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_NakanoKaliaVashishta_1994_SiO__SM_503555646986_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 2411.783736 22.6843 BFGS: 1 14:14:20 2398.973469 22.5639 BFGS: 2 14:14:21 2388.370217 22.4621 BFGS: 3 14:14:21 2379.204902 22.3797 BFGS: 4 14:14:22 2371.017004 22.3111 BFGS: 5 14:14:23 2363.562054 22.2475 BFGS: 6 14:14:23 2356.661191 22.1900 BFGS: 7 14:14:24 2350.203935 22.1416 BFGS: 8 14:14:24 2344.124290 22.0951 BFGS: 9 14:14:25 2338.345222 22.0502 BFGS: 10 14:14:26 2332.809423 22.0066 BFGS: 11 14:14:27 2327.472908 21.9642 BFGS: 12 14:14:27 2322.300983 21.9229 BFGS: 13 14:14:28 2317.265584 21.8825 BFGS: 14 14:14:28 2312.343488 21.8429 BFGS: 15 14:14:29 2307.515077 21.8041 BFGS: 16 14:14:30 2302.763476 21.7659 BFGS: 17 14:14:30 2298.073946 21.7284 BFGS: 18 14:14:31 2293.433486 21.6914 BFGS: 19 14:14:31 2288.830572 21.6549 BFGS: 20 14:14:32 2284.255028 21.6188 BFGS: 21 14:14:32 2279.697991 21.5831 BFGS: 22 14:14:33 2275.151959 21.5477 BFGS: 23 14:14:34 2270.610888 21.5126 BFGS: 24 14:14:35 2266.070301 21.4776 BFGS: 25 14:14:36 2261.527371 21.4428 BFGS: 26 14:14:37 2256.980903 21.4080 BFGS: 27 14:14:37 2252.431109 21.3732 BFGS: 28 14:14:38 2247.879025 21.3384 BFGS: 29 14:14:39 2243.325557 21.3036 BFGS: 30 14:14:39 2238.771147 21.2687 BFGS: 31 14:14:40 2234.216068 21.2338 BFGS: 32 14:14:41 2229.660559 21.1988 BFGS: 33 14:14:42 2225.104862 21.1637 BFGS: 34 14:14:43 2220.549235 21.1286 BFGS: 35 14:14:43 2215.993954 21.0934 BFGS: 36 14:14:44 2211.439318 21.0581 BFGS: 37 14:14:45 2206.885647 21.0228 BFGS: 38 14:14:46 2202.333284 20.9874 BFGS: 39 14:14:46 2197.782593 20.9520 BFGS: 40 14:14:47 2193.233958 20.9165 BFGS: 41 14:14:48 2188.687786 20.8809 BFGS: 42 14:14:48 2184.144501 20.8453 BFGS: 43 14:14:49 2179.604546 20.8096 BFGS: 44 14:14:50 2175.068382 20.7739 BFGS: 45 14:14:51 2170.536486 20.7381 BFGS: 46 14:14:51 2166.009352 20.7023 BFGS: 47 14:14:52 2161.487486 20.6664 BFGS: 48 14:14:52 2156.971408 20.6304 BFGS: 49 14:14:53 2152.461650 20.5944 BFGS: 50 14:14:54 2147.958755 20.5583 BFGS: 51 14:14:54 2143.463272 20.5222 BFGS: 52 14:14:55 2138.975760 20.4861 BFGS: 53 14:14:56 2134.496784 20.4499 BFGS: 54 14:14:56 2130.026911 20.4137 BFGS: 55 14:14:57 2125.566713 20.3774 BFGS: 56 14:14:58 2121.116763 20.3411 BFGS: 57 14:14:59 2116.677631 20.3048 BFGS: 58 14:15:00 2112.249889 20.2685 BFGS: 59 14:15:01 2107.834102 20.2321 BFGS: 60 14:15:02 2103.430833 20.1957 BFGS: 61 14:15:03 2099.040637 20.1593 BFGS: 62 14:15:03 2094.664059 20.1229 BFGS: 63 14:15:04 2090.301638 20.0864 BFGS: 64 14:15:05 2085.953899 20.0500 BFGS: 65 14:15:05 2081.621358 20.0135 BFGS: 66 14:15:06 2077.304515 19.9771 BFGS: 67 14:15:07 2073.003855 19.9406 BFGS: 68 14:15:08 2068.719851 19.9042 BFGS: 69 14:15:08 2064.452954 19.8677 BFGS: 70 14:15:09 2060.203601 19.8313 BFGS: 71 14:15:09 2055.972210 19.7949 BFGS: 72 14:15:10 2051.759178 19.7585 BFGS: 73 14:15:10 2047.564884 19.7221 BFGS: 74 14:15:11 2043.389684 19.6858 BFGS: 75 14:15:12 2039.233916 19.6495 BFGS: 76 14:15:12 2035.097895 19.6132 BFGS: 77 14:15:13 2030.981915 19.5769 BFGS: 78 14:15:14 2026.886246 19.5408 BFGS: 79 14:15:14 2022.810105 19.5071 BFGS: 80 14:15:15 2018.746533 19.4734 BFGS: 81 14:15:16 2014.696157 19.4397 BFGS: 82 14:15:17 2010.659576 19.4060 BFGS: 83 14:15:18 2006.637363 19.3722 BFGS: 84 14:15:19 2002.630065 19.3385 BFGS: 85 14:15:19 1998.638198 19.3048 BFGS: 86 14:15:20 1994.662255 19.2712 BFGS: 87 14:15:21 1990.702699 19.2375 BFGS: 88 14:15:21 1986.759965 19.2038 BFGS: 89 14:15:22 1982.834460 19.1702 BFGS: 90 14:15:23 1978.926566 19.1366 BFGS: 91 14:15:24 1975.036634 19.1030 BFGS: 92 14:15:25 1971.164989 19.0694 BFGS: 93 14:15:25 1967.311929 19.0359 BFGS: 94 14:15:27 1963.477725 19.0024 BFGS: 95 14:15:28 1959.662621 18.9689 BFGS: 96 14:15:28 1955.866836 18.9354 BFGS: 97 14:15:29 1952.090563 18.9020 BFGS: 98 14:15:30 1948.333969 18.8687 BFGS: 99 14:15:31 1944.597200 18.8354 BFGS: 100 14:15:31 1940.880376 18.8021 BFGS: 101 14:15:32 1937.183596 18.7689 BFGS: 102 14:15:33 1933.506936 18.7357 BFGS: 103 14:15:34 1929.850453 18.7025 BFGS: 104 14:15:34 1926.214181 18.6694 BFGS: 105 14:15:35 1922.598139 18.6364 BFGS: 106 14:15:36 1919.002325 18.6034 BFGS: 107 14:15:37 1915.426711 18.5709 BFGS: 108 14:15:37 1911.871054 18.5396 BFGS: 109 14:15:38 1908.335275 18.5084 BFGS: 110 14:15:39 1904.819306 18.4773 BFGS: 111 14:15:40 1901.323065 18.4462 BFGS: 112 14:15:40 1897.846455 18.4152 BFGS: 113 14:15:41 1894.389367 18.3842 BFGS: 114 14:15:42 1890.951681 18.3533 BFGS: 115 14:15:42 1887.533268 18.3225 BFGS: 116 14:15:43 1884.133988 18.2917 BFGS: 117 14:15:43 1880.753694 18.2610 BFGS: 118 14:15:43 1877.392231 18.2303 BFGS: 119 14:15:44 1874.049439 18.1997 BFGS: 120 14:15:44 1870.725150 18.1692 BFGS: 121 14:15:45 1867.419190 18.1388 BFGS: 122 14:15:45 1864.131397 18.1095 BFGS: 123 14:15:46 1860.862225 18.0802 BFGS: 124 14:15:47 1857.611401 18.0510 BFGS: 125 14:15:47 1854.378665 18.0218 BFGS: 126 14:15:48 1851.163766 17.9928 BFGS: 127 14:15:49 1847.966459 17.9638 BFGS: 128 14:15:49 1844.786503 17.9349 BFGS: 129 14:15:50 1841.623660 17.9061 BFGS: 130 14:15:51 1838.477695 17.8773 BFGS: 131 14:15:52 1835.348375 17.8487 BFGS: 132 14:15:52 1832.235470 17.8201 BFGS: 133 14:15:53 1829.138752 17.7915 BFGS: 134 14:15:54 1826.057995 17.7631 BFGS: 135 14:15:55 1822.992975 17.7347 BFGS: 136 14:15:56 1819.943470 17.7064 BFGS: 137 14:15:56 1816.909262 17.6782 BFGS: 138 14:15:57 1813.890135 17.6500 BFGS: 139 14:15:58 1810.885876 17.6219 BFGS: 140 14:16:00 1807.896273 17.5939 BFGS: 141 14:16:01 1804.921119 17.5659 BFGS: 142 14:16:01 1801.960210 17.5381 BFGS: 143 14:16:02 1799.013343 17.5102 BFGS: 144 14:16:03 1796.080321 17.4825 BFGS: 145 14:16:03 1793.160949 17.4548 BFGS: 146 14:16:04 1790.255033 17.4272 BFGS: 147 14:16:05 1787.362386 17.3997 BFGS: 148 14:16:06 1784.482821 17.3722 BFGS: 149 14:16:06 1781.616157 17.3448 BFGS: 150 14:16:07 1778.762215 17.3175 BFGS: 151 14:16:08 1775.920819 17.2902 BFGS: 152 14:16:08 1773.091796 17.2630 BFGS: 153 14:16:09 1770.274978 17.2358 BFGS: 154 14:16:10 1767.470199 17.2088 BFGS: 155 14:16:10 1764.677296 17.1817 BFGS: 156 14:16:11 1761.896110 17.1548 BFGS: 157 14:16:12 1759.126484 17.1279 BFGS: 158 14:16:13 1756.368266 17.1011 BFGS: 159 14:16:13 1753.621306 17.0743 BFGS: 160 14:16:14 1750.885458 17.0476 BFGS: 161 14:16:15 1748.160576 17.0209 BFGS: 162 14:16:16 1745.446521 16.9943 BFGS: 163 14:16:17 1742.743155 16.9678 BFGS: 164 14:16:18 1740.050343 16.9413 BFGS: 165 14:16:19 1737.367953 16.9149 BFGS: 166 14:16:20 1734.695856 16.8885 BFGS: 167 14:16:20 1732.033926 16.8622 BFGS: 168 14:16:21 1729.382039 16.8360 BFGS: 169 14:16:21 1726.740074 16.8098 BFGS: 170 14:16:22 1724.107913 16.7836 BFGS: 171 14:16:23 1721.485440 16.7575 BFGS: 172 14:16:24 1718.872542 16.7315 BFGS: 173 14:16:24 1716.269108 16.7055 BFGS: 174 14:16:25 1713.675031 16.6796 BFGS: 175 14:16:26 1711.090204 16.6537 BFGS: 176 14:16:26 1708.514523 16.6279 BFGS: 177 14:16:27 1705.947888 16.6021 BFGS: 178 14:16:28 1703.390200 16.5764 BFGS: 179 14:16:28 1700.841362 16.5507 BFGS: 180 14:16:29 1698.301278 16.5251 BFGS: 181 14:16:30 1695.769858 16.4995 BFGS: 182 14:16:31 1693.247009 16.4740 BFGS: 183 14:16:32 1690.732644 16.4485 BFGS: 184 14:16:33 1688.226676 16.4231 BFGS: 185 14:16:34 1685.729021 16.3977 BFGS: 186 14:16:34 1683.239595 16.3724 BFGS: 187 14:16:35 1680.758318 16.3471 BFGS: 188 14:16:36 1678.285111 16.3219 BFGS: 189 14:16:37 1675.819896 16.2967 BFGS: 190 14:16:37 1673.362598 16.2716 BFGS: 191 14:16:39 1670.913142 16.2465 BFGS: 192 14:16:39 1668.471456 16.2214 BFGS: 193 14:16:40 1666.037470 16.1964 BFGS: 194 14:16:41 1663.611113 16.1715 BFGS: 195 14:16:41 1661.192319 16.1466 BFGS: 196 14:16:42 1658.781020 16.1217 BFGS: 197 14:16:43 1656.377153 16.0969 BFGS: 198 14:16:43 1653.980652 16.0721 BFGS: 199 14:16:44 1651.591458 16.0473 BFGS: 200 14:16:45 1649.209507 16.0226 BFGS: 201 14:16:46 1646.834742 15.9980 BFGS: 202 14:16:47 1644.467103 15.9734 BFGS: 203 14:16:47 1642.106533 15.9488 BFGS: 204 14:16:48 1639.752978 15.9243 BFGS: 205 14:16:49 1637.406381 15.8998 BFGS: 206 14:16:50 1635.066691 15.8753 BFGS: 207 14:16:50 1632.733853 15.8509 BFGS: 208 14:16:51 1630.407817 15.8265 BFGS: 209 14:16:52 1628.088532 15.8022 BFGS: 210 14:16:52 1625.775950 15.7779 BFGS: 211 14:16:53 1623.470022 15.7537 BFGS: 212 14:16:54 1621.170700 15.7295 BFGS: 213 14:16:54 1618.877938 15.7053 BFGS: 214 14:16:55 1616.591692 15.6811 BFGS: 215 14:16:56 1614.311915 15.6571 BFGS: 216 14:16:56 1612.038565 15.6330 BFGS: 217 14:16:57 1609.771599 15.6090 BFGS: 218 14:16:58 1607.510975 15.5850 BFGS: 219 14:16:58 1605.256652 15.5611 BFGS: 220 14:16:59 1603.008588 15.5371 BFGS: 221 14:17:00 1600.766746 15.5133 BFGS: 222 14:17:00 1598.531085 15.4894 BFGS: 223 14:17:01 1596.301568 15.4656 BFGS: 224 14:17:03 1594.078158 15.4419 BFGS: 225 14:17:03 1591.860816 15.4182 BFGS: 226 14:17:04 1589.649508 15.3945 BFGS: 227 14:17:05 1587.444199 15.3708 BFGS: 228 14:17:05 1585.244852 15.3472 BFGS: 229 14:17:06 1583.051434 15.3236 BFGS: 230 14:17:06 1580.863912 15.3001 BFGS: 231 14:17:06 1578.682253 15.2766 BFGS: 232 14:17:07 1576.506423 15.2531 BFGS: 233 14:17:08 1574.336392 15.2296 BFGS: 234 14:17:08 1572.172128 15.2062 BFGS: 235 14:17:09 1570.013600 15.1829 BFGS: 236 14:17:10 1567.860778 15.1595 BFGS: 237 14:17:10 1565.713632 15.1362 BFGS: 238 14:17:11 1563.572132 15.1129 BFGS: 239 14:17:12 1561.436251 15.0897 BFGS: 240 14:17:12 1559.305960 15.0665 BFGS: 241 14:17:13 1557.181231 15.0433 BFGS: 242 14:17:14 1555.062035 15.0202 BFGS: 243 14:17:14 1552.948347 14.9971 BFGS: 244 14:17:15 1550.840140 14.9740 BFGS: 245 14:17:15 1548.737388 14.9510 BFGS: 246 14:17:16 1546.640064 14.9279 BFGS: 247 14:17:17 1544.548143 14.9050 BFGS: 248 14:17:17 1542.461600 14.8820 BFGS: 249 14:17:18 1540.380411 14.8591 BFGS: 250 14:17:19 1538.304550 14.8362 BFGS: 251 14:17:19 1536.233995 14.8134 BFGS: 252 14:17:20 1534.168721 14.7906 BFGS: 253 14:17:21 1532.108705 14.7678 BFGS: 254 14:17:22 1530.053925 14.7450 BFGS: 255 14:17:23 1528.004356 14.7223 BFGS: 256 14:17:24 1525.959977 14.6996 BFGS: 257 14:17:25 1523.920766 14.6769 BFGS: 258 14:17:25 1521.886701 14.6543 BFGS: 259 14:17:26 1519.857760 14.6317 BFGS: 260 14:17:27 1517.833921 14.6091 BFGS: 261 14:17:27 1515.815165 14.5866 BFGS: 262 14:17:28 1513.801470 14.5641 BFGS: 263 14:17:29 1511.792815 14.5416 BFGS: 264 14:17:30 1509.789181 14.5191 BFGS: 265 14:17:31 1507.790547 14.4967 BFGS: 266 14:17:31 1505.796894 14.4743 BFGS: 267 14:17:32 1503.808201 14.4519 BFGS: 268 14:17:33 1501.824450 14.4296 BFGS: 269 14:17:34 1499.845621 14.4073 BFGS: 270 14:17:34 1497.871695 14.3850 BFGS: 271 14:17:35 1495.902654 14.3628 BFGS: 272 14:17:35 1493.938479 14.3406 BFGS: 273 14:17:36 1491.979152 14.3184 BFGS: 274 14:17:37 1490.024654 14.2962 BFGS: 275 14:17:37 1488.074968 14.2741 BFGS: 276 14:17:38 1486.130075 14.2520 BFGS: 277 14:17:39 1484.189959 14.2299 BFGS: 278 14:17:39 1482.254601 14.2079 BFGS: 279 14:17:40 1480.323985 14.1858 BFGS: 280 14:17:41 1478.398093 14.1639 BFGS: 281 14:17:41 1476.476908 14.1419 BFGS: 282 14:17:42 1474.560413 14.1200 BFGS: 283 14:17:43 1472.648593 14.0981 BFGS: 284 14:17:44 1470.741429 14.0762 BFGS: 285 14:17:45 1468.838907 14.0543 BFGS: 286 14:17:45 1466.941009 14.0325 BFGS: 287 14:17:46 1465.047720 14.0107 BFGS: 288 14:17:47 1463.159023 13.9889 BFGS: 289 14:17:48 1461.274903 13.9672 BFGS: 290 14:17:48 1459.395345 13.9455 BFGS: 291 14:17:49 1457.520331 13.9238 BFGS: 292 14:17:50 1455.649848 13.9021 BFGS: 293 14:17:50 1453.783880 13.8805 BFGS: 294 14:17:51 1451.922411 13.8589 BFGS: 295 14:17:52 1450.065426 13.8373 BFGS: 296 14:17:52 1448.212911 13.8158 BFGS: 297 14:17:53 1446.364851 13.7942 BFGS: 298 14:17:54 1444.521230 13.7727 BFGS: 299 14:17:55 1442.682034 13.7513 BFGS: 300 14:17:56 1440.847249 13.7298 BFGS: 301 14:17:56 1439.016860 13.7084 BFGS: 302 14:17:57 1437.190853 13.6870 BFGS: 303 14:17:58 1435.369213 13.6656 BFGS: 304 14:17:59 1433.551926 13.6443 BFGS: 305 14:17:59 1431.738978 13.6230 BFGS: 306 14:18:00 1429.930356 13.6017 BFGS: 307 14:18:01 1428.126045 13.5804 BFGS: 308 14:18:02 1426.326031 13.5592 BFGS: 309 14:18:02 1424.530301 13.5380 BFGS: 310 14:18:03 1422.738841 13.5168 BFGS: 311 14:18:04 1420.951638 13.4956 BFGS: 312 14:18:04 1419.168677 13.4745 BFGS: 313 14:18:05 1417.389946 13.4534 BFGS: 314 14:18:05 1415.615432 13.4323 BFGS: 315 14:18:06 1413.845120 13.4112 BFGS: 316 14:18:06 1412.078998 13.3902 BFGS: 317 14:18:07 1410.317053 13.3692 BFGS: 318 14:18:08 1408.559271 13.3482 BFGS: 319 14:18:08 1406.805640 13.3272 BFGS: 320 14:18:09 1405.056147 13.3063 BFGS: 321 14:18:10 1403.310779 13.2854 BFGS: 322 14:18:10 1401.569523 13.2645 BFGS: 323 14:18:11 1399.832366 13.2437 BFGS: 324 14:18:12 1398.099297 13.2228 BFGS: 325 14:18:13 1396.370301 13.2020 BFGS: 326 14:18:14 1394.645367 13.1812 BFGS: 327 14:18:14 1392.924483 13.1605 BFGS: 328 14:18:15 1391.207635 13.1397 BFGS: 329 14:18:16 1389.494812 13.1190 BFGS: 330 14:18:17 1387.786001 13.0983 BFGS: 331 14:18:17 1386.081190 13.0776 BFGS: 332 14:18:18 1384.380368 13.0570 BFGS: 333 14:18:19 1382.683521 13.0364 BFGS: 334 14:18:20 1380.990637 13.0158 BFGS: 335 14:18:20 1379.301706 12.9952 BFGS: 336 14:18:21 1377.616714 12.9747 BFGS: 337 14:18:22 1375.935650 12.9541 BFGS: 338 14:18:22 1374.258502 12.9336 BFGS: 339 14:18:23 1372.585259 12.9132 BFGS: 340 14:18:24 1370.915908 12.8927 BFGS: 341 14:18:25 1369.250438 12.8723 BFGS: 342 14:18:25 1367.588837 12.8519 BFGS: 343 14:18:26 1365.931094 12.8315 BFGS: 344 14:18:26 1364.277197 12.8111 BFGS: 345 14:18:27 1362.627134 12.7908 BFGS: 346 14:18:27 1360.980895 12.7705 BFGS: 347 14:18:28 1359.338467 12.7502 BFGS: 348 14:18:28 1357.699840 12.7299 BFGS: 349 14:18:28 1356.065002 12.7097 BFGS: 350 14:18:28 1354.433941 12.6895 BFGS: 351 14:18:28 1352.806648 12.6693 BFGS: 352 14:18:28 1351.183109 12.6491 BFGS: 353 14:18:29 1349.563315 12.6289 BFGS: 354 14:18:29 1347.947185 12.6097 BFGS: 355 14:18:29 1346.334377 12.5916 BFGS: 356 14:18:30 1344.724718 12.5759 BFGS: 357 14:18:30 1343.119640 12.5602 BFGS: 358 14:18:31 1341.519034 12.5446 BFGS: 359 14:18:32 1339.922801 12.5291 BFGS: 360 14:18:33 1338.330845 12.5136 BFGS: 361 14:18:33 1336.743079 12.4982 BFGS: 362 14:18:34 1335.159418 12.4828 BFGS: 363 14:18:34 1333.579783 12.4675 BFGS: 364 14:18:35 1332.004099 12.4522 BFGS: 365 14:18:35 1330.432294 12.4370 BFGS: 366 14:18:36 1328.864299 12.4219 BFGS: 367 14:18:37 1327.300047 12.4067 BFGS: 368 14:18:38 1325.739478 12.3917 BFGS: 369 14:18:39 1324.182529 12.3766 BFGS: 370 14:18:40 1322.629145 12.3617 BFGS: 371 14:18:40 1321.079269 12.3467 BFGS: 372 14:18:41 1319.532849 12.3318 BFGS: 373 14:18:42 1317.989833 12.3170 BFGS: 374 14:18:43 1316.450174 12.3022 BFGS: 375 14:18:44 1314.913824 12.2874 BFGS: 376 14:18:45 1313.380738 12.2727 BFGS: 377 14:18:46 1311.850873 12.2580 BFGS: 378 14:18:47 1310.324186 12.2433 BFGS: 379 14:18:48 1308.800639 12.2287 BFGS: 380 14:18:48 1307.280191 12.2141 BFGS: 381 14:18:49 1305.762807 12.1996 BFGS: 382 14:18:50 1304.248449 12.1851 BFGS: 383 14:18:51 1302.737084 12.1706 BFGS: 384 14:18:51 1301.228678 12.1561 BFGS: 385 14:18:51 1299.723198 12.1417 BFGS: 386 14:18:51 1298.220615 12.1273 BFGS: 387 14:18:51 1296.720897 12.1130 BFGS: 388 14:18:52 1295.224016 12.0986 BFGS: 389 14:18:52 1293.729944 12.0844 BFGS: 390 14:18:52 1292.238654 12.0701 BFGS: 391 14:18:52 1290.750119 12.0558 BFGS: 392 14:18:52 1289.264315 12.0416 BFGS: 393 14:18:52 1287.781217 12.0275 BFGS: 394 14:18:53 1286.300801 12.0133 BFGS: 395 14:18:53 1284.823045 11.9992 BFGS: 396 14:18:53 1283.347926 11.9851 BFGS: 397 14:18:53 1281.875422 11.9710 BFGS: 398 14:18:53 1280.405514 11.9569 BFGS: 399 14:18:54 1278.938181 11.9429 BFGS: 400 14:18:55 1277.473404 11.9289 BFGS: 401 14:18:55 1276.011162 11.9149 BFGS: 402 14:18:55 1274.551439 11.9009 BFGS: 403 14:18:55 1273.094217 11.8870 BFGS: 404 14:18:55 1271.639477 11.8731 BFGS: 405 14:18:56 1270.187204 11.8592 BFGS: 406 14:18:56 1268.737381 11.8453 BFGS: 407 14:18:56 1267.289991 11.8315 BFGS: 408 14:18:56 1265.845021 11.8177 BFGS: 409 14:18:56 1264.402454 11.8039 BFGS: 410 14:18:56 1262.962277 11.7901 BFGS: 411 14:18:57 1261.524475 11.7763 BFGS: 412 14:18:58 1260.089035 11.7626 BFGS: 413 14:18:58 1258.655942 11.7488 BFGS: 414 14:18:59 1257.225185 11.7351 BFGS: 415 14:19:00 1255.796750 11.7214 BFGS: 416 14:19:01 1254.370625 11.7078 BFGS: 417 14:19:01 1252.946798 11.6941 BFGS: 418 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269.470175 6.0952 BFGS: 1869 14:34:33 269.134762 6.0919 BFGS: 1870 14:34:33 268.799619 6.0887 BFGS: 1871 14:34:33 268.464746 6.0854 BFGS: 1872 14:34:34 268.130144 6.0821 BFGS: 1873 14:34:35 267.795811 6.0789 BFGS: 1874 14:34:35 267.461749 6.0756 BFGS: 1875 14:34:35 267.127957 6.0723 BFGS: 1876 14:34:36 266.794435 6.0690 BFGS: 1877 14:34:37 266.461178 6.0658 BFGS: 1878 14:34:37 266.128210 6.0624 BFGS: 1879 14:34:38 265.795557 6.0588 BFGS: 1880 14:34:38 265.463219 6.0550 BFGS: 1881 14:34:39 265.131196 6.0511 BFGS: 1882 14:34:39 264.799490 6.0470 BFGS: 1883 14:34:40 264.468100 6.0429 BFGS: 1884 14:34:41 264.137029 6.0386 BFGS: 1885 14:34:41 263.806275 6.0343 BFGS: 1886 14:34:41 263.475841 6.0299 BFGS: 1887 14:34:42 263.145724 6.0255 BFGS: 1888 14:34:42 262.815927 6.0210 BFGS: 1889 14:34:43 262.486449 6.0164 BFGS: 1890 14:34:43 262.157291 6.0118 BFGS: 1891 14:34:44 261.828451 6.0072 BFGS: 1892 14:34:45 261.499931 6.0025 BFGS: 1893 14:34:45 261.171730 5.9978 BFGS: 1894 14:34:46 260.843848 5.9931 BFGS: 1895 14:34:46 260.516285 5.9883 BFGS: 1896 14:34:47 260.189041 5.9836 BFGS: 1897 14:34:47 259.862115 5.9788 BFGS: 1898 14:34:48 259.535507 5.9740 BFGS: 1899 14:34:48 259.209218 5.9692 BFGS: 1900 14:34:49 258.883246 5.9644 BFGS: 1901 14:34:49 258.557591 5.9595 BFGS: 1902 14:34:50 258.232254 5.9547 BFGS: 1903 14:34:50 257.907234 5.9498 BFGS: 1904 14:34:50 257.582530 5.9450 BFGS: 1905 14:34:51 257.258142 5.9401 BFGS: 1906 14:34:52 256.934071 5.9352 BFGS: 1907 14:34:52 256.610315 5.9304 BFGS: 1908 14:34:53 256.286874 5.9255 BFGS: 1909 14:34:53 255.963749 5.9206 BFGS: 1910 14:34:54 255.640938 5.9157 BFGS: 1911 14:34:55 255.318442 5.9108 BFGS: 1912 14:34:55 254.996260 5.9059 BFGS: 1913 14:34:56 254.674392 5.9010 BFGS: 1914 14:34:56 254.352837 5.8961 BFGS: 1915 14:34:57 254.031596 5.8912 BFGS: 1916 14:34:57 253.710668 5.8863 BFGS: 1917 14:34:58 253.390052 5.8814 BFGS: 1918 14:34:58 253.069749 5.8765 BFGS: 1919 14:34:59 252.749758 5.8716 BFGS: 1920 14:34:59 252.430079 5.8667 BFGS: 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235.927503 5.6059 BFGS: 1974 14:35:28 235.624348 5.6010 BFGS: 1975 14:35:28 235.321495 5.5961 BFGS: 1976 14:35:29 235.018943 5.5912 BFGS: 1977 14:35:29 234.716692 5.5863 BFGS: 1978 14:35:30 234.414741 5.5814 BFGS: 1979 14:35:30 234.113092 5.5765 BFGS: 1980 14:35:31 233.811742 5.5716 BFGS: 1981 14:35:32 233.510694 5.5668 BFGS: 1982 14:35:32 233.209945 5.5619 BFGS: 1983 14:35:33 232.909496 5.5570 BFGS: 1984 14:35:33 232.609348 5.5521 BFGS: 1985 14:35:34 232.309499 5.5472 BFGS: 1986 14:35:34 232.009949 5.5423 BFGS: 1987 14:35:35 231.710700 5.5374 BFGS: 1988 14:35:35 231.411749 5.5325 BFGS: 1989 14:35:36 231.113098 5.5277 BFGS: 1990 14:35:37 230.814746 5.5228 BFGS: 1991 14:35:37 230.516693 5.5179 BFGS: 1992 14:35:38 230.218939 5.5130 BFGS: 1993 14:35:38 229.921483 5.5081 BFGS: 1994 14:35:39 229.624326 5.5033 BFGS: 1995 14:35:39 229.327468 5.4984 BFGS: 1996 14:35:40 229.030908 5.4935 BFGS: 1997 14:35:40 228.734646 5.4886 BFGS: 1998 14:35:41 228.438682 5.4838 BFGS: 1999 14:35:41 228.143016 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205.717331 5.1035 BFGS: 2079 14:36:24 205.445372 5.0998 BFGS: 2080 14:36:25 205.173725 5.0962 BFGS: 2081 14:36:25 204.902387 5.0926 BFGS: 2082 14:36:26 204.631357 5.0891 BFGS: 2083 14:36:26 204.360633 5.0856 BFGS: 2084 14:36:27 204.090212 5.0822 BFGS: 2085 14:36:27 203.820094 5.0788 BFGS: 2086 14:36:28 203.550277 5.0754 BFGS: 2087 14:36:28 203.280759 5.0721 BFGS: 2088 14:36:29 203.011540 5.0688 BFGS: 2089 14:36:29 202.742616 5.0655 BFGS: 2090 14:36:30 202.473988 5.0622 BFGS: 2091 14:36:31 202.205654 5.0589 BFGS: 2092 14:36:31 201.937611 5.0556 BFGS: 2093 14:36:31 201.669860 5.0523 BFGS: 2094 14:36:31 201.402399 5.0491 BFGS: 2095 14:36:32 201.135226 5.0458 BFGS: 2096 14:36:32 200.868340 5.0425 BFGS: 2097 14:36:33 200.601740 5.0393 BFGS: 2098 14:36:33 200.335426 5.0360 BFGS: 2099 14:36:34 200.069395 5.0328 BFGS: 2100 14:36:35 199.803647 5.0295 BFGS: 2101 14:36:35 199.538180 5.0262 BFGS: 2102 14:36:36 199.272994 5.0230 BFGS: 2103 14:36:36 199.008088 5.0197 BFGS: 2104 14:36:37 198.743460 5.0164 BFGS: 2105 14:36:37 198.479109 5.0131 BFGS: 2106 14:36:37 198.215035 5.0098 BFGS: 2107 14:36:38 197.951236 5.0065 BFGS: 2108 14:36:38 197.687712 5.0032 BFGS: 2109 14:36:38 197.424461 4.9999 BFGS: 2110 14:36:38 197.161484 4.9966 BFGS: 2111 14:36:38 196.898778 4.9932 BFGS: 2112 14:36:39 196.636343 4.9899 BFGS: 2113 14:36:39 196.374178 4.9865 BFGS: 2114 14:36:39 196.112283 4.9832 BFGS: 2115 14:36:39 195.850656 4.9798 BFGS: 2116 14:36:40 195.589297 4.9764 BFGS: 2117 14:36:40 195.328205 4.9731 BFGS: 2118 14:36:41 195.067380 4.9697 BFGS: 2119 14:36:42 194.806819 4.9663 BFGS: 2120 14:36:42 194.546524 4.9629 BFGS: 2121 14:36:43 194.286493 4.9595 BFGS: 2122 14:36:44 194.026725 4.9560 BFGS: 2123 14:36:44 193.767219 4.9526 BFGS: 2124 14:36:45 193.507976 4.9492 BFGS: 2125 14:36:46 193.248995 4.9457 BFGS: 2126 14:36:46 192.990274 4.9423 BFGS: 2127 14:36:47 192.731813 4.9388 BFGS: 2128 14:36:47 192.473612 4.9353 BFGS: 2129 14:36:48 192.215669 4.9319 BFGS: 2130 14:36:48 191.957985 4.9284 BFGS: 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154.272818 4.3314 BFGS: 2289 14:38:16 154.052675 4.3276 BFGS: 2290 14:38:16 153.832757 4.3237 BFGS: 2291 14:38:17 153.613064 4.3198 BFGS: 2292 14:38:18 153.393595 4.3159 BFGS: 2293 14:38:18 153.174350 4.3120 BFGS: 2294 14:38:19 152.955330 4.3081 BFGS: 2295 14:38:19 152.736534 4.3042 BFGS: 2296 14:38:19 152.517962 4.3003 BFGS: 2297 14:38:20 152.299615 4.2965 BFGS: 2298 14:38:21 152.081491 4.2926 BFGS: 2299 14:38:21 151.863591 4.2887 BFGS: 2300 14:38:22 151.645915 4.2848 BFGS: 2301 14:38:22 151.428463 4.2809 BFGS: 2302 14:38:22 151.211234 4.2770 BFGS: 2303 14:38:23 150.994229 4.2731 BFGS: 2304 14:38:23 150.777448 4.2692 BFGS: 2305 14:38:24 150.560889 4.2654 BFGS: 2306 14:38:25 150.344555 4.2615 BFGS: 2307 14:38:25 150.128443 4.2576 BFGS: 2308 14:38:26 149.912554 4.2537 BFGS: 2309 14:38:27 149.696889 4.2498 BFGS: 2310 14:38:27 149.481447 4.2459 BFGS: 2311 14:38:27 149.266227 4.2420 BFGS: 2312 14:38:28 149.051230 4.2381 BFGS: 2313 14:38:28 148.836457 4.2342 BFGS: 2314 14:38:29 148.621905 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132.369633 3.9239 BFGS: 2394 14:39:10 132.172657 3.9200 BFGS: 2395 14:39:10 131.975898 3.9162 BFGS: 2396 14:39:11 131.779356 3.9123 BFGS: 2397 14:39:11 131.583031 3.9084 BFGS: 2398 14:39:11 131.386922 3.9046 BFGS: 2399 14:39:11 131.191030 3.9007 BFGS: 2400 14:39:12 130.995355 3.8968 BFGS: 2401 14:39:12 130.799896 3.8930 BFGS: 2402 14:39:12 130.604653 3.8891 BFGS: 2403 14:39:12 130.409627 3.8852 BFGS: 2404 14:39:12 130.214817 3.8814 BFGS: 2405 14:39:12 130.020223 3.8775 BFGS: 2406 14:39:12 129.825845 3.8736 BFGS: 2407 14:39:13 129.631684 3.8698 BFGS: 2408 14:39:13 129.437738 3.8659 BFGS: 2409 14:39:13 129.244009 3.8621 BFGS: 2410 14:39:13 129.050495 3.8582 BFGS: 2411 14:39:13 128.857197 3.8543 BFGS: 2412 14:39:13 128.664115 3.8505 BFGS: 2413 14:39:13 128.471249 3.8466 BFGS: 2414 14:39:14 128.278598 3.8428 BFGS: 2415 14:39:14 128.086163 3.8389 BFGS: 2416 14:39:14 127.893943 3.8350 BFGS: 2417 14:39:14 127.701939 3.8312 BFGS: 2418 14:39:14 127.510150 3.8273 BFGS: 2419 14:39:14 127.318576 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112.859134 3.5201 BFGS: 2499 14:39:43 112.684577 3.5163 BFGS: 2500 14:39:43 112.510231 3.5124 BFGS: 2501 14:39:44 112.336095 3.5086 BFGS: 2502 14:39:44 112.162169 3.5048 BFGS: 2503 14:39:45 111.988452 3.5010 BFGS: 2504 14:39:45 111.814946 3.4971 BFGS: 2505 14:39:46 111.641650 3.4933 BFGS: 2506 14:39:46 111.468563 3.4895 BFGS: 2507 14:39:47 111.295687 3.4857 BFGS: 2508 14:39:48 111.123019 3.4819 BFGS: 2509 14:39:48 110.950562 3.4780 BFGS: 2510 14:39:49 110.778314 3.4742 BFGS: 2511 14:39:49 110.606275 3.4704 BFGS: 2512 14:39:50 110.434446 3.4666 BFGS: 2513 14:39:50 110.262827 3.4628 BFGS: 2514 14:39:51 110.091416 3.4590 BFGS: 2515 14:39:51 109.920215 3.4551 BFGS: 2516 14:39:52 109.749223 3.4513 BFGS: 2517 14:39:52 109.578440 3.4475 BFGS: 2518 14:39:53 109.407866 3.4437 BFGS: 2519 14:39:53 109.237502 3.4399 BFGS: 2520 14:39:54 109.067346 3.4361 BFGS: 2521 14:39:55 108.897399 3.4323 BFGS: 2522 14:39:55 108.727661 3.4284 BFGS: 2523 14:39:56 108.558131 3.4246 BFGS: 2524 14:39:57 108.388810 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36.885719 1.8555 BFGS: 3118 14:44:24 36.802500 1.8533 BFGS: 3119 14:44:24 36.719389 1.8510 BFGS: 3120 14:44:25 36.636388 1.8488 BFGS: 3121 14:44:25 36.553495 1.8465 BFGS: 3122 14:44:26 36.470711 1.8443 BFGS: 3123 14:44:26 36.388035 1.8420 BFGS: 3124 14:44:27 36.305468 1.8398 BFGS: 3125 14:44:27 36.223010 1.8376 BFGS: 3126 14:44:27 36.140660 1.8353 BFGS: 3127 14:44:28 36.058418 1.8331 BFGS: 3128 14:44:28 35.976285 1.8308 BFGS: 3129 14:44:29 35.894260 1.8286 BFGS: 3130 14:44:29 35.812344 1.8264 BFGS: 3131 14:44:30 35.730535 1.8241 BFGS: 3132 14:44:30 35.648835 1.8219 BFGS: 3133 14:44:31 35.567243 1.8197 BFGS: 3134 14:44:31 35.485759 1.8174 BFGS: 3135 14:44:31 35.404383 1.8152 BFGS: 3136 14:44:31 35.323115 1.8130 BFGS: 3137 14:44:31 35.241955 1.8107 BFGS: 3138 14:44:31 35.160903 1.8085 BFGS: 3139 14:44:31 35.079958 1.8063 BFGS: 3140 14:44:32 34.999122 1.8040 BFGS: 3141 14:44:32 34.918393 1.8018 BFGS: 3142 14:44:32 34.837771 1.7996 BFGS: 3143 14:44:32 34.757257 1.7974 BFGS: 3144 14:44:32 34.676851 1.7951 BFGS: 3145 14:44:32 34.596552 1.7929 BFGS: 3146 14:44:33 34.516361 1.7907 BFGS: 3147 14:44:33 34.436277 1.7885 BFGS: 3148 14:44:33 34.356301 1.7862 BFGS: 3149 14:44:33 34.276431 1.7840 BFGS: 3150 14:44:33 34.196669 1.7818 BFGS: 3151 14:44:34 34.117014 1.7796 BFGS: 3152 14:44:34 34.037466 1.7773 BFGS: 3153 14:44:34 33.958026 1.7751 BFGS: 3154 14:44:35 33.878692 1.7729 BFGS: 3155 14:44:35 33.799465 1.7707 BFGS: 3156 14:44:36 33.720345 1.7685 BFGS: 3157 14:44:36 33.641332 1.7662 BFGS: 3158 14:44:36 33.562426 1.7640 BFGS: 3159 14:44:36 33.483627 1.7618 BFGS: 3160 14:44:37 33.404934 1.7596 BFGS: 3161 14:44:37 33.326348 1.7574 BFGS: 3162 14:44:38 33.247868 1.7552 BFGS: 3163 14:44:38 33.169495 1.7529 BFGS: 3164 14:44:38 33.091229 1.7507 BFGS: 3165 14:44:39 33.013069 1.7485 BFGS: 3166 14:44:39 32.935015 1.7463 BFGS: 3167 14:44:40 32.857068 1.7441 BFGS: 3168 14:44:40 32.779227 1.7419 BFGS: 3169 14:44:40 32.701492 1.7397 BFGS: 3170 14:44:41 32.623864 1.7375 BFGS: 3171 14:44:41 32.546341 1.7353 BFGS: 3172 14:44:42 32.468925 1.7330 BFGS: 3173 14:44:42 32.391614 1.7308 BFGS: 3174 14:44:42 32.314410 1.7286 BFGS: 3175 14:44:43 32.237312 1.7264 BFGS: 3176 14:44:43 32.160319 1.7242 BFGS: 3177 14:44:44 32.083432 1.7220 BFGS: 3178 14:44:44 32.006651 1.7198 BFGS: 3179 14:44:45 31.929976 1.7176 BFGS: 3180 14:44:45 31.853406 1.7154 BFGS: 3181 14:44:46 31.776942 1.7132 BFGS: 3182 14:44:46 31.700584 1.7110 BFGS: 3183 14:44:46 31.624331 1.7088 BFGS: 3184 14:44:47 31.548183 1.7066 BFGS: 3185 14:44:47 31.472141 1.7044 BFGS: 3186 14:44:48 31.396204 1.7022 BFGS: 3187 14:44:48 31.320373 1.7000 BFGS: 3188 14:44:49 31.244647 1.6978 BFGS: 3189 14:44:49 31.169026 1.6956 BFGS: 3190 14:44:50 31.093510 1.6934 BFGS: 3191 14:44:50 31.018099 1.6912 BFGS: 3192 14:44:51 30.942793 1.6890 BFGS: 3193 14:44:51 30.867593 1.6868 BFGS: 3194 14:44:51 30.792497 1.6846 BFGS: 3195 14:44:52 30.717506 1.6824 BFGS: 3196 14:44:52 30.642620 1.6802 BFGS: 3197 14:44:53 30.567839 1.6781 BFGS: 3198 14:44:53 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0.6336 BFGS: 3716 14:47:24 4.744741 0.6317 BFGS: 3717 14:47:24 4.717911 0.6299 BFGS: 3718 14:47:24 4.691161 0.6281 BFGS: 3719 14:47:25 4.664492 0.6262 BFGS: 3720 14:47:25 4.637903 0.6244 BFGS: 3721 14:47:25 4.611395 0.6225 BFGS: 3722 14:47:25 4.584967 0.6207 BFGS: 3723 14:47:25 4.558619 0.6188 BFGS: 3724 14:47:25 4.532352 0.6170 BFGS: 3725 14:47:25 4.506165 0.6152 BFGS: 3726 14:47:26 4.480059 0.6133 BFGS: 3727 14:47:26 4.454033 0.6115 BFGS: 3728 14:47:26 4.428086 0.6096 BFGS: 3729 14:47:26 4.402221 0.6078 BFGS: 3730 14:47:26 4.376435 0.6060 BFGS: 3731 14:47:26 4.350729 0.6041 BFGS: 3732 14:47:26 4.325103 0.6023 BFGS: 3733 14:47:26 4.299557 0.6005 BFGS: 3734 14:47:26 4.274092 0.5986 BFGS: 3735 14:47:27 4.248706 0.5968 BFGS: 3736 14:47:27 4.223400 0.5950 BFGS: 3737 14:47:27 4.198173 0.5931 BFGS: 3738 14:47:27 4.173027 0.5913 BFGS: 3739 14:47:27 4.147960 0.5895 BFGS: 3740 14:47:27 4.122973 0.5876 BFGS: 3741 14:47:27 4.098066 0.5858 BFGS: 3742 14:47:28 4.073238 0.5840 BFGS: 3743 14:47:28 4.048490 0.5822 BFGS: 3744 14:47:28 4.023821 0.5803 BFGS: 3745 14:47:28 3.999232 0.5785 BFGS: 3746 14:47:28 3.974723 0.5767 BFGS: 3747 14:47:28 3.950293 0.5749 BFGS: 3748 14:47:28 3.925942 0.5730 BFGS: 3749 14:47:28 3.901670 0.5712 BFGS: 3750 14:47:28 3.877478 0.5694 BFGS: 3751 14:47:29 3.853365 0.5676 BFGS: 3752 14:47:29 3.829332 0.5657 BFGS: 3753 14:47:29 3.805377 0.5639 BFGS: 3754 14:47:29 3.781502 0.5621 BFGS: 3755 14:47:29 3.757706 0.5603 BFGS: 3756 14:47:29 3.733989 0.5584 BFGS: 3757 14:47:29 3.710350 0.5566 BFGS: 3758 14:47:29 3.686791 0.5548 BFGS: 3759 14:47:30 3.663311 0.5530 BFGS: 3760 14:47:30 3.639910 0.5512 BFGS: 3761 14:47:30 3.616588 0.5494 BFGS: 3762 14:47:30 3.593344 0.5475 BFGS: 3763 14:47:30 3.570179 0.5457 BFGS: 3764 14:47:30 3.547093 0.5439 BFGS: 3765 14:47:30 3.524086 0.5421 BFGS: 3766 14:47:30 3.501157 0.5403 BFGS: 3767 14:47:30 3.478307 0.5385 BFGS: 3768 14:47:31 3.455536 0.5367 BFGS: 3769 14:47:31 3.432843 0.5348 BFGS: 3770 14:47:31 3.410229 0.5330 BFGS: 3771 14:47:31 3.387693 0.5312 BFGS: 3772 14:47:31 3.365236 0.5294 BFGS: 3773 14:47:31 3.342857 0.5276 BFGS: 3774 14:47:31 3.320556 0.5258 BFGS: 3775 14:47:32 3.298334 0.5240 BFGS: 3776 14:47:32 3.276190 0.5222 BFGS: 3777 14:47:32 3.254124 0.5204 BFGS: 3778 14:47:32 3.232137 0.5186 BFGS: 3779 14:47:32 3.210227 0.5168 BFGS: 3780 14:47:32 3.188396 0.5150 BFGS: 3781 14:47:32 3.166643 0.5132 BFGS: 3782 14:47:32 3.144968 0.5113 BFGS: 3783 14:47:32 3.123371 0.5095 BFGS: 3784 14:47:33 3.101852 0.5077 BFGS: 3785 14:47:33 3.080410 0.5059 BFGS: 3786 14:47:33 3.059047 0.5041 BFGS: 3787 14:47:33 3.037762 0.5023 BFGS: 3788 14:47:33 3.016554 0.5005 BFGS: 3789 14:47:33 2.995424 0.4987 BFGS: 3790 14:47:33 2.974372 0.4969 BFGS: 3791 14:47:33 2.953398 0.4951 BFGS: 3792 14:47:33 2.932501 0.4933 BFGS: 3793 14:47:34 2.911682 0.4915 BFGS: 3794 14:47:34 2.890940 0.4897 BFGS: 3795 14:47:34 2.870277 0.4880 BFGS: 3796 14:47:34 2.849690 0.4862 BFGS: 3797 14:47:34 2.829181 0.4844 BFGS: 3798 14:47:34 2.808750 0.4826 BFGS: 3799 14:47:34 2.788395 0.4808 BFGS: 3800 14:47:35 2.768119 0.4790 BFGS: 3801 14:47:35 2.747919 0.4772 BFGS: 3802 14:47:35 2.727797 0.4754 BFGS: 3803 14:47:35 2.707752 0.4736 BFGS: 3804 14:47:35 2.687784 0.4718 BFGS: 3805 14:47:35 2.667894 0.4700 BFGS: 3806 14:47:35 2.648080 0.4682 BFGS: 3807 14:47:35 2.628344 0.4665 BFGS: 3808 14:47:35 2.608685 0.4647 BFGS: 3809 14:47:36 2.589103 0.4629 BFGS: 3810 14:47:36 2.569597 0.4611 BFGS: 3811 14:47:36 2.550169 0.4593 BFGS: 3812 14:47:36 2.530817 0.4575 BFGS: 3813 14:47:36 2.511543 0.4557 BFGS: 3814 14:47:36 2.492345 0.4539 BFGS: 3815 14:47:36 2.473224 0.4522 BFGS: 3816 14:47:37 2.454180 0.4504 BFGS: 3817 14:47:37 2.435212 0.4486 BFGS: 3818 14:47:37 2.416321 0.4468 BFGS: 3819 14:47:37 2.397507 0.4450 BFGS: 3820 14:47:37 2.378770 0.4433 BFGS: 3821 14:47:37 2.360109 0.4415 BFGS: 3822 14:47:37 2.341524 0.4397 BFGS: 3823 14:47:37 2.323016 0.4379 BFGS: 3824 14:47:38 2.304584 0.4361 BFGS: 3825 14:47:38 2.286229 0.4344 BFGS: 3826 14:47:38 2.267950 0.4326 BFGS: 3827 14:47:38 2.249748 0.4308 BFGS: 3828 14:47:38 2.231622 0.4290 BFGS: 3829 14:47:38 2.213572 0.4273 BFGS: 3830 14:47:38 2.195598 0.4255 BFGS: 3831 14:47:38 2.177701 0.4237 BFGS: 3832 14:47:39 2.159879 0.4219 BFGS: 3833 14:47:39 2.142134 0.4202 BFGS: 3834 14:47:39 2.124465 0.4184 BFGS: 3835 14:47:39 2.106872 0.4166 BFGS: 3836 14:47:39 2.089354 0.4148 BFGS: 3837 14:47:39 2.071913 0.4131 BFGS: 3838 14:47:39 2.054548 0.4113 BFGS: 3839 14:47:39 2.037259 0.4095 BFGS: 3840 14:47:40 2.020045 0.4078 BFGS: 3841 14:47:40 2.002907 0.4060 BFGS: 3842 14:47:40 1.985845 0.4042 BFGS: 3843 14:47:40 1.968859 0.4025 BFGS: 3844 14:47:40 1.951949 0.4007 BFGS: 3845 14:47:40 1.935114 0.3989 BFGS: 3846 14:47:40 1.918355 0.3972 BFGS: 3847 14:47:41 1.901671 0.3954 BFGS: 3848 14:47:41 1.885063 0.3936 BFGS: 3849 14:47:41 1.868530 0.3919 BFGS: 3850 14:47:41 1.852073 0.3901 BFGS: 3851 14:47:41 1.835692 0.3884 BFGS: 3852 14:47:41 1.819386 0.3866 BFGS: 3853 14:47:41 1.803155 0.3848 BFGS: 3854 14:47:41 1.786999 0.3831 BFGS: 3855 14:47:42 1.770919 0.3813 BFGS: 3856 14:47:42 1.754914 0.3796 BFGS: 3857 14:47:42 1.738984 0.3778 BFGS: 3858 14:47:42 1.723130 0.3760 BFGS: 3859 14:47:42 1.707350 0.3743 BFGS: 3860 14:47:42 1.691646 0.3725 BFGS: 3861 14:47:42 1.676017 0.3708 BFGS: 3862 14:47:42 1.660463 0.3690 BFGS: 3863 14:47:42 1.644983 0.3673 BFGS: 3864 14:47:43 1.629579 0.3655 BFGS: 3865 14:47:43 1.614250 0.3638 BFGS: 3866 14:47:43 1.598995 0.3620 BFGS: 3867 14:47:43 1.583816 0.3603 BFGS: 3868 14:47:43 1.568711 0.3585 BFGS: 3869 14:47:43 1.553681 0.3567 BFGS: 3870 14:47:43 1.538726 0.3550 BFGS: 3871 14:47:44 1.523846 0.3532 BFGS: 3872 14:47:44 1.509040 0.3515 BFGS: 3873 14:47:44 1.494309 0.3497 BFGS: 3874 14:47:44 1.479652 0.3480 BFGS: 3875 14:47:44 1.465070 0.3463 BFGS: 3876 14:47:44 1.450563 0.3445 BFGS: 3877 14:47:44 1.436130 0.3428 BFGS: 3878 14:47:44 1.421771 0.3410 BFGS: 3879 14:47:45 1.407487 0.3393 BFGS: 3880 14:47:45 1.393278 0.3375 BFGS: 3881 14:47:45 1.379142 0.3358 BFGS: 3882 14:47:45 1.365081 0.3340 BFGS: 3883 14:47:45 1.351095 0.3323 BFGS: 3884 14:47:45 1.337182 0.3306 BFGS: 3885 14:47:45 1.323344 0.3288 BFGS: 3886 14:47:45 1.309580 0.3271 BFGS: 3887 14:47:46 1.295890 0.3253 BFGS: 3888 14:47:46 1.282274 0.3236 BFGS: 3889 14:47:46 1.268732 0.3218 BFGS: 3890 14:47:46 1.255264 0.3201 BFGS: 3891 14:47:46 1.241871 0.3184 BFGS: 3892 14:47:46 1.228551 0.3166 BFGS: 3893 14:47:46 1.215305 0.3149 BFGS: 3894 14:47:46 1.202133 0.3132 BFGS: 3895 14:47:47 1.189035 0.3114 BFGS: 3896 14:47:47 1.176010 0.3097 BFGS: 3897 14:47:47 1.163060 0.3080 BFGS: 3898 14:47:47 1.150183 0.3062 BFGS: 3899 14:47:47 1.137380 0.3045 BFGS: 3900 14:47:47 1.124650 0.3028 BFGS: 3901 14:47:47 1.111995 0.3010 BFGS: 3902 14:47:48 1.099413 0.2993 BFGS: 3903 14:47:48 1.086904 0.2976 BFGS: 3904 14:47:48 1.074469 0.2958 BFGS: 3905 14:47:48 1.062107 0.2941 BFGS: 3906 14:47:48 1.049819 0.2924 BFGS: 3907 14:47:48 1.037604 0.2906 BFGS: 3908 14:47:49 1.025463 0.2889 BFGS: 3909 14:47:49 1.013395 0.2872 BFGS: 3910 14:47:49 1.001401 0.2855 BFGS: 3911 14:47:49 0.989479 0.2837 BFGS: 3912 14:47:49 0.977631 0.2820 BFGS: 3913 14:47:49 0.965856 0.2803 BFGS: 3914 14:47:49 0.954155 0.2786 BFGS: 3915 14:47:50 0.942526 0.2768 BFGS: 3916 14:47:50 0.930971 0.2751 BFGS: 3917 14:47:50 0.919488 0.2734 BFGS: 3918 14:47:50 0.908079 0.2717 BFGS: 3919 14:47:50 0.896743 0.2699 BFGS: 3920 14:47:50 0.885480 0.2682 BFGS: 3921 14:47:51 0.874289 0.2665 BFGS: 3922 14:47:51 0.863172 0.2648 BFGS: 3923 14:47:51 0.852127 0.2631 BFGS: 3924 14:47:51 0.841155 0.2613 BFGS: 3925 14:47:51 0.830256 0.2596 BFGS: 3926 14:47:51 0.819430 0.2579 BFGS: 3927 14:47:51 0.808677 0.2562 BFGS: 3928 14:47:51 0.797996 0.2545 BFGS: 3929 14:47:52 0.787388 0.2527 BFGS: 3930 14:47:52 0.776853 0.2510 BFGS: 3931 14:47:52 0.766390 0.2493 BFGS: 3932 14:47:52 0.755999 0.2476 BFGS: 3933 14:47:52 0.745682 0.2459 BFGS: 3934 14:47:53 0.735436 0.2442 BFGS: 3935 14:47:53 0.725263 0.2425 BFGS: 3936 14:47:53 0.715163 0.2408 BFGS: 3937 14:47:53 0.705135 0.2390 BFGS: 3938 14:47:53 0.695179 0.2373 BFGS: 3939 14:47:53 0.685296 0.2356 BFGS: 3940 14:47:54 0.675485 0.2339 BFGS: 3941 14:47:54 0.665746 0.2322 BFGS: 3942 14:47:54 0.656080 0.2305 BFGS: 3943 14:47:54 0.646485 0.2288 BFGS: 3944 14:47:54 0.636963 0.2271 BFGS: 3945 14:47:54 0.627513 0.2254 BFGS: 3946 14:47:54 0.618135 0.2237 BFGS: 3947 14:47:55 0.608829 0.2220 BFGS: 3948 14:47:55 0.599595 0.2202 BFGS: 3949 14:47:55 0.590433 0.2185 BFGS: 3950 14:47:55 0.581343 0.2168 BFGS: 3951 14:47:55 0.572324 0.2151 BFGS: 3952 14:47:55 0.563378 0.2134 BFGS: 3953 14:47:55 0.554504 0.2117 BFGS: 3954 14:47:55 0.545701 0.2100 BFGS: 3955 14:47:56 0.536970 0.2083 BFGS: 3956 14:47:56 0.528311 0.2066 BFGS: 3957 14:47:56 0.519724 0.2049 BFGS: 3958 14:47:56 0.511208 0.2032 BFGS: 3959 14:47:56 0.502764 0.2015 BFGS: 3960 14:47:56 0.494391 0.1998 BFGS: 3961 14:47:57 0.486091 0.1981 BFGS: 3962 14:47:57 0.477861 0.1964 BFGS: 3963 14:47:57 0.469703 0.1947 BFGS: 3964 14:47:57 0.461617 0.1930 BFGS: 3965 14:47:57 0.453602 0.1913 BFGS: 3966 14:47:57 0.445659 0.1896 BFGS: 3967 14:47:57 0.437787 0.1879 BFGS: 3968 14:47:58 0.429986 0.1862 BFGS: 3969 14:47:58 0.422256 0.1846 BFGS: 3970 14:47:58 0.414598 0.1829 BFGS: 3971 14:47:58 0.407011 0.1812 BFGS: 3972 14:47:58 0.399495 0.1795 BFGS: 3973 14:47:58 0.392051 0.1778 BFGS: 3974 14:47:59 0.384677 0.1761 BFGS: 3975 14:47:59 0.377375 0.1744 BFGS: 3976 14:47:59 0.370144 0.1727 BFGS: 3977 14:47:59 0.362984 0.1710 BFGS: 3978 14:47:59 0.355895 0.1693 BFGS: 3979 14:47:59 0.348876 0.1676 BFGS: 3980 14:48:00 0.341929 0.1660 BFGS: 3981 14:48:00 0.335053 0.1643 BFGS: 3982 14:48:00 0.328247 0.1626 BFGS: 3983 14:48:00 0.321513 0.1609 BFGS: 3984 14:48:00 0.314849 0.1592 BFGS: 3985 14:48:00 0.308256 0.1575 BFGS: 3986 14:48:01 0.301734 0.1558 BFGS: 3987 14:48:01 0.295282 0.1542 BFGS: 3988 14:48:01 0.288902 0.1525 BFGS: 3989 14:48:01 0.282591 0.1508 BFGS: 3990 14:48:01 0.276352 0.1491 BFGS: 3991 14:48:01 0.270183 0.1474 BFGS: 3992 14:48:02 0.264084 0.1457 BFGS: 3993 14:48:02 0.258057 0.1441 BFGS: 3994 14:48:02 0.252099 0.1424 BFGS: 3995 14:48:02 0.246212 0.1407 BFGS: 3996 14:48:02 0.240396 0.1390 BFGS: 3997 14:48:03 0.234650 0.1373 BFGS: 3998 14:48:03 0.228974 0.1357 BFGS: 3999 14:48:03 0.223368 0.1340 BFGS: 4000 14:48:04 0.217833 0.1323 BFGS: 4001 14:48:04 0.212368 0.1306 BFGS: 4002 14:48:05 0.206974 0.1289 BFGS: 4003 14:48:05 0.201649 0.1273 BFGS: 4004 14:48:06 0.196395 0.1256 BFGS: 4005 14:48:06 0.191211 0.1239 BFGS: 4006 14:48:06 0.186097 0.1222 BFGS: 4007 14:48:07 0.181053 0.1206 BFGS: 4008 14:48:07 0.176079 0.1189 BFGS: 4009 14:48:08 0.171175 0.1172 BFGS: 4010 14:48:08 0.166341 0.1156 BFGS: 4011 14:48:09 0.161577 0.1139 BFGS: 4012 14:48:09 0.156883 0.1122 BFGS: 4013 14:48:09 0.152259 0.1105 BFGS: 4014 14:48:10 0.147705 0.1089 BFGS: 4015 14:48:10 0.143220 0.1072 BFGS: 4016 14:48:11 0.138806 0.1055 BFGS: 4017 14:48:11 0.134461 0.1039 BFGS: 4018 14:48:11 0.130186 0.1022 BFGS: 4019 14:48:12 0.125980 0.1005 BFGS: 4020 14:48:12 0.121844 0.0989 BFGS: 4021 14:48:13 0.117778 0.0972 BFGS: 4022 14:48:13 0.113781 0.0955 BFGS: 4023 14:48:14 0.109854 0.0939 BFGS: 4024 14:48:14 0.105997 0.0922 BFGS: 4025 14:48:15 0.102209 0.0905 BFGS: 4026 14:48:15 0.098490 0.0889 BFGS: 4027 14:48:16 0.094841 0.0872 BFGS: 4028 14:48:16 0.091261 0.0855 BFGS: 4029 14:48:17 0.087751 0.0839 BFGS: 4030 14:48:17 0.084310 0.0822 BFGS: 4031 14:48:17 0.080938 0.0805 BFGS: 4032 14:48:18 0.077636 0.0789 BFGS: 4033 14:48:18 0.074403 0.0772 BFGS: 4034 14:48:18 0.071239 0.0756 BFGS: 4035 14:48:19 0.068144 0.0739 BFGS: 4036 14:48:19 0.065119 0.0722 BFGS: 4037 14:48:20 0.062162 0.0706 BFGS: 4038 14:48:20 0.059275 0.0689 BFGS: 4039 14:48:21 0.056457 0.0673 BFGS: 4040 14:48:21 0.053707 0.0656 BFGS: 4041 14:48:21 0.051027 0.0639 BFGS: 4042 14:48:22 0.048416 0.0623 BFGS: 4043 14:48:22 0.045874 0.0606 BFGS: 4044 14:48:23 0.043400 0.0590 BFGS: 4045 14:48:23 0.040996 0.0573 BFGS: 4046 14:48:24 0.038660 0.0557 BFGS: 4047 14:48:24 0.036394 0.0540 BFGS: 4048 14:48:24 0.034196 0.0523 BFGS: 4049 14:48:25 0.032066 0.0507 BFGS: 4050 14:48:25 0.030006 0.0490 BFGS: 4051 14:48:26 0.028014 0.0474 BFGS: 4052 14:48:26 0.026091 0.0457 BFGS: 4053 14:48:27 0.024237 0.0441 BFGS: 4054 14:48:27 0.022451 0.0424 BFGS: 4055 14:48:28 0.020733 0.0408 BFGS: 4056 14:48:28 0.019085 0.0391 BFGS: 4057 14:48:28 0.017504 0.0375 BFGS: 4058 14:48:29 0.015993 0.0358 BFGS: 4059 14:48:29 0.014549 0.0342 BFGS: 4060 14:48:30 0.013175 0.0325 BFGS: 4061 14:48:30 0.011868 0.0309 BFGS: 4062 14:48:31 0.010630 0.0292 BFGS: 4063 14:48:31 0.009461 0.0276 BFGS: 4064 14:48:31 0.008359 0.0259 BFGS: 4065 14:48:32 0.007326 0.0242 BFGS: 4066 14:48:32 0.006361 0.0226 BFGS: 4067 14:48:32 0.005465 0.0209 BFGS: 4068 14:48:33 0.004636 0.0193 BFGS: 4069 14:48:33 0.003876 0.0176 BFGS: 4070 14:48:33 0.003184 0.0160 BFGS: 4071 14:48:34 0.002560 0.0143 BFGS: 4072 14:48:34 0.002004 0.0127 BFGS: 4073 14:48:35 0.001516 0.0110 BFGS: 4074 14:48:35 0.001096 0.0094 BFGS: 4075 14:48:35 0.000744 0.0077 BFGS: 4076 14:48:36 0.000460 0.0061 BFGS: 4077 14:48:36 0.000244 0.0044 BFGS: 4078 14:48:36 0.000096 0.0028 BFGS: 4079 14:48:37 0.000016 0.0011 BFGS: 4080 14:48:37 0.000000 0.0002 BFGS: 4081 14:48:38 0.000000 0.0001 BFGS: 4082 14:48:38 -0.000000 0.0000 BFGS: 4083 14:48:39 -0.000000 0.0000 Minimization converged after 4083 steps. Maximum force component: 4.855077293822169e-13 eV/Angstrom Maximum stress component: 1.6054686835665083e-15 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 0.00000000e+00 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 3.66363855e-32] [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] [9.13796708e-01 9.13796708e-01 9.13796708e-01] [8.62032918e-02 5.86203292e-01 4.13796708e-01] [5.86203292e-01 4.13796708e-01 8.62032918e-02] [4.13796708e-01 8.62032918e-02 5.86203292e-01] [6.63796708e-01 1.63796708e-01 8.36203292e-01] [3.36203292e-01 3.36203292e-01 3.36203292e-01] [1.63796708e-01 8.36203292e-01 6.63796708e-01] [8.36203292e-01 6.63796708e-01 1.63796708e-01] [1.63796708e-01 6.63796708e-01 8.36203292e-01] [6.63796708e-01 8.36203292e-01 1.63796708e-01] [8.36203292e-01 1.63796708e-01 6.63796708e-01] [5.86203292e-01 8.62032918e-02 4.13796708e-01] [8.62032918e-02 4.13796708e-01 5.86203292e-01] [4.13796708e-01 5.86203292e-01 8.62032918e-02] [9.13796708e-01 4.13796708e-01 4.13796708e-01] [8.62032918e-02 8.62032918e-02 9.13796708e-01] [5.86203292e-01 9.13796708e-01 5.86203292e-01] [6.63796708e-01 6.63796708e-01 3.36203292e-01] [3.36203292e-01 8.36203292e-01 8.36203292e-01] [1.63796708e-01 3.36203292e-01 1.63796708e-01] [1.63796708e-01 1.63796708e-01 3.36203292e-01] [6.63796708e-01 3.36203292e-01 6.63796708e-01] [5.86203292e-01 5.86203292e-01 9.13796708e-01] [8.62032918e-02 9.13796708e-01 8.62032918e-02] [4.13796708e-01 9.13796708e-01 4.13796708e-01] [9.13796708e-01 8.62032918e-02 8.62032918e-02] [8.36203292e-01 3.36203292e-01 8.36203292e-01] [3.36203292e-01 6.63796708e-01 6.63796708e-01] [3.36203292e-01 1.63796708e-01 1.63796708e-01] [9.13796708e-01 5.86203292e-01 5.86203292e-01] [4.13796708e-01 4.13796708e-01 9.13796708e-01] [8.36203292e-01 8.36203292e-01 3.36203292e-01] [4.24144074e-01 4.24144074e-01 2.53604667e-01] [5.75855926e-01 7.58559259e-02 7.53604667e-01] [7.58559259e-02 9.24144074e-01 7.46395333e-01] [9.24144074e-01 5.75855926e-01 2.46395333e-01] [2.53604667e-01 4.24144074e-01 4.24144074e-01] [7.53604667e-01 5.75855926e-01 7.58559259e-02] [7.46395333e-01 7.58559259e-02 9.24144074e-01] [2.46395333e-01 9.24144074e-01 5.75855926e-01] [4.24144074e-01 2.53604667e-01 4.24144074e-01] [7.58559259e-02 7.53604667e-01 5.75855926e-01] [9.24144074e-01 7.46395333e-01 7.58559259e-02] [5.75855926e-01 2.46395333e-01 9.24144074e-01] [1.74144074e-01 6.74144074e-01 4.96395333e-01] [8.25855926e-01 8.25855926e-01 9.96395333e-01] [6.74144074e-01 3.25855926e-01 3.60466716e-03] [3.25855926e-01 1.74144074e-01 5.03604667e-01] [1.74144074e-01 5.03604667e-01 3.25855926e-01] [3.25855926e-01 3.60466716e-03 6.74144074e-01] [8.25855926e-01 9.96395333e-01 8.25855926e-01] [6.74144074e-01 4.96395333e-01 1.74144074e-01] [3.60466716e-03 6.74144074e-01 3.25855926e-01] [5.03604667e-01 3.25855926e-01 1.74144074e-01] [4.96395333e-01 1.74144074e-01 6.74144074e-01] [9.96395333e-01 8.25855926e-01 8.25855926e-01] [6.74144074e-01 1.74144074e-01 4.96395333e-01] [1.74144074e-01 3.25855926e-01 5.03604667e-01] [3.25855926e-01 6.74144074e-01 3.60466716e-03] [4.96395333e-01 6.74144074e-01 1.74144074e-01] [5.03604667e-01 1.74144074e-01 3.25855926e-01] [3.60466716e-03 3.25855926e-01 6.74144074e-01] [1.74144074e-01 4.96395333e-01 6.74144074e-01] [3.25855926e-01 5.03604667e-01 1.74144074e-01] [6.74144074e-01 3.60466716e-03 3.25855926e-01] [7.58559259e-02 5.75855926e-01 7.53604667e-01] [5.75855926e-01 9.24144074e-01 2.46395333e-01] [9.24144074e-01 7.58559259e-02 7.46395333e-01] [7.58559259e-02 7.46395333e-01 9.24144074e-01] [9.24144074e-01 2.46395333e-01 5.75855926e-01] [5.75855926e-01 7.53604667e-01 7.58559259e-02] [2.46395333e-01 5.75855926e-01 9.24144074e-01] [7.46395333e-01 9.24144074e-01 7.58559259e-02] [7.53604667e-01 7.58559259e-02 5.75855926e-01] [4.24144074e-01 9.24144074e-01 7.53604667e-01] [5.75855926e-01 5.75855926e-01 2.53604667e-01] [7.58559259e-02 4.24144074e-01 2.46395333e-01] [2.53604667e-01 9.24144074e-01 9.24144074e-01] [7.46395333e-01 5.75855926e-01 4.24144074e-01] [2.46395333e-01 4.24144074e-01 7.58559259e-02] [4.24144074e-01 7.53604667e-01 9.24144074e-01] [7.58559259e-02 2.53604667e-01 7.58559259e-02] [5.75855926e-01 7.46395333e-01 4.24144074e-01] [1.74144074e-01 1.74144074e-01 9.96395333e-01] [8.25855926e-01 3.25855926e-01 4.96395333e-01] [6.74144074e-01 8.25855926e-01 5.03604667e-01] [1.74144074e-01 3.60466716e-03 8.25855926e-01] [8.25855926e-01 4.96395333e-01 3.25855926e-01] [6.74144074e-01 9.96395333e-01 6.74144074e-01] [3.60466716e-03 1.74144074e-01 8.25855926e-01] [5.03604667e-01 8.25855926e-01 6.74144074e-01] [9.96395333e-01 3.25855926e-01 3.25855926e-01] [6.74144074e-01 6.74144074e-01 9.96395333e-01] [1.74144074e-01 8.25855926e-01 3.60466716e-03] [5.03604667e-01 6.74144074e-01 8.25855926e-01] [3.60466716e-03 8.25855926e-01 1.74144074e-01] [1.74144074e-01 9.96395333e-01 1.74144074e-01] [6.74144074e-01 5.03604667e-01 8.25855926e-01] [7.58559259e-02 7.58559259e-02 2.53604667e-01] [5.75855926e-01 4.24144074e-01 7.46395333e-01] [7.58559259e-02 2.46395333e-01 4.24144074e-01] [5.75855926e-01 2.53604667e-01 5.75855926e-01] [2.46395333e-01 7.58559259e-02 4.24144074e-01] [7.46395333e-01 4.24144074e-01 5.75855926e-01] [9.24144074e-01 4.24144074e-01 7.53604667e-01] [4.24144074e-01 5.75855926e-01 7.46395333e-01] [7.53604667e-01 4.24144074e-01 9.24144074e-01] [2.53604667e-01 5.75855926e-01 5.75855926e-01] [9.24144074e-01 2.53604667e-01 9.24144074e-01] [4.24144074e-01 7.46395333e-01 5.75855926e-01] [3.25855926e-01 8.25855926e-01 4.96395333e-01] [8.25855926e-01 1.74144074e-01 3.60466716e-03] [8.25855926e-01 3.60466716e-03 1.74144074e-01] [3.25855926e-01 9.96395333e-01 3.25855926e-01] [9.96395333e-01 1.74144074e-01 1.74144074e-01] [4.96395333e-01 8.25855926e-01 3.25855926e-01] [8.25855926e-01 6.74144074e-01 5.03604667e-01] [9.96395333e-01 6.74144074e-01 6.74144074e-01] [8.25855926e-01 5.03604667e-01 6.74144074e-01] [4.24144074e-01 7.58559259e-02 2.46395333e-01] [4.24144074e-01 2.46395333e-01 7.58559259e-02] [2.53604667e-01 7.58559259e-02 7.58559259e-02] [9.24144074e-01 9.24144074e-01 2.53604667e-01] [7.53604667e-01 9.24144074e-01 4.24144074e-01] [9.24144074e-01 7.53604667e-01 4.24144074e-01] [3.25855926e-01 3.25855926e-01 9.96395333e-01] [3.25855926e-01 4.96395333e-01 8.25855926e-01] [4.96395333e-01 3.25855926e-01 8.25855926e-01]] cellpar = Cell([[36.840198288478476, -2.5297926561835936e-31, 2.5832823399354624e-31], [3.602453994749926e-31, 36.840198288478476, 8.584075206615417e-17], [-2.5668144724817766e-31, 8.584075206615424e-17, 36.840198288478476]]) 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] [ 5.75185958e-14 5.75185958e-14 4.85507729e-13] [-5.75185958e-14 -5.75185958e-14 4.85507729e-13] [-5.75185958e-14 5.75185958e-14 -4.85507729e-13] [ 5.75185958e-14 -5.75185958e-14 -4.85507729e-13] [ 4.85507729e-13 5.75185958e-14 5.75185958e-14] [ 4.85507729e-13 -5.75185958e-14 -5.75185958e-14] [-4.85507729e-13 -5.75185958e-14 5.75185958e-14] [-4.85507729e-13 5.75185958e-14 -5.75185958e-14] [ 5.75185958e-14 4.85507729e-13 5.75185958e-14] [-5.75185958e-14 4.85507729e-13 -5.75185958e-14] [ 5.75185958e-14 -4.85507729e-13 -5.75185958e-14] [-5.75185958e-14 -4.85507729e-13 5.75185958e-14] [ 5.75185958e-14 5.75185958e-14 -4.85507729e-13] [-5.75185958e-14 -5.75185958e-14 -4.85507729e-13] [ 5.75185958e-14 -5.75185958e-14 4.85507729e-13] [-5.75185958e-14 5.75185958e-14 4.85507729e-13] [ 5.75185958e-14 4.85507729e-13 -5.75185958e-14] [-5.75185958e-14 4.85507729e-13 5.75185958e-14] [-5.75185958e-14 -4.85507729e-13 -5.75185958e-14] [ 5.75185958e-14 -4.85507729e-13 5.75185958e-14] [ 4.85507729e-13 5.75185958e-14 -5.75185958e-14] [ 4.85507729e-13 -5.75185958e-14 5.75185958e-14] [-4.85507729e-13 5.75185958e-14 5.75185958e-14] [-4.85507729e-13 -5.75185958e-14 -5.75185958e-14] [ 5.75185958e-14 5.75185958e-14 -4.85507729e-13] [ 5.75185958e-14 -5.75185958e-14 4.85507729e-13] [-5.75185958e-14 5.75185958e-14 4.85507729e-13] [-4.85507729e-13 5.75185958e-14 5.75185958e-14] [ 4.85507729e-13 5.75185958e-14 -5.75185958e-14] [ 4.85507729e-13 -5.75185958e-14 5.75185958e-14] [ 5.75185958e-14 -4.85507729e-13 5.75185958e-14] [-5.75185958e-14 4.85507729e-13 5.75185958e-14] [ 5.75185958e-14 4.85507729e-13 -5.75185958e-14] [-5.75185958e-14 -5.75185958e-14 4.85507729e-13] [-5.75185958e-14 5.75185958e-14 -4.85507729e-13] [ 5.75185958e-14 -5.75185958e-14 -4.85507729e-13] [-5.75185958e-14 -4.85507729e-13 5.75185958e-14] [ 5.75185958e-14 -4.85507729e-13 -5.75185958e-14] [-5.75185958e-14 4.85507729e-13 -5.75185958e-14] [-4.85507729e-13 -5.75185958e-14 5.75185958e-14] [-4.85507729e-13 5.75185958e-14 -5.75185958e-14] [ 4.85507729e-13 -5.75185958e-14 -5.75185958e-14] [ 5.75185958e-14 5.75185958e-14 4.85507729e-13] [-5.75185958e-14 -5.75185958e-14 4.85507729e-13] [-5.75185958e-14 5.75185958e-14 -4.85507729e-13] [ 4.85507729e-13 5.75185958e-14 5.75185958e-14] [-4.85507729e-13 -5.75185958e-14 5.75185958e-14] [-4.85507729e-13 5.75185958e-14 -5.75185958e-14] [ 5.75185958e-14 4.85507729e-13 5.75185958e-14] [-5.75185958e-14 4.85507729e-13 -5.75185958e-14] [-5.75185958e-14 -4.85507729e-13 5.75185958e-14] [ 5.75185958e-14 5.75185958e-14 -4.85507729e-13] [-5.75185958e-14 -5.75185958e-14 -4.85507729e-13] [ 5.75185958e-14 -5.75185958e-14 4.85507729e-13] [ 5.75185958e-14 4.85507729e-13 -5.75185958e-14] [-5.75185958e-14 -4.85507729e-13 -5.75185958e-14] [ 5.75185958e-14 -4.85507729e-13 5.75185958e-14] [ 4.85507729e-13 5.75185958e-14 -5.75185958e-14] [ 4.85507729e-13 -5.75185958e-14 5.75185958e-14] [-4.85507729e-13 -5.75185958e-14 -5.75185958e-14] [ 5.75185958e-14 5.75185958e-14 -4.85507729e-13] [ 5.75185958e-14 -5.75185958e-14 4.85507729e-13] [ 4.85507729e-13 5.75185958e-14 -5.75185958e-14] [ 4.85507729e-13 -5.75185958e-14 5.75185958e-14] [ 5.75185958e-14 -4.85507729e-13 5.75185958e-14] [ 5.75185958e-14 4.85507729e-13 -5.75185958e-14] [-5.75185958e-14 -5.75185958e-14 4.85507729e-13] [-5.75185958e-14 5.75185958e-14 -4.85507729e-13] [-5.75185958e-14 -4.85507729e-13 5.75185958e-14] [-5.75185958e-14 4.85507729e-13 -5.75185958e-14] [-4.85507729e-13 -5.75185958e-14 5.75185958e-14] [-4.85507729e-13 5.75185958e-14 -5.75185958e-14] [ 5.75185958e-14 5.75185958e-14 4.85507729e-13] [ 5.75185958e-14 -5.75185958e-14 -4.85507729e-13] [ 4.85507729e-13 5.75185958e-14 5.75185958e-14] [ 4.85507729e-13 -5.75185958e-14 -5.75185958e-14] [ 5.75185958e-14 4.85507729e-13 5.75185958e-14] [ 5.75185958e-14 -4.85507729e-13 -5.75185958e-14] [-5.75185958e-14 -5.75185958e-14 -4.85507729e-13] [-5.75185958e-14 5.75185958e-14 4.85507729e-13] [-5.75185958e-14 4.85507729e-13 5.75185958e-14] [-5.75185958e-14 -4.85507729e-13 -5.75185958e-14] [-4.85507729e-13 5.75185958e-14 5.75185958e-14] [-4.85507729e-13 -5.75185958e-14 -5.75185958e-14] [-5.75185958e-14 5.75185958e-14 4.85507729e-13] [-4.85507729e-13 5.75185958e-14 5.75185958e-14] [-5.75185958e-14 4.85507729e-13 5.75185958e-14] [ 5.75185958e-14 -5.75185958e-14 -4.85507729e-13] [ 5.75185958e-14 -4.85507729e-13 -5.75185958e-14] [ 4.85507729e-13 -5.75185958e-14 -5.75185958e-14] [ 5.75185958e-14 5.75185958e-14 4.85507729e-13] [ 4.85507729e-13 5.75185958e-14 5.75185958e-14] [ 5.75185958e-14 4.85507729e-13 5.75185958e-14] [-5.75185958e-14 -5.75185958e-14 -4.85507729e-13] [-5.75185958e-14 -4.85507729e-13 -5.75185958e-14] [-4.85507729e-13 -5.75185958e-14 -5.75185958e-14]] stress = [-1.60546868e-15 -1.60546868e-15 -1.60546868e-15 8.79064969e-33 1.93747122e-34 -9.47017108e-52] energy per atom = -2.546982232963594e-16 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0