:05:29 -1695.168332 13.530483 BFGS: 111 19:05:31 -1697.160358 13.486865 BFGS: 112 19:05:32 -1699.150734 13.410228 BFGS: 113 19:05:34 -1701.139250 13.360976 BFGS: 114 19:05:35 -1703.126072 13.281328 BFGS: 115 19:05:37 -1705.110815 13.227053 BFGS: 116 19:05:38 -1707.093760 13.143319 BFGS: 117 19:05:39 -1709.075738 13.085860 BFGS: 118 19:05:41 -1711.055511 12.995044 BFGS: 119 19:05:42 -1713.034143 12.935655 BFGS: 120 19:05:44 -1715.010638 12.855074 BFGS: 121 19:05:45 -1716.986602 12.822901 BFGS: 122 19:05:46 -1718.960624 12.787013 BFGS: 123 19:05:48 -1720.933663 12.750381 BFGS: 124 19:05:49 -1722.904170 12.712352 BFGS: 125 19:05:50 -1724.873441 12.674142 BFGS: 126 19:05:52 -1726.840795 12.638290 BFGS: 127 19:05:54 -1728.806801 12.599874 BFGS: 128 19:05:55 -1730.769908 12.559824 BFGS: 129 19:05:57 -1732.731081 12.520066 BFGS: 130 19:05:58 -1734.689316 12.481258 BFGS: 131 19:05:59 -1736.645195 12.441081 BFGS: 132 19:06:01 -1738.596916 12.399126 BFGS: 133 19:06:02 -1740.545843 12.357078 BFGS: 134 19:06:03 -1742.490409 12.439679 BFGS: 135 19:06:05 -1744.431430 12.565667 BFGS: 136 19:06:06 -1746.366665 12.704395 BFGS: 137 19:06:07 -1748.297363 12.819777 BFGS: 138 19:06:09 -1750.221115 12.940290 BFGS: 139 19:06:11 -1752.139068 13.046147 BFGS: 140 19:06:12 -1754.049111 13.148644 BFGS: 141 19:06:14 -1755.952528 13.246453 BFGS: 142 19:06:15 -1757.846564 13.328935 BFGS: 143 19:06:17 -1759.732802 13.417741 BFGS: 144 19:06:18 -1761.609374 13.483475 BFGS: 145 19:06:20 -1763.477085 13.567256 BFGS: 146 19:06:22 -1765.333020 13.613124 BFGS: 147 19:06:23 -1767.177827 13.690191 BFGS: 148 19:06:25 -1769.009218 13.717128 BFGS: 149 19:06:26 -1770.827487 13.788983 BFGS: 150 19:06:28 -1772.630360 13.799316 BFGS: 151 19:06:29 -1774.419247 13.858882 BFGS: 152 19:06:30 -1776.192215 13.858738 BFGS: 153 19:06:32 -1777.951239 13.903884 BFGS: 154 19:06:34 -1779.693396 13.895630 BFGS: 155 19:06:35 -1781.420875 13.919458 BFGS: 156 19:06:37 -1783.132373 13.912675 BFGS: 157 19:06:38 -1784.830037 13.914396 BFGS: 158 19:06:40 -1786.513264 13.906275 BFGS: 159 19:06:41 -1788.183205 13.897870 BFGS: 160 19:06:43 -1789.840266 13.876958 BFGS: 161 19:06:44 -1791.484474 13.875681 BFGS: 162 19:06:46 -1793.116471 13.834139 BFGS: 163 19:06:48 -1794.737283 13.845842 BFGS: 164 19:06:49 -1796.347799 13.791629 BFGS: 165 19:06:50 -1797.949043 13.806370 BFGS: 166 19:06:52 -1799.541419 13.753528 BFGS: 167 19:06:54 -1801.125338 13.765538 BFGS: 168 19:06:55 -1802.700793 13.721787 BFGS: 169 19:06:56 -1804.268679 13.724219 BFGS: 170 19:06:58 -1805.829073 13.699639 BFGS: 171 19:06:59 -1807.382308 13.692457 BFGS: 172 19:07:01 -1808.929140 13.680938 BFGS: 173 19:07:03 -1810.468580 13.674454 BFGS: 174 19:07:04 -1812.001202 13.665703 BFGS: 175 19:07:06 -1813.526996 13.666126 BFGS: 176 19:07:07 -1815.046319 13.661354 BFGS: 177 19:07:08 -1816.558385 13.661812 BFGS: 178 19:07:10 -1818.063557 13.665763 BFGS: 179 19:07:12 -1819.561785 13.669239 BFGS: 180 19:07:13 -1821.052723 13.677476 BFGS: 181 19:07:15 -1822.535999 13.684492 BFGS: 182 19:07:16 -1824.010975 13.697529 BFGS: 183 19:07:19 -1825.477744 13.703946 BFGS: 184 19:07:20 -1826.935202 13.722647 BFGS: 185 19:07:22 -1828.383659 13.727736 BFGS: 186 19:07:24 -1829.822390 13.746442 BFGS: 187 19:07:25 -1831.250923 13.751561 BFGS: 188 19:07:27 -1832.669281 13.769430 BFGS: 189 19:07:28 -1834.076507 13.777879 BFGS: 190 19:07:30 -1835.473703 13.790729 BFGS: 191 19:07:31 -1836.859192 13.804103 BFGS: 192 19:07:33 -1838.233516 13.810050 BFGS: 193 19:07:35 -1839.595166 13.826035 BFGS: 194 19:07:36 -1840.945443 13.823397 BFGS: 195 19:07:37 -1842.283481 13.843685 BFGS: 196 19:07:39 -1843.610397 13.835625 BFGS: 197 19:07:41 -1844.923516 13.857005 BFGS: 198 19:07:42 -1846.225018 13.842063 BFGS: 199 19:07:44 -1847.512236 13.865209 BFGS: 200 19:07:46 -1848.788018 13.846915 BFGS: 201 19:07:48 -1850.049609 13.863343 BFGS: 202 19:07:49 -1851.300369 13.847326 BFGS: 203 19:07:51 -1852.537016 13.853478 BFGS: 204 19:07:53 -1853.762959 13.841476 BFGS: 205 19:07:55 -1854.975144 13.835166 BFGS: 206 19:07:57 -1856.175757 13.822825 BFGS: 207 19:07:58 -1857.363340 13.811977 BFGS: 208 19:08:00 -1858.540107 13.795772 BFGS: 209 19:08:01 -1859.704444 13.783920 BFGS: 210 19:08:03 -1860.857940 13.758710 BFGS: 211 19:08:05 -1861.999041 13.749975 BFGS: 212 19:08:07 -1863.129493 13.717559 BFGS: 213 19:08:09 -1864.247872 13.706384 BFGS: 214 19:08:10 -1865.354997 13.668719 BFGS: 215 19:08:11 -1866.450394 13.653763 BFGS: 216 19:08:13 -1867.534301 13.614739 BFGS: 217 19:08:15 -1868.605723 13.592443 BFGS: 218 19:08:16 -1869.665515 13.554380 BFGS: 219 19:08:18 -1870.712270 13.523227 BFGS: 220 19:08:20 -1871.746248 13.490752 BFGS: 221 19:08:21 -1872.766738 13.449549 BFGS: 222 19:08:23 -1873.773578 13.417558 BFGS: 223 19:08:25 -1874.766727 13.373299 BFGS: 224 19:08:27 -1875.745429 13.342855 BFGS: 225 19:08:29 -1876.709205 13.293138 BFGS: 226 19:08:30 -1877.657853 13.261029 BFGS: 227 19:08:32 -1878.591044 13.211481 BFGS: 228 19:08:34 -1879.509093 13.179430 BFGS: 229 19:08:36 -1880.411658 13.125078 BFGS: 230 19:08:38 -1881.298853 13.091080 BFGS: 231 19:08:41 -1882.170760 13.039739 BFGS: 232 19:08:42 -1883.027846 13.004691 BFGS: 233 19:08:44 -1883.870548 12.956258 BFGS: 234 19:08:46 -1884.699345 12.916458 BFGS: 235 19:08:48 -1885.514181 12.875562 BFGS: 236 19:08:50 -1886.315711 12.833728 BFGS: 237 19:08:52 -1887.103930 12.797462 BFGS: 238 19:08:54 -1887.880016 12.756812 BFGS: 239 19:08:56 -1888.644291 12.722891 BFGS: 240 19:08:58 -1889.397444 12.682094 BFGS: 241 19:09:00 -1890.139333 12.652851 BFGS: 242 19:09:02 -1890.870807 12.608787 BFGS: 243 19:09:04 -1891.592507 12.581513 BFGS: 244 19:09:06 -1892.304483 12.538944 BFGS: 245 19:09:08 -1893.007944 12.513810 BFGS: 246 19:09:10 -1893.701930 12.472578 BFGS: 247 19:09:11 -1894.387627 12.450294 BFGS: 248 19:09:13 -1895.064428 12.409771 BFGS: 249 19:09:15 -1895.733627 12.385700 BFGS: 250 19:09:17 -1896.394703 12.350178 BFGS: 251 19:09:19 -1897.048077 12.322859 BFGS: 252 19:09:21 -1897.694085 12.292567 BFGS: 253 19:09:23 -1898.332481 12.259969 BFGS: 254 19:09:25 -1898.964260 12.236444 BFGS: 255 19:09:27 -1899.588717 12.196650 BFGS: 256 19:09:29 -1900.206750 12.179134 BFGS: 257 19:09:31 -1900.817240 12.135549 BFGS: 258 19:09:33 -1901.421450 12.116375 BFGS: 259 19:09:35 -1902.018250 12.071326 BFGS: 260 19:09:37 -1902.608670 12.051908 BFGS: 261 19:09:39 -1903.191784 12.004153 BFGS: 262 19:09:41 -1903.768402 11.983770 BFGS: 263 19:09:42 -1904.337854 11.932579 BFGS: 264 19:09:44 -1904.900758 11.911107 BFGS: 265 19:09:45 -1905.456634 11.854999 BFGS: 266 19:09:47 -1906.005835 11.832592 BFGS: 267 19:09:49 -1906.547627 11.768867 BFGS: 268 19:09:51 -1907.082632 11.743716 BFGS: 269 19:09:53 -1907.610412 11.677386 BFGS: 270 19:09:55 -1908.131377 11.641406 BFGS: 271 19:09:56 -1908.644907 11.580830 BFGS: 272 19:09:58 -1909.151366 11.525782 BFGS: 273 19:10:00 -1909.650476 11.473109 BFGS: 274 19:10:02 -1910.142574 11.402538 BFGS: 275 19:10:04 -1910.627750 11.350529 BFGS: 276 19:10:06 -1911.105752 11.269852 BFGS: 277 19:10:08 -1911.576606 11.207783 BFGS: 278 19:10:10 -1912.040333 11.131477 BFGS: 279 19:10:12 -1912.497301 11.052004 BFGS: 280 19:10:14 -1912.947479 10.978922 BFGS: 281 19:10:16 -1913.391384 10.886077 BFGS: 282 19:10:18 -1913.828966 10.810117 BFGS: 283 19:10:20 -1914.260742 10.710111 BFGS: 284 19:10:22 -1914.686772 10.626372 BFGS: 285 19:10:24 -1915.107589 10.525179 BFGS: 286 19:10:26 -1915.523465 10.429604 BFGS: 287 19:10:28 -1915.934606 10.331126 BFGS: 288 19:10:30 -1916.341632 10.223304 BFGS: 289 19:10:33 -1916.744331 10.125062 BFGS: 290 19:10:35 -1917.143511 10.007824 BFGS: 291 19:10:36 -1917.539279 9.908312 BFGS: 292 19:10:38 -1917.932383 9.787787 BFGS: 293 19:10:40 -1918.322554 9.679963 BFGS: 294 19:10:41 -1918.710452 9.559433 BFGS: 295 19:10:43 -1919.096110 9.443167 BFGS: 296 19:10:45 -1919.480143 9.323706 BFGS: 297 19:10:46 -1919.862692 9.200882 BFGS: 298 19:10:48 -1920.243998 9.079653 BFGS: 299 19:10:50 -1920.624380 8.952884 BFGS: 300 19:10:52 -1921.004103 8.828087 BFGS: 301 19:10:54 -1921.383628 8.699289 BFGS: 302 19:10:56 -1921.762713 8.567956 BFGS: 303 19:10:58 -1922.141887 8.438686 BFGS: 304 19:11:00 -1922.521081 8.299517 BFGS: 305 19:11:02 -1922.900505 8.172904 BFGS: 306 19:11:04 -1923.279638 8.028145 BFGS: 307 19:11:06 -1923.659108 7.896754 BFGS: 308 19:11:09 -1924.038685 7.749656 BFGS: 309 19:11:12 -1924.418749 7.617984 BFGS: 310 19:11:14 -1924.798927 7.468120 BFGS: 311 19:11:16 -1925.179610 7.330620 BFGS: 312 19:11:18 -1925.560576 7.182137 BFGS: 313 19:11:20 -1925.941947 7.037826 BFGS: 314 19:11:23 -1926.323865 6.889667 BFGS: 315 19:11:24 -1926.706376 6.739559 BFGS: 316 19:11:26 -1927.089346 6.590215 BFGS: 317 19:11:28 -1927.472930 6.438016 BFGS: 318 19:11:30 -1927.857058 6.287704 BFGS: 319 19:11:32 -1928.242199 6.134227 BFGS: 320 19:11:34 -1928.627635 5.979018 BFGS: 321 19:11:35 -1929.013806 5.829684 BFGS: 322 19:11:37 -1929.400044 5.672816 BFGS: 323 19:11:40 -1929.787489 5.528037 BFGS: 324 19:11:42 -1930.175547 5.374684 BFGS: 325 19:11:44 -1930.564888 5.436054 BFGS: 326 19:11:47 -1930.955053 5.584083 BFGS: 327 19:11:49 -1931.346413 5.735185 BFGS: 328 19:11:51 -1931.739135 5.879363 BFGS: 329 19:11:52 -1932.133795 6.023200 BFGS: 330 19:11:54 -1932.530186 6.162012 BFGS: 331 19:11:56 -1932.928441 6.296349 BFGS: 332 19:11:59 -1933.329187 6.424791 BFGS: 333 19:12:01 -1933.732444 6.547518 BFGS: 334 19:12:03 -1934.138772 6.665210 BFGS: 335 19:12:05 -1934.547610 6.771745 BFGS: 336 19:12:07 -1934.959550 6.872119 BFGS: 337 19:12:09 -1935.373951 6.956360 BFGS: 338 19:12:11 -1935.790374 7.033528 BFGS: 339 19:12:13 -1936.208236 7.088589 BFGS: 340 19:12:14 -1936.626280 7.136769 BFGS: 341 19:12:16 -1937.043559 7.156552 BFGS: 342 19:12:19 -1937.457480 7.163168 BFGS: 343 19:12:21 -1937.867926 7.139053 BFGS: 344 19:12:23 -1938.273732 7.083814 BFGS: 345 19:12:25 -1938.675943 7.007438 BFGS: 346 19:12:27 -1939.076913 6.863828 BFGS: 347 19:12:29 -1939.482089 6.728542 BFGS: 348 19:12:31 -1939.899094 6.469317 BFGS: 349 19:12:33 -1940.339014 6.281392 BFGS: 350 19:12:35 -1940.802170 5.896185 BFGS: 351 19:12:37 -1941.265345 5.695191 BFGS: 352 19:12:39 -1941.731529 5.347021 BFGS: 353 19:12:41 -1942.202389 5.134885 BFGS: 354 19:12:43 -1942.671462 4.911770 BFGS: 355 19:12:45 -1943.135846 4.711462 BFGS: 356 19:12:47 -1943.588012 4.574396 BFGS: 357 19:12:49 -1944.027357 4.417922 BFGS: 358 19:12:51 -1944.450267 4.310222 BFGS: 359 19:12:53 -1944.856806 4.197348 BFGS: 360 19:12:55 -1945.245759 4.101772 BFGS: 361 19:12:58 -1945.617320 4.015663 BFGS: 362 19:13:00 -1945.972040 3.932272 BFGS: 363 19:13:02 -1946.309457 3.861164 BFGS: 364 19:13:04 -1946.630826 3.789702 BFGS: 365 19:13:06 -1946.935895 3.728923 BFGS: 366 19:13:08 -1947.225271 3.669183 BFGS: 367 19:13:10 -1947.499707 3.617433 BFGS: 368 19:13:12 -1947.759566 3.568867 BFGS: 369 19:13:14 -1948.006436 3.526177 BFGS: 370 19:13:17 -1948.239783 3.487811 BFGS: 371 19:13:19 -1948.462045 3.456841 BFGS: 372 19:13:21 -1948.672146 3.427879 BFGS: 373 19:13:22 -1948.872826 3.402955 BFGS: 374 19:13:24 -1949.063801 3.383052 BFGS: 375 19:13:27 -1949.247042 3.365851 BFGS: 376 19:13:29 -1949.422560 3.353401 BFGS: 377 19:13:31 -1949.592269 3.342975 BFGS: 378 19:13:34 -1949.756198 3.337930 BFGS: 379 19:13:36 -1949.915741 3.331060 BFGS: 380 19:13:38 -1950.071148 3.328222 BFGS: 381 19:13:40 -1950.223770 3.325385 BFGS: 382 19:13:43 -1950.373687 3.324845 BFGS: 383 19:13:45 -1950.521948 3.323668 BFGS: 384 19:13:47 -1950.668891 3.324246 BFGS: 385 19:13:49 -1950.815222 3.325202 BFGS: 386 19:13:52 -1950.961360 3.325018 BFGS: 387 19:13:54 -1951.107687 3.324040 BFGS: 388 19:13:57 -1951.254532 3.322909 BFGS: 389 19:13:59 -1951.402581 3.320793 BFGS: 390 19:14:01 -1951.552087 3.318983 BFGS: 391 19:14:03 -1951.703210 3.315590 BFGS: 392 19:14:05 -1951.855959 3.311837 BFGS: 393 19:14:07 -1952.010647 3.306249 BFGS: 394 19:14:10 -1952.167335 3.300748 BFGS: 395 19:14:12 -1952.326393 3.293240 BFGS: 396 19:14:14 -1952.487760 3.285897 BFGS: 397 19:14:16 -1952.651418 3.276688 BFGS: 398 19:14:18 -1952.817393 3.268043 BFGS: 399 19:14:20 -1952.985938 3.257559 BFGS: 400 19:14:22 -1953.156397 3.247594 BFGS: 401 19:14:23 -1953.329325 3.235115 BFGS: 402 19:14:25 -1953.504353 3.224113 BFGS: 403 19:14:27 -1953.681333 3.210930 BFGS: 404 19:14:29 -1953.860391 3.241090 BFGS: 405 19:14:31 -1954.041224 3.308942 BFGS: 406 19:14:33 -1954.224039 3.378040 BFGS: 407 19:14:36 -1954.408454 3.444609 BFGS: 408 19:14:38 -1954.594378 3.510350 BFGS: 409 19:14:40 -1954.781691 3.575821 BFGS: 410 19:14:42 -1954.970397 3.640903 BFGS: 411 19:14:44 -1955.160558 3.705842 BFGS: 412 19:14:46 -1955.351751 3.769836 BFGS: 413 19:14:48 -1955.544006 3.832419 BFGS: 414 19:14:50 -1955.736992 3.895007 BFGS: 415 19:14:52 -1955.930847 3.956736 BFGS: 416 19:14:55 -1956.125283 4.017445 BFGS: 417 19:14:57 -1956.320130 4.077351 BFGS: 418 19:14:58 -1956.515054 4.135217 BFGS: 419 19:15:00 -1956.710208 4.192365 BFGS: 420 19:15:02 -1956.905240 4.247785 BFGS: 421 19:15:04 -1957.099727 4.302439 BFGS: 422 19:15:05 -1957.293736 4.354637 BFGS: 423 19:15:07 -1957.487267 4.405777 BFGS: 424 19:15:08 -1957.679845 4.454901 BFGS: 425 19:15:10 -1957.871471 4.502165 BFGS: 426 19:15:11 -1958.062049 4.546933 BFGS: 427 19:15:12 -1958.251565 4.590357 BFGS: 428 19:15:14 -1958.439831 4.631466 BFGS: 429 19:15:15 -1958.626824 4.670674 BFGS: 430 19:15:17 -1958.812581 4.707228 BFGS: 431 19:15:19 -1958.997138 4.742188 BFGS: 432 19:15:21 -1959.180378 4.774143 BFGS: 433 19:15:23 -1959.362746 4.804287 BFGS: 434 19:15:25 -1959.544076 4.831754 BFGS: 435 19:15:27 -1959.724782 4.857250 BFGS: 436 19:15:29 -1959.904206 4.879978 BFGS: 437 19:15:31 -1960.083421 4.901312 BFGS: 438 19:15:33 -1960.262056 4.919787 BFGS: 439 19:15:35 -1960.440544 4.936941 BFGS: 440 19:15:37 -1960.618653 4.951555 BFGS: 441 19:15:39 -1960.797214 4.965234 BFGS: 442 19:15:41 -1960.975591 4.975536 BFGS: 443 19:15:43 -1961.154581 4.985462 BFGS: 444 19:15:45 -1961.333910 4.992326 BFGS: 445 19:15:47 -1961.513771 4.998398 BFGS: 446 19:15:49 -1961.694205 4.999634 BFGS: 447 19:15:51 -1961.875559 5.002764 BFGS: 448 19:15:54 -1962.057475 5.002315 BFGS: 449 19:15:56 -1962.240616 5.001404 BFGS: 450 19:15:58 -1962.424615 4.996842 BFGS: 451 19:16:00 -1962.610018 4.992745 BFGS: 452 19:16:02 -1962.796259 4.985386 BFGS: 453 19:16:04 -1962.984241 4.977671 BFGS: 454 19:16:05 -1963.173400 4.967220 BFGS: 455 19:16:07 -1963.364471 4.956061 BFGS: 456 19:16:09 -1963.556747 4.942253 BFGS: 457 19:16:10 -1963.751120 4.927535 BFGS: 458 19:16:12 -1963.946374 4.910307 BFGS: 459 19:16:14 -1964.143724 4.893091 BFGS: 460 19:16:16 -1964.342663 4.873260 BFGS: 461 19:16:18 -1964.543691 4.853616 BFGS: 462 19:16:20 -1964.746090 4.830126 BFGS: 463 19:16:22 -1964.951021 4.806382 BFGS: 464 19:16:24 -1965.157616 4.780833 BFGS: 465 19:16:26 -1965.366640 4.753534 BFGS: 466 19:16:28 -1965.577454 4.723991 BFGS: 467 19:16:30 -1965.790639 4.694270 BFGS: 468 19:16:33 -1966.005309 4.662755 BFGS: 469 19:16:35 -1966.222525 4.629765 BFGS: 470 19:16:37 -1966.441740 4.595152 BFGS: 471 19:16:39 -1966.663488 4.558911 BFGS: 472 19:16:42 -1966.886949 4.521492 BFGS: 473 19:16:44 -1967.113020 4.482282 BFGS: 474 19:16:46 -1967.341001 4.441853 BFGS: 475 19:16:48 -1967.571505 4.400138 BFGS: 476 19:16:50 -1967.803598 4.356785 BFGS: 477 19:16:51 -1968.038092 4.313310 BFGS: 478 19:16:53 -1968.274473 4.266139 BFGS: 479 19:16:55 -1968.513493 4.218274 BFGS: 480 19:16:57 -1968.754530 4.168457 BFGS: 481 19:16:59 -1968.997919 4.116911 BFGS: 482 19:17:01 -1969.243258 4.065223 BFGS: 483 19:17:03 -1969.490748 4.010689 BFGS: 484 19:17:05 -1969.740334 3.955088 BFGS: 485 19:17:06 -1969.991954 3.897363 BFGS: 486 19:17:09 -1970.245730 3.838855 BFGS: 487 19:17:11 -1970.501235 3.778281 BFGS: 488 19:17:12 -1970.758927 3.716665 BFGS: 489 19:17:14 -1971.018066 3.652682 BFGS: 490 19:17:17 -1971.279645 3.588473 BFGS: 491 19:17:19 -1971.542467 3.590312 BFGS: 492 19:17:21 -1971.807297 3.594774 BFGS: 493 19:17:23 -1972.072997 3.595882 BFGS: 494 19:17:25 -1972.341388 3.594927 BFGS: 495 19:17:26 -1972.610023 3.594813 BFGS: 496 19:17:28 -1972.882032 3.589260 BFGS: 497 19:17:29 -1973.153038 3.587000 BFGS: 498 19:17:31 -1973.428336 3.576698 BFGS: 499 19:17:33 -1973.700812 3.572387 BFGS: 500 19:17:34 -1973.978576 3.556222 BFGS: 501 19:17:35 -1974.252533 3.550021 BFGS: 502 19:17:37 -1974.531444 3.531815 BFGS: 503 19:17:39 -1974.807282 3.519930 BFGS: 504 19:17:41 -1975.086758 3.500399 BFGS: 505 19:17:43 -1975.364040 3.483865 BFGS: 506 19:17:45 -1975.643658 3.460908 BFGS: 507 19:17:47 -1975.922196 3.439224 BFGS: 508 19:17:49 -1976.201924 3.412038 BFGS: 509 19:17:51 -1976.481156 3.385176 BFGS: 510 19:17:53 -1976.761074 3.353029 BFGS: 511 19:17:55 -1977.040711 3.320675 BFGS: 512 19:17:57 -1977.319909 3.284310 BFGS: 513 19:17:59 -1977.599258 3.245801 BFGS: 514 19:18:01 -1977.876877 3.204900 BFGS: 515 19:18:03 -1978.155835 3.159468 BFGS: 516 19:18:06 -1978.431118 3.113860 BFGS: 517 19:18:08 -1978.708904 3.059723 BFGS: 518 19:18:10 -1978.981518 3.009516 BFGS: 519 19:18:12 -1979.256588 2.946206 BFGS: 520 19:18:13 -1979.525538 2.889733 BFGS: 521 19:18:15 -1979.797661 2.817859 BFGS: 522 19:18:17 -1980.063523 2.752834 BFGS: 523 19:18:19 -1980.332656 2.669852 BFGS: 524 19:18:21 -1980.595088 2.593639 BFGS: 525 19:18:23 -1980.859968 2.498847 BFGS: 526 19:18:25 -1981.118997 2.443993 BFGS: 527 19:18:26 -1981.379321 2.414377 BFGS: 528 19:18:28 -1981.635048 2.376527 BFGS: 529 19:18:31 -1981.889609 2.324834 BFGS: 530 19:18:33 -1982.142160 2.334901 BFGS: 531 19:18:34 -1982.391580 2.454082 BFGS: 532 19:18:36 -1982.640953 2.626489 BFGS: 533 19:18:39 -1982.884275 2.784632 BFGS: 534 19:18:40 -1983.132019 3.017971 BFGS: 535 19:18:43 -1983.368866 3.227440 BFGS: 536 19:18:45 -1983.615197 3.596091 BFGS: 537 19:18:48 -1983.806394 3.863521 BFGS: 538 19:18:50 -1983.956508 4.276398 BFGS: 539 19:18:52 -1984.092217 4.247953 BFGS: 540 19:18:53 -1984.205786 4.209366 BFGS: 541 19:18:55 -1984.314306 4.110341 BFGS: 542 19:18:57 -1984.414755 4.007724 BFGS: 543 19:18:59 -1984.507458 3.886493 BFGS: 544 19:19:01 -1984.591807 3.760799 BFGS: 545 19:19:03 -1984.668580 3.629740 BFGS: 546 19:19:04 -1984.737630 3.489541 BFGS: 547 19:19:06 -1984.799803 3.348193 BFGS: 548 19:19:08 -1984.855899 3.195935 BFGS: 549 19:19:10 -1984.906698 3.045128 BFGS: 550 19:19:12 -1984.953200 2.880768 BFGS: 551 19:19:14 -1984.996898 2.715603 BFGS: 552 19:19:16 -1985.039124 2.543337 BFGS: 553 19:19:17 -1985.081439 2.377091 BFGS: 554 19:19:19 -1985.124989 2.207412 BFGS: 555 19:19:21 -1985.170567 2.054402 BFGS: 556 19:19:23 -1985.218231 1.904191 BFGS: 557 19:19:25 -1985.267544 1.780949 BFGS: 558 19:19:27 -1985.317792 1.666549 BFGS: 559 19:19:29 -1985.367887 1.579702 BFGS: 560 19:19:31 -1985.417027 1.504067 BFGS: 561 19:19:33 -1985.464304 1.454270 BFGS: 562 19:19:35 -1985.508952 1.414149 BFGS: 563 19:19:37 -1985.550148 1.396420 BFGS: 564 19:19:39 -1985.587333 1.383620 BFGS: 565 19:19:41 -1985.619800 1.392431 BFGS: 566 19:19:43 -1985.647322 1.404111 BFGS: 567 19:19:45 -1985.669365 1.438727 BFGS: 568 19:19:47 -1985.686191 1.468832 BFGS: 569 19:19:50 -1985.698210 1.544119 BFGS: 570 19:19:52 -1985.706817 1.573144 BFGS: 571 19:19:54 -1985.719923 1.681654 BFGS: 572 19:19:57 -1985.740978 1.761838 BFGS: 573 19:20:00 -1985.763602 1.812755 BFGS: 574 19:20:02 -1985.781290 1.798010 BFGS: 575 19:20:03 -1985.797456 1.709287 BFGS: 576 19:20:05 -1985.811450 1.632504 BFGS: 577 19:20:08 -1985.824292 1.537277 BFGS: 578 19:20:10 -1985.837064 1.483478 BFGS: 579 19:20:13 -1985.850496 1.435619 BFGS: 580 19:20:15 -1985.863695 1.434199 BFGS: 581 19:20:17 -1985.877495 1.454796 BFGS: 582 19:20:19 -1985.892496 1.507110 BFGS: 583 19:20:21 -1985.908266 1.575189 BFGS: 584 19:20:23 -1985.923994 1.667831 BFGS: 585 19:20:26 -1985.936604 1.747199 BFGS: 586 19:20:28 -1985.947088 1.818025 BFGS: 587 19:20:30 -1985.955398 1.824755 BFGS: 588 19:20:32 -1985.966138 1.779964 BFGS: 589 19:20:35 -1985.979873 1.634565 BFGS: 590 19:20:37 -1985.996502 1.446445 BFGS: 591 19:20:38 -1986.016875 1.190345 BFGS: 592 19:20:40 -1986.039410 1.012966 BFGS: 593 19:20:42 -1986.058841 0.919815 BFGS: 594 19:20:44 -1986.079890 0.880772 BFGS: 595 19:20:47 -1986.102049 0.880059 BFGS: 596 19:20:49 -1986.117852 0.906433 BFGS: 597 19:20:51 -1986.126259 0.939806 BFGS: 598 19:20:53 -1986.132206 0.935973 BFGS: 599 19:20:55 -1986.137665 0.908464 BFGS: 600 19:20:57 -1986.142930 0.851357 BFGS: 601 19:20:59 -1986.149158 0.780793 BFGS: 602 19:21:01 -1986.156480 0.702647 BFGS: 603 19:21:03 -1986.164661 0.653444 BFGS: 604 19:21:05 -1986.173840 0.638412 BFGS: 605 19:21:08 -1986.183426 0.674615 BFGS: 606 19:21:10 -1986.192091 0.732107 BFGS: 607 19:21:12 -1986.198857 0.769344 BFGS: 608 19:21:14 -1986.204007 0.760660 BFGS: 609 19:21:17 -1986.207386 0.747464 BFGS: 610 19:21:19 -1986.209572 0.724465 BFGS: 611 19:21:21 -1986.211506 0.720490 BFGS: 612 19:21:23 -1986.214712 0.719637 BFGS: 613 19:21:25 -1986.221232 0.713533 BFGS: 614 19:21:28 -1986.230188 0.700560 BFGS: 615 19:21:30 -1986.240530 0.665444 BFGS: 616 19:21:32 -1986.251558 0.618876 BFGS: 617 19:21:33 -1986.262359 0.552986 BFGS: 618 19:21:35 -1986.272464 0.472178 BFGS: 619 19:21:37 -1986.281052 0.369200 BFGS: 620 19:21:39 -1986.287238 0.312332 BFGS: 621 19:21:41 -1986.289159 0.309445 BFGS: 622 19:21:43 -1986.290389 0.289331 BFGS: 623 19:21:45 -1986.290918 0.278588 BFGS: 624 19:21:47 -1986.291354 0.268156 BFGS: 625 19:21:49 -1986.292315 0.260095 BFGS: 626 19:21:51 -1986.294500 0.249812 BFGS: 627 19:21:53 -1986.299439 0.258536 BFGS: 628 19:21:55 -1986.306648 0.272753 BFGS: 629 19:21:56 -1986.315346 0.277028 BFGS: 630 19:21:58 -1986.324392 0.260419 BFGS: 631 19:22:00 -1986.333193 0.250259 BFGS: 632 19:22:02 -1986.341664 0.243488 BFGS: 633 19:22:04 -1986.349879 0.230809 BFGS: 634 19:22:07 -1986.357792 0.214729 BFGS: 635 19:22:09 -1986.365341 0.195366 BFGS: 636 19:22:11 -1986.372313 0.174596 BFGS: 637 19:22:12 -1986.378813 0.156978 BFGS: 638 19:22:14 -1986.384576 0.138406 BFGS: 639 19:22:16 -1986.389734 0.118679 BFGS: 640 19:22:18 -1986.394048 0.098727 BFGS: 641 19:22:20 -1986.397519 0.082233 BFGS: 642 19:22:22 -1986.400306 0.068576 BFGS: 643 19:22:24 -1986.402498 0.054173 BFGS: 644 19:22:27 -1986.404111 0.038411 BFGS: 645 19:22:29 -1986.405162 0.023979 BFGS: 646 19:22:31 -1986.405891 0.012552 BFGS: 647 19:22:33 -1986.406449 0.014287 BFGS: 648 19:22:35 -1986.406940 0.020496 BFGS: 649 19:22:37 -1986.407323 0.022173 BFGS: 650 19:22:39 -1986.407648 0.020704 BFGS: 651 19:22:41 -1986.408036 0.024115 BFGS: 652 19:22:42 -1986.408553 0.020547 BFGS: 653 19:22:44 -1986.409162 0.021334 BFGS: 654 19:22:46 -1986.409934 0.017178 BFGS: 655 19:22:48 -1986.410968 0.017984 BFGS: 656 19:22:50 -1986.412288 0.014714 BFGS: 657 19:22:52 -1986.413852 0.019929 BFGS: 658 19:22:54 -1986.415833 0.025638 BFGS: 659 19:22:56 -1986.418322 0.033650 BFGS: 660 19:22:58 -1986.421423 0.042363 BFGS: 661 19:23:00 -1986.425233 0.051877 BFGS: 662 19:23:02 -1986.429874 0.062536 BFGS: 663 19:23:04 -1986.435600 0.074593 BFGS: 664 19:23:06 -1986.442740 0.089051 BFGS: 665 19:23:08 -1986.451706 0.110612 BFGS: 666 19:23:10 -1986.463272 0.128325 BFGS: 667 19:23:13 -1986.478093 0.150687 BFGS: 668 19:23:15 -1986.497461 0.178786 BFGS: 669 19:23:17 -1986.522581 0.211958 BFGS: 670 19:23:18 -1986.555533 0.254069 BFGS: 671 19:23:20 -1986.599081 0.301150 BFGS: 672 19:23:22 -1986.656714 0.357612 BFGS: 673 19:23:24 -1986.731400 0.421266 BFGS: 674 19:23:26 -1986.827485 0.488888 BFGS: 675 19:23:28 -1986.947376 0.553233 BFGS: 676 19:23:30 -1987.092522 0.608587 BFGS: 677 19:23:33 -1987.258161 0.634036 BFGS: 678 19:23:35 -1987.433211 0.623101 BFGS: 679 19:23:37 -1987.601777 0.596699 BFGS: 680 19:23:38 -1987.767868 0.634838 BFGS: 681 19:23:40 -1987.917787 0.664226 BFGS: 682 19:23:42 -1988.047108 0.683335 BFGS: 683 19:23:43 -1988.156925 0.695096 BFGS: 684 19:23:45 -1988.249499 0.699756 BFGS: 685 19:23:47 -1988.329284 0.697031 BFGS: 686 19:23:48 -1988.400496 0.691752 BFGS: 687 19:23:50 -1988.464627 0.681361 BFGS: 688 19:23:52 -1988.523981 0.670598 BFGS: 689 19:23:53 -1988.579391 0.657446 BFGS: 690 19:23:55 -1988.631384 0.682099 BFGS: 691 19:23:57 -1988.680946 0.712445 BFGS: 692 19:23:58 -1988.727695 0.734470 BFGS: 693 19:24:00 -1988.773252 0.746785 BFGS: 694 19:24:02 -1988.816048 0.754192 BFGS: 695 19:24:03 -1988.858417 0.752823 BFGS: 696 19:24:05 -1988.897390 0.750741 BFGS: 697 19:24:07 -1988.936634 0.738908 BFGS: 698 19:24:09 -1988.972097 0.730234 BFGS: 699 19:24:10 -1989.008100 0.712843 BFGS: 700 19:24:12 -1989.041198 0.697931 BFGS: 701 19:24:14 -1989.073941 0.674511 BFGS: 702 19:24:16 -1989.104449 0.654264 BFGS: 703 19:24:18 -1989.134395 0.627311 BFGS: 704 19:24:20 -1989.162391 0.601668 BFGS: 705 19:24:22 -1989.189470 0.572018 BFGS: 706 19:24:24 -1989.214553 0.542986 BFGS: 707 19:24:25 -1989.238721 0.509839 BFGS: 708 19:24:27 -1989.261205 0.478152 BFGS: 709 19:24:29 -1989.282417 0.442553 BFGS: 710 19:24:31 -1989.301891 0.407479 BFGS: 711 19:24:32 -1989.319932 0.369684 BFGS: 712 19:24:34 -1989.336234 0.332023 BFGS: 713 19:24:37 -1989.350963 0.292072 BFGS: 714 19:24:38 -1989.363849 0.251913 BFGS: 715 19:24:40 -1989.375136 0.208790 BFGS: 716 19:24:42 -1989.384331 0.167457 BFGS: 717 19:24:44 -1989.391843 0.120734 BFGS: 718 19:24:46 -1989.397136 0.079940 BFGS: 719 19:24:48 -1989.400591 0.057510 BFGS: 720 19:24:50 -1989.401749 0.035347 BFGS: 721 19:24:52 -1989.402166 0.030810 BFGS: 722 19:24:54 -1989.402692 0.023957 BFGS: 723 19:24:56 -1989.403338 0.011631 BFGS: 724 19:24:58 -1989.403357 0.007056 BFGS: 725 19:25:00 -1989.403369 0.004809 BFGS: 726 19:25:02 -1989.403374 0.001666 BFGS: 727 19:25:04 -1989.403374 0.001037 BFGS: 728 19:25:06 -1989.403374 0.000771 BFGS: 729 19:25:08 -1989.403375 0.000311 BFGS: 730 19:25:10 -1989.403375 0.000173 BFGS: 731 19:25:11 -1989.403375 0.000174 BFGS: 732 19:25:13 -1989.403375 0.000054 BFGS: 733 19:25:15 -1989.403375 0.000046 BFGS: 734 19:25:17 -1989.403375 0.000018 BFGS: 735 19:25:19 -1989.403375 0.000009 BFGS: 736 19:25:21 -1989.403375 0.000002 BFGS: 737 19:25:24 -1989.403375 0.000001 BFGS: 738 19:25:26 -1989.403375 0.000001 BFGS: 739 19:25:27 -1989.403375 0.000000 BFGS: 740 19:25:29 -1989.403375 0.000000 BFGS: 741 19:25:30 -1989.403375 0.000000 BFGS: 742 19:25:32 -1989.403375 0.000000 BFGS: 743 19:25:34 -1989.403375 0.000000 BFGS: 744 19:25:35 -1989.403375 0.000000 BFGS: 745 19:25:37 -1989.403375 0.000000 Minimization converged after 745 steps. Maximum force component: 8.397409514507314e-09 eV/Angstrom Maximum stress component: 1.6002071544763932e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'V', 'V', 'V', 'V', 'V', 'V', 'V', 'V', 'V', 'V', 'V', 'V', 'V', 'V'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [5.00000000e-01 5.00000000e-01 0.00000000e+00] [4.96437555e-01 6.05704247e-33 3.49617496e-01] [5.03562445e-01 0.00000000e+00 6.50382504e-01] [9.96437555e-01 5.00000000e-01 3.49617496e-01] [3.56244475e-03 5.00000000e-01 6.50382504e-01] [8.39694461e-01 0.00000000e+00 1.19548870e-01] [1.60305539e-01 0.00000000e+00 8.80451130e-01] [3.39694461e-01 5.00000000e-01 1.19548870e-01] [6.60305539e-01 5.00000000e-01 8.80451130e-01] [1.70023394e-01 0.00000000e+00 2.29934587e-01] [8.29976606e-01 0.00000000e+00 7.70065413e-01] [6.70023394e-01 5.00000000e-01 2.29934587e-01] [3.29976606e-01 5.00000000e-01 7.70065413e-01] [7.51316566e-01 0.00000000e+00 8.28918251e-01] [2.48683434e-01 0.00000000e+00 1.71081749e-01] [2.51316566e-01 5.00000000e-01 8.28918251e-01] [7.48683434e-01 5.00000000e-01 1.71081749e-01] [5.31040644e-01 2.00779741e-32 9.54567134e-01] [4.68959356e-01 2.82661982e-32 4.54328655e-02] [3.10406444e-02 5.00000000e-01 9.54567134e-01] [9.68959356e-01 5.00000000e-01 4.54328655e-02] [1.45515593e-01 1.12167453e-33 5.19959710e-01] [8.54484407e-01 0.00000000e+00 4.80040290e-01] [6.45515593e-01 5.00000000e-01 5.19959710e-01] [3.54484407e-01 5.00000000e-01 4.80040290e-01] [2.75300812e-01 8.52472643e-33 7.33762721e-01] [7.24699188e-01 0.00000000e+00 2.66237279e-01] [7.75300812e-01 5.00000000e-01 7.33762721e-01] [2.24699188e-01 5.00000000e-01 2.66237279e-01] [3.35279750e-01 0.00000000e+00 6.03897997e-01] [6.64720250e-01 0.00000000e+00 3.96102003e-01] [8.35279750e-01 5.00000000e-01 6.03897997e-01] [1.64720250e-01 5.00000000e-01 3.96102003e-01] [3.93573758e-01 6.71205989e-01 2.70034160e-01] [6.06426242e-01 6.71205989e-01 7.29965840e-01] [8.93573758e-01 1.71205989e-01 2.70034160e-01] [1.06426242e-01 1.71205989e-01 7.29965840e-01] [6.06426242e-01 3.28794011e-01 7.29965840e-01] [3.93573758e-01 3.28794011e-01 2.70034160e-01] [1.06426242e-01 8.28794011e-01 7.29965840e-01] [8.93573758e-01 8.28794011e-01 2.70034160e-01] [6.42181996e-01 7.33517894e-01 4.40676524e-01] [3.57818004e-01 7.33517894e-01 5.59323476e-01] [1.42181996e-01 2.33517894e-01 4.40676524e-01] [8.57818004e-01 2.33517894e-01 5.59323476e-01] [3.57818004e-01 2.66482106e-01 5.59323476e-01] [6.42181996e-01 2.66482106e-01 4.40676524e-01] [8.57818004e-01 7.66482106e-01 5.59323476e-01] [1.42181996e-01 7.66482106e-01 4.40676524e-01] [8.80290973e-01 6.71054325e-01 7.38608753e-01] [1.19709027e-01 6.71054325e-01 2.61391247e-01] [3.80290973e-01 1.71054325e-01 7.38608753e-01] [6.19709027e-01 1.71054325e-01 2.61391247e-01] [1.19709027e-01 3.28945675e-01 2.61391247e-01] [8.80290973e-01 3.28945675e-01 7.38608753e-01] [6.19709027e-01 8.28945675e-01 2.61391247e-01] [3.80290973e-01 8.28945675e-01 7.38608753e-01] [8.59027908e-01 7.17131372e-01 8.79478599e-01] [1.40972092e-01 7.17131372e-01 1.20521401e-01] [3.59027908e-01 2.17131372e-01 8.79478599e-01] [6.40972092e-01 2.17131372e-01 1.20521401e-01] [1.40972092e-01 2.82868628e-01 1.20521401e-01] [8.59027908e-01 2.82868628e-01 8.79478599e-01] [6.40972092e-01 7.82868628e-01 1.20521401e-01] [3.59027908e-01 7.82868628e-01 8.79478599e-01] [4.38807589e-01 8.26150241e-01 2.00938708e-01] [5.61192411e-01 8.26150241e-01 7.99061292e-01] [9.38807589e-01 3.26150241e-01 2.00938708e-01] [6.11924113e-02 3.26150241e-01 7.99061292e-01] [5.61192411e-01 1.73849759e-01 7.99061292e-01] [4.38807589e-01 1.73849759e-01 2.00938708e-01] [6.11924113e-02 6.73849759e-01 7.99061292e-01] [9.38807589e-01 6.73849759e-01 2.00938708e-01] [1.10638151e-01 3.31649150e-01 6.33345454e-01] [8.89361849e-01 3.31649150e-01 3.66654546e-01] [6.10638151e-01 8.31649150e-01 6.33345454e-01] [3.89361849e-01 8.31649150e-01 3.66654546e-01] [8.89361849e-01 6.68350850e-01 3.66654546e-01] [1.10638151e-01 6.68350850e-01 6.33345454e-01] [3.89361849e-01 1.68350850e-01 3.66654546e-01] [6.10638151e-01 1.68350850e-01 6.33345454e-01] [6.44501359e-01 8.26538225e-01 5.51311595e-01] [3.55498641e-01 8.26538225e-01 4.48688405e-01] [1.44501359e-01 3.26538225e-01 5.51311595e-01] [8.55498641e-01 3.26538225e-01 4.48688405e-01] [3.55498641e-01 1.73461775e-01 4.48688405e-01] [6.44501359e-01 1.73461775e-01 5.51311595e-01] [8.55498641e-01 6.73461775e-01 4.48688405e-01] [1.44501359e-01 6.73461775e-01 5.51311595e-01] [1.00000000e+00 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [1.31764932e-01 0.00000000e+00 3.31333984e-01] [8.68235068e-01 3.81369340e-33 6.68666016e-01] [6.31764932e-01 5.00000000e-01 3.31333984e-01] [3.68235068e-01 5.00000000e-01 6.68666016e-01] [1.52296953e-01 7.90383293e-01 9.92454359e-01] [8.47703047e-01 7.90383293e-01 7.54564085e-03] [6.52296953e-01 2.90383293e-01 9.92454359e-01] [3.47703047e-01 2.90383293e-01 7.54564085e-03] [8.47703047e-01 2.09616707e-01 7.54564085e-03] [1.52296953e-01 2.09616707e-01 9.92454359e-01] [3.47703047e-01 7.09616707e-01 7.54564085e-03] [6.52296953e-01 7.09616707e-01 9.92454359e-01]] cellpar = Cell([[19.250207097733345, 6.273048587485531e-17, -1.4733495446721203], [3.217816676853986e-17, 6.868052688818248, 1.0464833988103808e-17], [-17.31735189007709, -3.771934993164171e-17, 10.582493107041108]]) forces = [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 1.96295480e-09 2.39398271e-27 -2.13035968e-09] [-1.96295480e-09 -2.39398271e-27 2.13035968e-09] [ 1.96295480e-09 2.39398271e-27 -2.13035968e-09] [-1.96295480e-09 -2.39398271e-27 2.13035968e-09] [-2.61922988e-09 -4.01893666e-27 2.43200770e-09] [ 2.61922988e-09 4.02164563e-27 -2.43200770e-09] [-2.61922988e-09 -4.01893666e-27 2.43200770e-09] [ 2.61922988e-09 4.02164563e-27 -2.43200770e-09] [-8.39740951e-09 -2.74246102e-26 6.13007617e-10] [ 8.39740951e-09 2.74246102e-26 -6.13007617e-10] [-8.39740951e-09 -2.74246102e-26 6.13007617e-10] [ 8.39740951e-09 2.74246102e-26 -6.13007617e-10] [-2.65896818e-09 -1.71451735e-26 -3.99174228e-09] [ 2.65896818e-09 1.71451735e-26 3.99174228e-09] [-2.65896818e-09 -1.71451735e-26 -3.99174228e-09] [ 2.65896818e-09 1.71451735e-26 3.99174228e-09] [ 3.71185156e-09 1.66940559e-26 1.99066836e-09] [-3.71185156e-09 -1.66965109e-26 -1.99066836e-09] [ 3.71185156e-09 1.66940559e-26 1.99066836e-09] [-3.71185156e-09 -1.66940559e-26 -1.99066836e-09] [-1.36211519e-09 -1.09103053e-26 -3.09723640e-09] [ 1.36211519e-09 1.09103053e-26 3.09723640e-09] [-1.36211519e-09 -1.09103053e-26 -3.09723640e-09] [ 1.36211519e-09 1.09103053e-26 3.09723640e-09] [ 4.62001855e-09 1.76655011e-26 9.37703635e-10] [-4.62001855e-09 -1.76655011e-26 -9.37703635e-10] [ 4.62001855e-09 1.76655011e-26 9.37703635e-10] [-4.62001855e-09 -1.76655011e-26 -9.37703635e-10] [ 1.21174913e-10 -4.64805044e-27 -2.50400147e-09] [-1.21174913e-10 4.64805044e-27 2.50400147e-09] [ 1.21174913e-10 -4.64805044e-27 -2.50400147e-09] [-1.21174913e-10 4.64805044e-27 2.50400147e-09] [-2.31823325e-10 3.88051721e-09 -1.79616148e-09] [ 2.31823325e-10 3.88051721e-09 1.79616148e-09] [-2.31823325e-10 3.88051721e-09 -1.79616148e-09] [ 2.31823325e-10 3.88051721e-09 1.79616148e-09] [ 2.31823325e-10 -3.88051721e-09 1.79616148e-09] [-2.31823325e-10 -3.88051721e-09 -1.79616148e-09] [ 2.31823325e-10 -3.88051721e-09 1.79616148e-09] [-2.31823325e-10 -3.88051721e-09 -1.79616148e-09] [ 7.11588724e-10 -7.00485381e-10 -5.89335106e-10] [-7.11588724e-10 -7.00485381e-10 5.89335106e-10] [ 7.11588724e-10 -7.00485381e-10 -5.89335106e-10] [-7.11588724e-10 -7.00485381e-10 5.89335106e-10] [-7.11588724e-10 7.00485381e-10 5.89335106e-10] [ 7.11588724e-10 7.00485381e-10 -5.89335106e-10] [-7.11588724e-10 7.00485381e-10 5.89335106e-10] [ 7.11588724e-10 7.00485381e-10 -5.89335106e-10] [ 1.46584160e-09 -1.62566580e-09 1.98619609e-09] [-1.46584160e-09 -1.62566580e-09 -1.98619609e-09] [ 1.46584160e-09 -1.62566580e-09 1.98619609e-09] [-1.46584160e-09 -1.62566580e-09 -1.98619609e-09] [-1.46584160e-09 1.62566580e-09 -1.98619609e-09] [ 1.46584160e-09 1.62566580e-09 1.98619609e-09] [-1.46584160e-09 1.62566580e-09 -1.98619609e-09] [ 1.46584160e-09 1.62566580e-09 1.98619609e-09] [ 1.57285161e-09 4.63166890e-10 -1.80924677e-09] [-1.57285161e-09 4.63166890e-10 1.80924677e-09] [ 1.57285161e-09 4.63166890e-10 -1.80924677e-09] [-1.57285161e-09 4.63166890e-10 1.80924677e-09] [-1.57285161e-09 -4.63166890e-10 1.80924677e-09] [ 1.57285161e-09 -4.63166890e-10 -1.80924677e-09] [-1.57285161e-09 -4.63166890e-10 1.80924677e-09] [ 1.57285161e-09 -4.63166890e-10 -1.80924677e-09] [-1.80271005e-09 -4.62679931e-09 2.73104103e-10] [ 1.80271005e-09 -4.62679931e-09 -2.73104103e-10] [-1.80271005e-09 -4.62679931e-09 2.73104103e-10] [ 1.80271005e-09 -4.62679931e-09 -2.73104103e-10] [ 1.80271005e-09 4.62679931e-09 -2.73104103e-10] [-1.80271005e-09 4.62679931e-09 2.73104103e-10] [ 1.80271005e-09 4.62679931e-09 -2.73104103e-10] [-1.80271005e-09 4.62679931e-09 2.73104103e-10] [ 4.17638815e-10 1.94784616e-09 3.86433034e-09] [-4.17638815e-10 1.94784616e-09 -3.86433034e-09] [ 4.17638815e-10 1.94784616e-09 3.86433034e-09] [-4.17638815e-10 1.94784616e-09 -3.86433034e-09] [-4.17638815e-10 -1.94784616e-09 -3.86433034e-09] [ 4.17638815e-10 -1.94784616e-09 3.86433034e-09] [-4.17638815e-10 -1.94784616e-09 -3.86433034e-09] [ 4.17638815e-10 -1.94784616e-09 3.86433034e-09] [ 2.30433189e-09 -1.33687757e-09 9.45234154e-10] [-2.30433189e-09 -1.33687757e-09 -9.45234154e-10] [ 2.30433189e-09 -1.33687757e-09 9.45234154e-10] [-2.30433189e-09 -1.33687757e-09 -9.45234154e-10] [-2.30433189e-09 1.33687757e-09 -9.45234154e-10] [ 2.30433189e-09 1.33687757e-09 9.45234154e-10] [-2.30433189e-09 1.33687757e-09 -9.45234154e-10] [ 2.30433189e-09 1.33687757e-09 9.45234154e-10] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 4.43911288e-09 1.78521531e-26 1.33283854e-09] [-4.43911288e-09 -1.78494441e-26 -1.33283854e-09] [ 4.43911288e-09 1.78467351e-26 1.33283854e-09] [-4.43911288e-09 -1.78467351e-26 -1.33283854e-09] [ 2.39481341e-09 -2.61312098e-09 4.40062240e-09] [-2.39481341e-09 -2.61312098e-09 -4.40062240e-09] [ 2.39481341e-09 -2.61312098e-09 4.40062240e-09] [-2.39481341e-09 -2.61312098e-09 -4.40062240e-09] [-2.39481341e-09 2.61312098e-09 -4.40062240e-09] [ 2.39481341e-09 2.61312098e-09 4.40062240e-09] [-2.39481341e-09 2.61312098e-09 -4.40062240e-09] [ 2.39481341e-09 2.61312098e-09 4.40062240e-09]] stress = [ 4.29767905e-11 -1.39057490e-10 -1.57298456e-10 5.26096230e-28 -1.60020715e-10 -4.28274613e-28] energy per atom = -19.128878601511495 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0