element(s): ['O', 'Si'] AFLOW prototype label: A2B_hR72_148_8f_4f Parameter names: ['a', 'c/a', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11', 'x12', 'y12', 'z12'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['13.794229', '1.434787', '0.85893138', '0.22979394', '0.11991875', '0.75467824', '0.29022042', '0.40040932', '0.73596048', '0.94768126', '0.89719171', '0.75960952', '0.041023857', '0.33359589', '0.84471815', '0.51843482', '0.43865797', '0.70571111', '0.44872596', '0.061254388', '0.98092357', '0.34918425', '0.28372019', '0.61326156', '0.24118526', '0.21965969', '0.99737508', '0.23783748', '0.17967101', '0.67143124', '0.18054872', '0.35784479', '0.88150258', '0.36337612', '0.41793163', '0.71060037', '0.28965427', '0.090649953'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0.45605002 0.28296261 0.40288136] [0.27290891 0.08136001 0.48176933] [0.87568266 0.96308611 0.86027782] [0.3815331 0.04448053 0.37807642] [0.2441145 0.16194568 0.60060365] [0.30048062 0.3439761 0.40523049] [0.4429809 0.25422248 0.53794267] [0.25522606 0.13837581 0.3580355 ] [0.52574722 0.29195685 0.47162786] [0.26815632 0.04543013 0.40327492] [0.32723247 0.13633848 0.55427011] [0.34696551 0.27298491 0.36363486]] spacegroup = 148 cell = [[13.7942, 0, 0], [-6.8971, 11.946127624883, 0], [0, 0, 19.7918]] ========================================= Step Time Energy fmax BFGS: 0 13:21:21 -1076.105462 24.1183 BFGS: 1 13:21:22 -1197.755569 21.1502 BFGS: 2 13:21:22 -1291.583478 15.7645 BFGS: 3 13:21:23 -1352.821774 15.4225 BFGS: 4 13:21:23 -1409.301849 11.2708 BFGS: 5 13:21:24 -1445.168136 7.6626 BFGS: 6 13:21:25 -1470.227246 5.9273 BFGS: 7 13:21:25 -1488.476327 3.9669 BFGS: 8 13:21:26 -1497.343143 3.2197 BFGS: 9 13:21:27 -1501.149580 3.6001 BFGS: 10 13:21:27 -1503.307313 3.9056 BFGS: 11 13:21:28 -1505.401624 4.1274 BFGS: 12 13:21:29 -1507.569073 4.2896 BFGS: 13 13:21:29 -1509.822966 4.4380 BFGS: 14 13:21:30 -1512.117411 4.5815 BFGS: 15 13:21:31 -1514.426844 4.7240 BFGS: 16 13:21:31 -1516.742980 4.8653 BFGS: 17 13:21:32 -1519.055979 5.0130 BFGS: 18 13:21:33 -1521.357890 5.1589 BFGS: 19 13:21:34 -1523.642545 5.3025 BFGS: 20 13:21:35 -1525.903155 5.4428 BFGS: 21 13:21:35 -1528.135123 5.5772 BFGS: 22 13:21:36 -1530.332631 5.7029 BFGS: 23 13:21:37 -1532.490792 5.8293 BFGS: 24 13:21:37 -1534.615429 5.9420 BFGS: 25 13:21:38 -1536.700281 6.0502 BFGS: 26 13:21:38 -1538.756124 6.1518 BFGS: 27 13:21:39 -1540.780646 6.2469 BFGS: 28 13:21:39 -1542.783990 6.3365 BFGS: 29 13:21:40 -1544.770142 6.4219 BFGS: 30 13:21:40 -1546.746426 6.5018 BFGS: 31 13:21:41 -1548.717294 6.5777 BFGS: 32 13:21:42 -1550.689403 6.6498 BFGS: 33 13:21:43 -1552.667113 6.7205 BFGS: 34 13:21:43 -1554.651882 6.7911 BFGS: 35 13:21:44 -1556.642526 6.8589 BFGS: 36 13:21:44 -1558.637245 6.9255 BFGS: 37 13:21:45 -1560.636306 6.9915 BFGS: 38 13:21:45 -1562.637831 7.0559 BFGS: 39 13:21:46 -1564.641579 7.1179 BFGS: 40 13:21:47 -1566.647052 7.1792 BFGS: 41 13:21:47 -1568.654855 7.2390 BFGS: 42 13:21:48 -1570.663235 7.2983 BFGS: 43 13:21:49 -1572.671049 7.3565 BFGS: 44 13:21:50 -1574.672950 7.4133 BFGS: 45 13:21:50 -1576.671808 7.4692 BFGS: 46 13:21:51 -1578.669182 7.5240 BFGS: 47 13:21:51 -1580.664693 7.5772 BFGS: 48 13:21:52 -1582.661699 7.6310 BFGS: 49 13:21:53 -1584.660735 7.6836 BFGS: 50 13:21:54 -1586.662460 7.7361 BFGS: 51 13:21:54 -1588.661895 7.7850 BFGS: 52 13:21:55 -1590.659477 7.8298 BFGS: 53 13:21:56 -1592.656357 7.8741 BFGS: 54 13:21:56 -1594.647635 7.9157 BFGS: 55 13:21:57 -1596.634149 7.9538 BFGS: 56 13:21:57 -1598.611125 7.9888 BFGS: 57 13:21:58 -1600.577616 8.0203 BFGS: 58 13:21:58 -1602.537718 8.0485 BFGS: 59 13:21:59 -1604.498328 8.2279 BFGS: 60 13:21:59 -1606.519734 8.5958 BFGS: 61 13:22:00 -1608.678052 8.7823 BFGS: 62 13:22:00 -1611.203031 9.4137 BFGS: 63 13:22:01 -1613.587748 10.4879 BFGS: 64 13:22:01 -1617.084771 10.8633 BFGS: 65 13:22:02 -1621.191247 11.1413 BFGS: 66 13:22:03 -1626.868158 11.2428 BFGS: 67 13:22:03 -1634.118149 11.4687 BFGS: 68 13:22:04 -1643.891922 11.7051 BFGS: 69 13:22:05 -1657.809321 11.9408 BFGS: 70 13:22:05 -1672.696879 12.0472 BFGS: 71 13:22:06 -1677.508557 12.4699 BFGS: 72 13:22:06 -1680.048701 12.7111 BFGS: 73 13:22:07 -1682.667311 12.8325 BFGS: 74 13:22:08 -1685.225082 12.9503 BFGS: 75 13:22:09 -1687.301416 13.1146 BFGS: 76 13:22:09 -1689.214039 13.0799 BFGS: 77 13:22:10 -1691.025773 13.0971 BFGS: 78 13:22:10 -1692.840060 13.1091 BFGS: 79 13:22:11 -1694.731511 13.1018 BFGS: 80 13:22:12 -1696.787199 13.0757 BFGS: 81 13:22:12 -1699.093281 13.0386 BFGS: 82 13:22:13 -1701.761577 12.9851 BFGS: 83 13:22:14 -1704.967586 12.9251 BFGS: 84 13:22:15 -1708.996524 12.8473 BFGS: 85 13:22:15 -1714.346975 12.7630 BFGS: 86 13:22:16 -1721.763967 12.6517 BFGS: 87 13:22:17 -1732.552337 12.5340 BFGS: 88 13:22:17 -1749.221528 12.4346 BFGS: 89 13:22:18 -1761.011531 12.2203 BFGS: 90 13:22:19 -1769.486146 17.8370 BFGS: 91 13:22:19 -1793.051063 12.7975 BFGS: 92 13:22:20 -1814.305439 11.9427 BFGS: 93 13:22:21 -1826.104977 11.4067 BFGS: 94 13:22:21 -1835.481183 11.2534 BFGS: 95 13:22:22 -1843.668845 11.1347 BFGS: 96 13:22:23 -1851.022876 11.0129 BFGS: 97 13:22:24 -1857.797296 10.8377 BFGS: 98 13:22:25 -1864.388287 10.6702 BFGS: 99 13:22:25 -1870.907145 10.4579 BFGS: 100 13:22:26 -1877.475837 10.2484 BFGS: 101 13:22:27 -1884.033637 9.9865 BFGS: 102 13:22:27 -1890.599387 9.7066 BFGS: 103 13:22:28 -1897.105624 9.8857 BFGS: 104 13:22:29 -1903.576427 11.4267 BFGS: 105 13:22:30 -1909.951134 13.0222 BFGS: 106 13:22:30 -1916.256748 14.6769 BFGS: 107 13:22:31 -1922.418435 16.3526 BFGS: 108 13:22:32 -1928.537682 18.0832 BFGS: 109 13:22:33 -1934.498483 19.7969 BFGS: 110 13:22:33 -1940.456312 21.5691 BFGS: 111 13:22:34 -1946.264894 23.2829 BFGS: 112 13:22:35 -1952.076944 25.0443 BFGS: 113 13:22:36 -1957.788687 26.7240 BFGS: 114 13:22:36 -1963.505713 28.4338 BFGS: 115 13:22:37 -1969.169538 30.0449 BFGS: 116 13:22:37 -1974.846455 31.6748 BFGS: 117 13:22:38 -1980.509241 33.2060 BFGS: 118 13:22:38 -1986.191036 34.7523 BFGS: 119 13:22:39 -1991.881305 36.2229 BFGS: 120 13:22:40 -1997.599249 37.7117 BFGS: 121 13:22:40 -2003.331863 39.1804 BFGS: 122 13:22:41 -2009.068280 40.6676 BFGS: 123 13:22:42 -2014.812283 42.1129 BFGS: 124 13:22:42 -2020.570060 43.5485 BFGS: 125 13:22:42 -2026.336981 44.9320 BFGS: 126 13:22:43 -2032.125061 46.3097 BFGS: 127 13:22:43 -2037.937071 47.6422 BFGS: 128 13:22:44 -2043.785695 48.9731 BFGS: 129 13:22:44 -2049.662518 50.2746 BFGS: 130 13:22:45 -2055.565314 51.5863 BFGS: 131 13:22:45 -2061.484605 52.8725 BFGS: 132 13:22:46 -2067.431836 54.1612 BFGS: 133 13:22:47 -2073.369391 55.4124 BFGS: 134 13:22:47 -2079.323224 56.6616 BFGS: 135 13:22:48 -2085.192782 57.8724 BFGS: 136 13:22:48 -2091.097723 59.0167 BFGS: 137 13:22:49 -2096.741651 60.2740 BFGS: 138 13:22:50 -2102.369232 61.2242 BFGS: 139 13:22:50 -2107.703298 62.4663 BFGS: 140 13:22:51 -2112.959762 63.3774 BFGS: 141 13:22:51 -2118.161909 64.5027 BFGS: 142 13:22:52 -2123.371581 65.3890 BFGS: 143 13:22:53 -2128.597613 66.2865 BFGS: 144 13:22:53 -2133.808455 66.9062 BFGS: 145 13:22:54 -2139.009881 67.4146 BFGS: 146 13:22:55 -2144.195340 67.6867 BFGS: 147 13:22:55 -2149.390767 67.8251 BFGS: 148 13:22:56 -2154.590387 67.8007 BFGS: 149 13:22:57 -2159.807356 67.6278 BFGS: 150 13:22:57 -2165.032427 67.3037 BFGS: 151 13:22:58 -2170.266685 66.8065 BFGS: 152 13:22:59 -2175.501686 66.1575 BFGS: 153 13:23:00 -2180.734021 65.3059 BFGS: 154 13:23:00 -2185.966406 64.3283 BFGS: 155 13:23:01 -2191.175350 63.1095 BFGS: 156 13:23:01 -2196.395664 61.8291 BFGS: 157 13:23:02 -2201.565646 60.2714 BFGS: 158 13:23:03 -2206.741865 58.6552 BFGS: 159 13:23:03 -2211.850135 57.5731 BFGS: 160 13:23:04 -2216.935013 58.0138 BFGS: 161 13:23:05 -2221.943795 58.1880 BFGS: 162 13:23:05 -2226.928611 58.3657 BFGS: 163 13:23:06 -2231.842142 58.3014 BFGS: 164 13:23:06 -2236.744761 58.2381 BFGS: 165 13:23:07 -2241.603575 57.9467 BFGS: 166 13:23:08 -2246.469051 57.6430 BFGS: 167 13:23:08 -2251.327337 57.1681 BFGS: 168 13:23:09 -2256.191633 56.6223 BFGS: 169 13:23:10 -2261.066828 55.9328 BFGS: 170 13:23:10 -2265.952651 55.1833 BFGS: 171 13:23:11 -2270.857583 54.2715 BFGS: 172 13:23:12 -2275.772874 53.3499 BFGS: 173 13:23:12 -2280.716645 52.2557 BFGS: 174 13:23:13 -2285.676313 51.1492 BFGS: 175 13:23:14 -2290.652554 49.9148 BFGS: 176 13:23:14 -2295.634369 48.6619 BFGS: 177 13:23:15 -2300.629640 47.3241 BFGS: 178 13:23:16 -2305.634341 45.9611 BFGS: 179 13:23:17 -2310.646686 44.5430 BFGS: 180 13:23:17 -2315.664581 43.1015 BFGS: 181 13:23:18 -2320.688583 41.6219 BFGS: 182 13:23:18 -2325.713617 40.1239 BFGS: 183 13:23:19 -2330.742794 38.5979 BFGS: 184 13:23:19 -2335.771537 37.0768 BFGS: 185 13:23:19 -2340.806670 35.6996 BFGS: 186 13:23:20 -2345.843639 37.0200 BFGS: 187 13:23:21 -2350.844264 38.3694 BFGS: 188 13:23:22 -2355.955444 39.7370 BFGS: 189 13:23:22 -2361.455770 41.5656 BFGS: 190 13:23:23 -2366.990655 43.2148 BFGS: 191 13:23:23 -2372.586168 45.1459 BFGS: 192 13:23:24 -2378.179544 46.5915 BFGS: 193 13:23:25 -2383.919008 48.3586 BFGS: 194 13:23:25 -2389.808521 49.7052 BFGS: 195 13:23:26 -2395.670158 51.2381 BFGS: 196 13:23:27 -2401.518210 52.2917 BFGS: 197 13:23:27 -2407.351087 53.4333 BFGS: 198 13:23:28 -2413.244032 54.2593 BFGS: 199 13:23:29 -2419.169948 55.0522 BFGS: 200 13:23:29 -2425.144266 55.6138 BFGS: 201 13:23:30 -2431.159460 56.0786 BFGS: 202 13:23:31 -2437.230796 56.3162 BFGS: 203 13:23:31 -2443.345896 56.4373 BFGS: 204 13:23:32 -2449.354717 56.3281 BFGS: 205 13:23:32 -2455.222871 56.1115 BFGS: 206 13:23:33 -2460.978553 55.7117 BFGS: 207 13:23:34 -2466.647503 55.2142 BFGS: 208 13:23:34 -2472.252082 54.5829 BFGS: 209 13:23:35 -2477.811001 53.8774 BFGS: 210 13:23:35 -2483.318158 53.0895 BFGS: 211 13:23:36 -2488.763520 52.2511 BFGS: 212 13:23:37 -2494.124212 51.3721 BFGS: 213 13:23:37 -2499.378470 50.4788 BFGS: 214 13:23:38 -2504.529799 49.5756 BFGS: 215 13:23:38 -2509.596793 48.6395 BFGS: 216 13:23:39 -2514.604062 47.6783 BFGS: 217 13:23:40 -2519.562266 46.6473 BFGS: 218 13:23:40 -2524.476217 45.5850 BFGS: 219 13:23:41 -2529.346005 44.4417 BFGS: 220 13:23:41 -2534.153597 43.2790 BFGS: 221 13:23:42 -2538.910824 42.0276 BFGS: 222 13:23:42 -2543.570175 40.8036 BFGS: 223 13:23:43 -2548.174963 39.4503 BFGS: 224 13:23:43 -2552.661270 38.1815 BFGS: 225 13:23:44 -2557.080110 36.8152 BFGS: 226 13:23:44 -2561.416823 35.5062 BFGS: 227 13:23:45 -2565.697686 34.1848 BFGS: 228 13:23:45 -2569.934780 32.9099 BFGS: 229 13:23:46 -2574.157793 31.6593 BFGS: 230 13:23:47 -2578.374648 31.1620 BFGS: 231 13:23:47 -2582.635083 30.5670 BFGS: 232 13:23:48 -2586.916554 30.1622 BFGS: 233 13:23:49 -2591.291845 29.6354 BFGS: 234 13:23:49 -2595.717278 29.3050 BFGS: 235 13:23:50 -2600.278584 28.8797 BFGS: 236 13:23:50 -2604.932297 28.6458 BFGS: 237 13:23:51 -2609.772298 28.3489 BFGS: 238 13:23:52 -2614.749216 28.2132 BFGS: 239 13:23:53 -2619.904990 27.9984 BFGS: 240 13:23:54 -2625.175096 27.8842 BFGS: 241 13:23:54 -2630.617902 27.7204 BFGS: 242 13:23:55 -2636.090893 27.6449 BFGS: 243 13:23:56 -2641.602997 27.5653 BFGS: 244 13:23:56 -2647.130527 27.5661 BFGS: 245 13:23:57 -2652.691826 27.5918 BFGS: 246 13:23:57 -2658.286567 27.6722 BFGS: 247 13:23:58 -2663.910840 27.7827 BFGS: 248 13:23:59 -2669.563461 27.9464 BFGS: 249 13:23:59 -2675.256715 28.1083 BFGS: 250 13:24:00 -2680.978510 28.2913 BFGS: 251 13:24:00 -2686.733091 28.4500 BFGS: 252 13:24:01 -2692.525521 28.5815 BFGS: 253 13:24:01 -2698.354383 28.6649 BFGS: 254 13:24:02 -2704.226323 28.6862 BFGS: 255 13:24:02 -2710.138570 28.6613 BFGS: 256 13:24:03 -2716.095164 28.5846 BFGS: 257 13:24:04 -2722.081912 28.4861 BFGS: 258 13:24:04 -2728.089874 28.3784 BFGS: 259 13:24:05 -2734.101957 28.2842 BFGS: 260 13:24:05 -2740.100696 28.2150 BFGS: 261 13:24:06 -2746.080030 28.1847 BFGS: 262 13:24:06 -2752.051855 28.1603 BFGS: 263 13:24:07 -2758.040765 28.0881 BFGS: 264 13:24:08 -2764.059630 27.9686 BFGS: 265 13:24:08 -2770.114737 27.7852 BFGS: 266 13:24:09 -2776.202373 27.5552 BFGS: 267 13:24:09 -2782.309303 27.7467 BFGS: 268 13:24:10 -2788.407046 28.0227 BFGS: 269 13:24:10 -2794.458790 28.2661 BFGS: 270 13:24:11 -2800.453355 28.5145 BFGS: 271 13:24:11 -2806.242763 28.7364 BFGS: 272 13:24:12 -2811.748332 28.9830 BFGS: 273 13:24:12 -2817.056220 29.1239 BFGS: 274 13:24:13 -2821.874747 29.4606 BFGS: 275 13:24:14 -2827.242321 29.0227 BFGS: 276 13:24:14 -2831.243760 29.7513 BFGS: 277 13:24:15 -2835.805108 29.8613 BFGS: 278 13:24:15 -2840.841790 29.8493 BFGS: 279 13:24:16 -2846.427638 29.6131 BFGS: 280 13:24:16 -2852.551295 29.2937 BFGS: 281 13:24:17 -2859.299345 28.6699 BFGS: 282 13:24:17 -2866.791741 27.9224 BFGS: 283 13:24:18 -2874.012929 26.7130 BFGS: 284 13:24:18 -2880.819374 25.5849 BFGS: 285 13:24:19 -2886.872339 23.8737 BFGS: 286 13:24:19 -2892.534553 22.6541 BFGS: 287 13:24:19 -2897.387869 20.8700 BFGS: 288 13:24:20 -2902.123720 20.0214 BFGS: 289 13:24:20 -2906.286161 18.8838 BFGS: 290 13:24:20 -2910.419660 18.4453 BFGS: 291 13:24:21 -2914.151174 17.9432 BFGS: 292 13:24:21 -2917.538296 17.7604 BFGS: 293 13:24:22 -2920.877053 17.7264 BFGS: 294 13:24:22 -2924.113742 17.7490 BFGS: 295 13:24:23 -2927.332910 17.7664 BFGS: 296 13:24:23 -2930.469515 17.7749 BFGS: 297 13:24:24 -2933.563224 17.7789 BFGS: 298 13:24:24 -2936.567716 17.7768 BFGS: 299 13:24:25 -2939.510933 17.7705 BFGS: 300 13:24:25 -2942.379317 17.7599 BFGS: 301 13:24:26 -2945.191886 17.7455 BFGS: 302 13:24:27 -2947.984637 17.7262 BFGS: 303 13:24:27 -2950.737891 17.7036 BFGS: 304 13:24:28 -2953.438549 17.6788 BFGS: 305 13:24:28 -2956.097043 17.6618 BFGS: 306 13:24:29 -2958.717917 17.6350 BFGS: 307 13:24:30 -2961.295486 17.6084 BFGS: 308 13:24:30 -2963.837436 17.5868 BFGS: 309 13:24:31 -2966.351314 17.8238 BFGS: 310 13:24:31 -2968.845939 18.0479 BFGS: 311 13:24:32 -2971.333325 18.2661 BFGS: 312 13:24:32 -2973.818995 18.4745 BFGS: 313 13:24:33 -2976.311480 18.6734 BFGS: 314 13:24:33 -2978.820361 18.8687 BFGS: 315 13:24:34 -2981.354558 19.0499 BFGS: 316 13:24:35 -2983.929174 19.2255 BFGS: 317 13:24:35 -2986.553686 19.3872 BFGS: 318 13:24:36 -2989.264071 19.5468 BFGS: 319 13:24:36 -2992.056776 19.6985 BFGS: 320 13:24:37 -2994.949384 19.8424 BFGS: 321 13:24:38 -2997.966462 19.9774 BFGS: 322 13:24:38 -3001.140270 20.1042 BFGS: 323 13:24:39 -3004.514892 20.2218 BFGS: 324 13:24:39 -3008.133164 20.3284 BFGS: 325 13:24:40 -3012.048157 20.4239 BFGS: 326 13:24:41 -3016.330220 20.5066 BFGS: 327 13:24:41 -3021.066655 20.5744 BFGS: 328 13:24:42 -3026.368853 20.6257 BFGS: 329 13:24:42 -3032.383974 20.6555 BFGS: 330 13:24:43 -3039.307098 20.6652 BFGS: 331 13:24:43 -3047.404476 20.6477 BFGS: 332 13:24:44 -3057.112228 20.5916 BFGS: 333 13:24:44 -3069.135452 20.4947 BFGS: 334 13:24:45 -3084.567198 20.3462 BFGS: 335 13:24:46 -3099.412752 20.1965 BFGS: 336 13:24:46 -3111.778883 20.5705 BFGS: 337 13:24:47 -3120.530473 20.8009 BFGS: 338 13:24:47 -3127.309874 21.0666 BFGS: 339 13:24:48 -3133.002723 21.2701 BFGS: 340 13:24:48 -3138.026882 21.4429 BFGS: 341 13:24:49 -3142.627775 21.6126 BFGS: 342 13:24:49 -3146.883508 21.7424 BFGS: 343 13:24:50 -3150.908495 21.8875 BFGS: 344 13:24:50 -3154.717453 21.9950 BFGS: 345 13:24:51 -3158.377230 22.1279 BFGS: 346 13:24:51 -3161.873199 22.2221 BFGS: 347 13:24:52 -3165.257758 22.3436 BFGS: 348 13:24:52 -3168.510594 22.4295 BFGS: 349 13:24:53 -3171.674356 22.5396 BFGS: 350 13:24:53 -3174.732241 22.6632 BFGS: 351 13:24:54 -3177.718763 22.8743 BFGS: 352 13:24:54 -3180.632530 23.0568 BFGS: 353 13:24:55 -3183.492900 23.2436 BFGS: 354 13:24:55 -3186.301342 23.4085 BFGS: 355 13:24:56 -3189.085322 23.5754 BFGS: 356 13:24:56 -3191.855063 23.7238 BFGS: 357 13:24:57 -3194.648397 23.8721 BFGS: 358 13:24:57 -3197.484632 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14.7689 BFGS: 1788 13:37:32 -4521.497736 14.2269 BFGS: 1789 13:37:32 -4523.846227 13.8754 BFGS: 1790 13:37:33 -4526.385959 13.3673 BFGS: 1791 13:37:33 -4528.572312 12.9347 BFGS: 1792 13:37:34 -4530.962497 12.5057 BFGS: 1793 13:37:34 -4533.049759 12.0109 BFGS: 1794 13:37:35 -4535.217639 11.6156 BFGS: 1795 13:37:36 -4537.209679 11.1063 BFGS: 1796 13:37:36 -4539.159116 10.7100 BFGS: 1797 13:37:37 -4541.059126 10.2092 BFGS: 1798 13:37:37 -4542.819034 9.8131 BFGS: 1799 13:37:38 -4544.617710 9.3176 BFGS: 1800 13:37:38 -4546.219013 8.9440 BFGS: 1801 13:37:39 -4547.934205 8.4440 BFGS: 1802 13:37:39 -4549.430441 8.0959 BFGS: 1803 13:37:40 -4551.019672 7.6428 BFGS: 1804 13:37:40 -4552.485025 7.3077 BFGS: 1805 13:37:41 -4553.978856 6.9436 BFGS: 1806 13:37:41 -4555.461644 6.6466 BFGS: 1807 13:37:41 -4556.929772 6.4040 BFGS: 1808 13:37:42 -4558.482195 6.1839 BFGS: 1809 13:37:42 -4560.013943 6.0946 BFGS: 1810 13:37:42 -4561.683642 5.9807 BFGS: 1811 13:37:43 -4563.344654 6.0539 BFGS: 1812 13:37:43 -4565.151803 6.0535 BFGS: 1813 13:37:43 -4566.991590 6.2178 BFGS: 1814 13:37:44 -4568.910328 6.2833 BFGS: 1815 13:37:44 -4570.885861 6.7192 BFGS: 1816 13:37:45 -4572.865209 7.2228 BFGS: 1817 13:37:45 -4574.880043 7.6850 BFGS: 1818 13:37:45 -4576.793768 8.1481 BFGS: 1819 13:37:46 -4578.763255 8.9092 BFGS: 1820 13:37:46 -4580.690402 10.3798 BFGS: 1821 13:37:47 -4582.986839 11.6303 BFGS: 1822 13:37:47 -4585.856896 11.5157 BFGS: 1823 13:37:47 -4587.509601 11.6892 BFGS: 1824 13:37:48 -4588.887384 11.8066 BFGS: 1825 13:37:48 -4590.122051 11.8506 BFGS: 1826 13:37:49 -4591.263103 11.8497 BFGS: 1827 13:37:49 -4592.321475 11.8357 BFGS: 1828 13:37:50 -4593.326002 11.7747 BFGS: 1829 13:37:50 -4594.260614 11.7083 BFGS: 1830 13:37:51 -4595.137135 11.5994 BFGS: 1831 13:37:51 -4595.950352 11.4776 BFGS: 1832 13:37:51 -4596.697263 11.3187 BFGS: 1833 13:37:52 -4597.374391 11.1413 BFGS: 1834 13:37:52 -4597.978007 10.9349 BFGS: 1835 13:37:53 -4598.506338 10.6947 BFGS: 1836 13:37:53 -4598.951039 10.4435 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BFGS: 1862 13:38:05 -4602.378733 7.2063 BFGS: 1863 13:38:05 -4603.213196 7.4372 BFGS: 1864 13:38:05 -4603.941186 7.4754 BFGS: 1865 13:38:06 -4604.699850 7.3996 BFGS: 1866 13:38:06 -4605.478024 7.2632 BFGS: 1867 13:38:07 -4606.273703 7.0793 BFGS: 1868 13:38:07 -4607.087025 6.8518 BFGS: 1869 13:38:08 -4607.904402 6.5905 BFGS: 1870 13:38:08 -4608.718268 6.2924 BFGS: 1871 13:38:09 -4609.517127 5.9581 BFGS: 1872 13:38:09 -4610.288871 5.5891 BFGS: 1873 13:38:09 -4611.021601 5.1760 BFGS: 1874 13:38:10 -4611.700247 4.8973 BFGS: 1875 13:38:10 -4612.303487 4.7095 BFGS: 1876 13:38:11 -4612.818080 4.4828 BFGS: 1877 13:38:11 -4613.204109 4.2176 BFGS: 1878 13:38:12 -4613.401782 3.8889 BFGS: 1879 13:38:12 -4613.413644 3.7964 BFGS: 1880 13:38:12 -4613.419500 3.7642 BFGS: 1881 13:38:13 -4613.423779 3.7210 BFGS: 1882 13:38:13 -4613.425941 3.7222 BFGS: 1883 13:38:13 -4613.427659 3.6877 BFGS: 1884 13:38:13 -4613.428268 3.7004 BFGS: 1885 13:38:14 -4613.431156 3.7059 BFGS: 1886 13:38:14 -4613.435582 3.7032 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BFGS: 1987 13:38:59 -4622.548966 2.6249 BFGS: 1988 13:39:00 -4622.617396 2.6583 BFGS: 1989 13:39:00 -4622.686144 2.6910 BFGS: 1990 13:39:01 -4622.755615 2.7238 BFGS: 1991 13:39:01 -4622.825322 2.7560 BFGS: 1992 13:39:02 -4622.895215 2.7875 BFGS: 1993 13:39:02 -4622.965521 2.8185 BFGS: 1994 13:39:03 -4623.035863 2.8482 BFGS: 1995 13:39:03 -4623.106612 2.8786 BFGS: 1996 13:39:04 -4623.177685 2.9081 BFGS: 1997 13:39:04 -4623.248764 2.9361 BFGS: 1998 13:39:04 -4623.320284 2.9654 BFGS: 1999 13:39:05 -4623.392346 2.9940 BFGS: 2000 13:39:05 -4623.465818 3.0224 BFGS: 2001 13:39:06 -4623.539318 3.0503 BFGS: 2002 13:39:06 -4623.612960 3.0780 BFGS: 2003 13:39:07 -4623.686787 3.1055 BFGS: 2004 13:39:07 -4623.760868 3.1328 BFGS: 2005 13:39:08 -4623.835106 3.1596 BFGS: 2006 13:39:08 -4623.909746 3.1855 BFGS: 2007 13:39:09 -4623.984565 3.2120 BFGS: 2008 13:39:09 -4624.059588 3.2385 BFGS: 2009 13:39:09 -4624.134788 3.2649 BFGS: 2010 13:39:10 -4624.210160 3.2912 BFGS: 2011 13:39:11 -4624.285892 3.3174 BFGS: 2012 13:39:11 -4624.362066 3.3430 BFGS: 2013 13:39:12 -4624.438317 3.3690 BFGS: 2014 13:39:12 -4624.514735 3.3948 BFGS: 2015 13:39:12 -4624.591300 3.4204 BFGS: 2016 13:39:13 -4624.668026 3.4459 BFGS: 2017 13:39:13 -4624.744803 3.4713 BFGS: 2018 13:39:14 -4624.821777 3.4964 BFGS: 2019 13:39:14 -4624.898940 3.5228 BFGS: 2020 13:39:15 -4624.976820 3.5468 BFGS: 2021 13:39:15 -4625.054836 3.5718 BFGS: 2022 13:39:16 -4625.132948 3.5965 BFGS: 2023 13:39:16 -4625.211196 3.6213 BFGS: 2024 13:39:16 -4625.289774 3.6460 BFGS: 2025 13:39:16 -4625.368706 3.6708 BFGS: 2026 13:39:17 -4625.447744 3.6946 BFGS: 2027 13:39:17 -4625.518521 3.6868 BFGS: 2028 13:39:17 -4625.600455 3.7151 BFGS: 2029 13:39:17 -4625.681049 3.7341 BFGS: 2030 13:39:18 -4625.761822 3.7550 BFGS: 2031 13:39:18 -4625.842703 3.7766 BFGS: 2032 13:39:18 -4625.923791 3.8000 BFGS: 2033 13:39:19 -4626.004986 3.8224 BFGS: 2034 13:39:19 -4626.086542 3.8452 BFGS: 2035 13:39:19 -4626.168250 3.8682 BFGS: 2036 13:39:20 -4626.250216 3.8912 BFGS: 2037 13:39:21 -4626.332367 3.9143 BFGS: 2038 13:39:21 -4626.414738 3.9373 BFGS: 2039 13:39:22 -4626.497304 3.9603 BFGS: 2040 13:39:22 -4626.580075 3.9831 BFGS: 2041 13:39:23 -4626.663232 4.0059 BFGS: 2042 13:39:23 -4626.746940 4.0281 BFGS: 2043 13:39:24 -4626.831109 4.0511 BFGS: 2044 13:39:24 -4626.915638 4.0736 BFGS: 2045 13:39:25 -4627.000831 4.0940 BFGS: 2046 13:39:25 -4627.085853 4.1171 BFGS: 2047 13:39:25 -4627.171281 4.1402 BFGS: 2048 13:39:26 -4627.256923 4.1626 BFGS: 2049 13:39:26 -4627.342789 4.1849 BFGS: 2050 13:39:27 -4627.428858 4.2071 BFGS: 2051 13:39:27 -4627.515144 4.2293 BFGS: 2052 13:39:28 -4627.601633 4.2513 BFGS: 2053 13:39:28 -4627.688329 4.2732 BFGS: 2054 13:39:29 -4627.775227 4.2950 BFGS: 2055 13:39:29 -4627.862326 4.3168 BFGS: 2056 13:39:30 -4627.950232 4.3384 BFGS: 2057 13:39:30 -4628.039865 4.3585 BFGS: 2058 13:39:31 -4628.129256 4.3771 BFGS: 2059 13:39:31 -4628.218658 4.3986 BFGS: 2060 13:39:32 -4628.308342 4.4193 BFGS: 2061 13:39:32 -4628.398265 4.4385 BFGS: 2062 13:39:33 -4628.488516 4.4610 BFGS: 2063 13:39:33 -4628.578993 4.4818 BFGS: 2064 13:39:34 -4628.669654 4.5029 BFGS: 2065 13:39:34 -4628.760480 4.5233 BFGS: 2066 13:39:35 -4628.851489 4.5444 BFGS: 2067 13:39:35 -4628.943415 4.5650 BFGS: 2068 13:39:36 -4629.035867 4.5856 BFGS: 2069 13:39:36 -4629.128617 4.6064 BFGS: 2070 13:39:37 -4629.221307 4.6273 BFGS: 2071 13:39:37 -4629.314668 4.6481 BFGS: 2072 13:39:38 -4629.408118 4.6694 BFGS: 2073 13:39:38 -4629.501903 4.6899 BFGS: 2074 13:39:39 -4629.595953 4.7108 BFGS: 2075 13:39:39 -4629.691676 4.7315 BFGS: 2076 13:39:39 -4629.786544 4.7523 BFGS: 2077 13:39:40 -4629.882056 4.7707 BFGS: 2078 13:39:40 -4629.977491 4.7926 BFGS: 2079 13:39:41 -4630.073149 4.8138 BFGS: 2080 13:39:41 -4630.168943 4.8349 BFGS: 2081 13:39:41 -4630.264920 4.8559 BFGS: 2082 13:39:42 -4630.361115 4.8768 BFGS: 2083 13:39:42 -4630.458131 4.8961 BFGS: 2084 13:39:42 -4630.556062 4.9172 BFGS: 2085 13:39:42 -4630.653696 4.9379 BFGS: 2086 13:39:43 -4630.751651 4.9585 BFGS: 2087 13:39:43 -4630.849641 4.9795 BFGS: 2088 13:39:44 -4630.947887 5.0003 BFGS: 2089 13:39:44 -4631.046253 5.0212 BFGS: 2090 13:39:45 -4631.144840 5.0419 BFGS: 2091 13:39:45 -4631.243583 5.0628 BFGS: 2092 13:39:46 -4631.342745 5.0835 BFGS: 2093 13:39:46 -4631.442919 5.1044 BFGS: 2094 13:39:47 -4631.542561 5.1258 BFGS: 2095 13:39:47 -4631.642673 5.1465 BFGS: 2096 13:39:48 -4631.742771 5.1679 BFGS: 2097 13:39:48 -4631.843138 5.1886 BFGS: 2098 13:39:49 -4631.943614 5.2096 BFGS: 2099 13:39:50 -4632.044314 5.2304 BFGS: 2100 13:39:50 -4632.145165 5.2513 BFGS: 2101 13:39:51 -4632.246222 5.2721 BFGS: 2102 13:39:51 -4632.347625 5.2930 BFGS: 2103 13:39:51 -4632.449705 5.3100 BFGS: 2104 13:39:52 -4632.552094 5.3336 BFGS: 2105 13:39:52 -4632.654740 5.3536 BFGS: 2106 13:39:53 -4632.757685 5.3757 BFGS: 2107 13:39:53 -4632.861448 5.3959 BFGS: 2108 13:39:54 -4632.965164 5.4169 BFGS: 2109 13:39:54 -4633.069254 5.4375 BFGS: 2110 13:39:55 -4633.173346 5.4581 BFGS: 2111 13:39:55 -4633.277660 5.4787 BFGS: 2112 13:39:56 -4633.382187 5.5016 BFGS: 2113 13:39:56 -4633.486931 5.5219 BFGS: 2114 13:39:57 -4633.590602 5.5477 BFGS: 2115 13:39:57 -4633.698238 5.5637 BFGS: 2116 13:39:58 -4633.805171 5.5814 BFGS: 2117 13:39:59 -4633.912502 5.5996 BFGS: 2118 13:39:59 -4634.020337 5.6172 BFGS: 2119 13:40:00 -4634.128605 5.6359 BFGS: 2120 13:40:00 -4634.237210 5.6547 BFGS: 2121 13:40:01 -4634.345784 5.6735 BFGS: 2122 13:40:01 -4634.454896 5.6924 BFGS: 2123 13:40:02 -4634.564203 5.7114 BFGS: 2124 13:40:03 -4634.674739 5.7290 BFGS: 2125 13:40:03 -4634.785442 5.7486 BFGS: 2126 13:40:04 -4634.896338 5.7670 BFGS: 2127 13:40:04 -4635.007741 5.7860 BFGS: 2128 13:40:04 -4635.119290 5.8030 BFGS: 2129 13:40:05 -4635.231630 5.8227 BFGS: 2130 13:40:06 -4635.345055 5.8408 BFGS: 2131 13:40:06 -4635.458415 5.8572 BFGS: 2132 13:40:07 -4635.572371 5.8753 BFGS: 2133 13:40:07 -4635.686778 5.8945 BFGS: 2134 13:40:08 -4635.801473 5.9123 BFGS: 2135 13:40:08 -4635.916692 5.9318 BFGS: 2136 13:40:09 -4636.031766 5.9505 BFGS: 2137 13:40:09 -4636.147054 5.9697 BFGS: 2138 13:40:10 -4636.262447 5.9887 BFGS: 2139 13:40:10 -4636.378284 6.0073 BFGS: 2140 13:40:11 -4636.494285 6.0268 BFGS: 2141 13:40:11 -4636.610459 6.0459 BFGS: 2142 13:40:12 -4636.726754 6.0652 BFGS: 2143 13:40:12 -4636.843369 6.0835 BFGS: 2144 13:40:13 -4636.959946 6.1030 BFGS: 2145 13:40:14 -4637.076763 6.1227 BFGS: 2146 13:40:14 -4637.193802 6.1422 BFGS: 2147 13:40:15 -4637.311251 6.1621 BFGS: 2148 13:40:15 -4637.428742 6.1813 BFGS: 2149 13:40:16 -4637.546527 6.2010 BFGS: 2150 13:40:17 -4637.664432 6.2205 BFGS: 2151 13:40:17 -4637.782712 6.2372 BFGS: 2152 13:40:18 -4637.901257 6.2578 BFGS: 2153 13:40:18 -4638.020610 6.2774 BFGS: 2154 13:40:19 -4638.139930 6.2973 BFGS: 2155 13:40:19 -4638.259603 6.3169 BFGS: 2156 13:40:20 -4638.379362 6.3357 BFGS: 2157 13:40:20 -4638.499226 6.3549 BFGS: 2158 13:40:21 -4638.619193 6.3739 BFGS: 2159 13:40:21 -4638.739259 6.3931 BFGS: 2160 13:40:22 -4638.859478 6.4126 BFGS: 2161 13:40:22 -4638.980980 6.4319 BFGS: 2162 13:40:23 -4639.103020 6.4488 BFGS: 2163 13:40:23 -4639.225133 6.4736 BFGS: 2164 13:40:24 -4639.346980 6.4894 BFGS: 2165 13:40:24 -4639.469039 6.5102 BFGS: 2166 13:40:25 -4639.591178 6.5291 BFGS: 2167 13:40:25 -4639.713368 6.5501 BFGS: 2168 13:40:26 -4639.835810 6.5702 BFGS: 2169 13:40:26 -4639.958314 6.5904 BFGS: 2170 13:40:27 -4640.081248 6.6108 BFGS: 2171 13:40:27 -4640.204208 6.6315 BFGS: 2172 13:40:28 -4640.327517 6.6526 BFGS: 2173 13:40:28 -4640.450992 6.6749 BFGS: 2174 13:40:29 -4640.574795 6.6960 BFGS: 2175 13:40:29 -4640.698533 6.7162 BFGS: 2176 13:40:30 -4640.822525 6.7365 BFGS: 2177 13:40:30 -4640.946646 6.7572 BFGS: 2178 13:40:31 -4641.070999 6.7778 BFGS: 2179 13:40:31 -4641.195574 6.7986 BFGS: 2180 13:40:32 -4641.320797 6.8201 BFGS: 2181 13:40:32 -4641.445779 6.8418 BFGS: 2182 13:40:33 -4641.571871 6.8662 BFGS: 2183 13:40:33 -4641.697942 6.8876 BFGS: 2184 13:40:34 -4641.826656 6.9069 BFGS: 2185 13:40:35 -4641.954767 6.9294 BFGS: 2186 13:40:35 -4642.084002 6.9508 BFGS: 2187 13:40:35 -4642.213955 6.9725 BFGS: 2188 13:40:36 -4642.344148 6.9938 BFGS: 2189 13:40:36 -4642.474714 7.0155 BFGS: 2190 13:40:36 -4642.605563 7.0363 BFGS: 2191 13:40:37 -4642.737320 7.0584 BFGS: 2192 13:40:37 -4642.869110 7.0772 BFGS: 2193 13:40:38 -4643.001837 7.1008 BFGS: 2194 13:40:38 -4643.134408 7.1236 BFGS: 2195 13:40:39 -4643.267275 7.1448 BFGS: 2196 13:40:39 -4643.401834 7.1656 BFGS: 2197 13:40:39 -4643.536133 7.1878 BFGS: 2198 13:40:40 -4643.671143 7.2094 BFGS: 2199 13:40:40 -4643.806252 7.2313 BFGS: 2200 13:40:40 -4643.941876 7.2530 BFGS: 2201 13:40:40 -4644.077724 7.2747 BFGS: 2202 13:40:41 -4644.214508 7.2964 BFGS: 2203 13:40:41 -4644.353013 7.3172 BFGS: 2204 13:40:42 -4644.493175 7.3393 BFGS: 2205 13:40:42 -4644.632866 7.3611 BFGS: 2206 13:40:43 -4644.773692 7.3828 BFGS: 2207 13:40:43 -4644.914066 7.4038 BFGS: 2208 13:40:44 -4645.055700 7.4252 BFGS: 2209 13:40:44 -4645.197252 7.4469 BFGS: 2210 13:40:44 -4645.339786 7.4687 BFGS: 2211 13:40:45 -4645.482236 7.4920 BFGS: 2212 13:40:45 -4645.624974 7.5126 BFGS: 2213 13:40:46 -4645.768107 7.5338 BFGS: 2214 13:40:46 -4645.911409 7.5546 BFGS: 2215 13:40:47 -4646.054981 7.5762 BFGS: 2216 13:40:48 -4646.198888 7.5975 BFGS: 2217 13:40:48 -4646.343047 7.6191 BFGS: 2218 13:40:49 -4646.487603 7.6406 BFGS: 2219 13:40:50 -4646.632046 7.6621 BFGS: 2220 13:40:50 -4646.776828 7.6838 BFGS: 2221 13:40:51 -4646.922125 7.7061 BFGS: 2222 13:40:51 -4647.067658 7.7279 BFGS: 2223 13:40:52 -4647.213288 7.7496 BFGS: 2224 13:40:52 -4647.359383 7.7716 BFGS: 2225 13:40:53 -4647.505384 7.7935 BFGS: 2226 13:40:53 -4647.651508 7.8150 BFGS: 2227 13:40:53 -4647.797410 7.8372 BFGS: 2228 13:40:54 -4647.943698 7.8595 BFGS: 2229 13:40:54 -4648.090224 7.8825 BFGS: 2230 13:40:55 -4648.236511 7.9051 BFGS: 2231 13:40:55 -4648.382965 7.9278 BFGS: 2232 13:40:56 -4648.529333 7.9506 BFGS: 2233 13:40:57 -4648.675756 7.9734 BFGS: 2234 13:40:57 -4648.821718 7.9944 BFGS: 2235 13:40:58 -4648.967594 8.0176 BFGS: 2236 13:40:58 -4649.113595 8.0403 BFGS: 2237 13:40:59 -4649.259665 8.0634 BFGS: 2238 13:40:59 -4649.405832 8.0867 BFGS: 2239 13:41:00 -4649.551749 8.1093 BFGS: 2240 13:41:00 -4649.697705 8.1326 BFGS: 2241 13:41:01 -4649.843703 8.1562 BFGS: 2242 13:41:01 -4649.989681 8.1798 BFGS: 2243 13:41:02 -4650.135632 8.2036 BFGS: 2244 13:41:02 -4650.281551 8.2275 BFGS: 2245 13:41:03 -4650.427425 8.2516 BFGS: 2246 13:41:03 -4650.573407 8.2756 BFGS: 2247 13:41:04 -4650.719598 8.3006 BFGS: 2248 13:41:05 -4650.865732 8.3253 BFGS: 2249 13:41:05 -4651.011820 8.3494 BFGS: 2250 13:41:06 -4651.158522 8.3747 BFGS: 2251 13:41:06 -4651.304631 8.3995 BFGS: 2252 13:41:07 -4651.450824 8.4243 BFGS: 2253 13:41:08 -4651.596932 8.4492 BFGS: 2254 13:41:08 -4651.742988 8.4742 BFGS: 2255 13:41:09 -4651.889002 8.4993 BFGS: 2256 13:41:09 -4652.035216 8.5221 BFGS: 2257 13:41:10 -4652.182820 8.5483 BFGS: 2258 13:41:10 -4652.330103 8.5732 BFGS: 2259 13:41:11 -4652.477258 8.5985 BFGS: 2260 13:41:11 -4652.624082 8.6233 BFGS: 2261 13:41:12 -4652.770914 8.6487 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3963 13:52:28 -6354.325200 6.5920 BFGS: 3964 13:52:28 -6354.369785 6.5405 BFGS: 3965 13:52:29 -6354.413893 6.4865 BFGS: 3966 13:52:29 -6354.457231 6.4327 BFGS: 3967 13:52:29 -6354.499435 6.3795 BFGS: 3968 13:52:30 -6354.541277 6.3247 BFGS: 3969 13:52:30 -6354.582254 6.2726 BFGS: 3970 13:52:30 -6354.622401 6.2197 BFGS: 3971 13:52:30 -6354.662921 6.1658 BFGS: 3972 13:52:31 -6354.702782 6.1121 BFGS: 3973 13:52:31 -6354.743065 6.0577 BFGS: 3974 13:52:31 -6354.783892 6.0031 BFGS: 3975 13:52:32 -6354.825413 5.9474 BFGS: 3976 13:52:32 -6354.867992 5.8930 BFGS: 3977 13:52:32 -6354.911119 5.8381 BFGS: 3978 13:52:33 -6354.956125 5.7843 BFGS: 3979 13:52:33 -6355.001603 5.7275 BFGS: 3980 13:52:33 -6355.050281 5.6768 BFGS: 3981 13:52:33 -6355.099539 5.6186 BFGS: 3982 13:52:34 -6355.152338 5.5709 BFGS: 3983 13:52:34 -6355.205222 5.5131 BFGS: 3984 13:52:34 -6355.261389 5.4676 BFGS: 3985 13:52:35 -6355.318759 5.4143 BFGS: 3986 13:52:35 -6355.378565 5.3688 BFGS: 3987 13:52:35 -6355.440227 5.3168 BFGS: 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4013 13:52:44 -6357.277397 5.4084 BFGS: 4014 13:52:45 -6357.282921 5.3707 BFGS: 4015 13:52:45 -6357.285634 5.3348 BFGS: 4016 13:52:46 -6357.287075 5.2907 BFGS: 4017 13:52:46 -6357.288404 5.2336 BFGS: 4018 13:52:46 -6357.289098 5.2026 BFGS: 4019 13:52:47 -6357.289589 5.1879 BFGS: 4020 13:52:47 -6357.289820 5.1915 BFGS: 4021 13:52:47 -6357.289992 5.1970 BFGS: 4022 13:52:48 -6357.290069 5.2012 BFGS: 4023 13:52:48 -6357.290171 5.2018 BFGS: 4024 13:52:48 -6357.290199 5.1994 BFGS: 4025 13:52:49 -6357.290231 5.1924 BFGS: 4026 13:52:49 -6357.290244 5.1897 BFGS: 4027 13:52:49 -6357.290251 5.1885 BFGS: 4028 13:52:49 -6357.290254 5.1889 BFGS: 4029 13:52:50 -6357.290257 5.1901 BFGS: 4030 13:52:50 -6357.290257 5.1908 BFGS: 4031 13:52:50 -6357.290258 5.1917 BFGS: 4032 13:52:51 -6357.290258 5.1919 BFGS: 4033 13:52:51 -6357.290259 5.1918 BFGS: 4034 13:52:51 -6357.290259 5.1916 BFGS: 4035 13:52:51 -6357.290259 5.1915 BFGS: 4036 13:52:52 -6357.290259 5.1915 BFGS: 4037 13:52:52 -6357.290259 5.1915 BFGS: 4038 13:52:52 -6357.290259 5.1916 BFGS: 4039 13:52:53 -6357.290259 5.1916 BFGS: 4040 13:52:53 -6357.290259 5.1916 BFGS: 4041 13:52:53 -6357.290259 5.1917 BFGS: 4042 13:52:54 -6357.290259 5.1917 BFGS: 4043 13:52:54 -6357.290259 5.1918 BFGS: 4044 13:52:54 -6357.290259 5.1919 BFGS: 4045 13:52:55 -6357.290259 5.1920 BFGS: 4046 13:52:55 -6357.290259 5.1921 BFGS: 4047 13:52:55 -6357.290260 5.1922 BFGS: 4048 13:52:55 -6357.290262 5.1924 BFGS: 4049 13:52:56 -6357.290268 5.1927 BFGS: 4050 13:52:56 -6357.290283 5.1932 BFGS: 4051 13:52:56 -6357.290322 5.1938 BFGS: 4052 13:52:57 -6357.290422 5.1947 BFGS: 4053 13:52:57 -6357.290680 5.1961 BFGS: 4054 13:52:58 -6357.291341 5.1982 BFGS: 4055 13:52:58 -6357.293031 5.2012 BFGS: 4056 13:52:58 -6357.297339 5.2055 BFGS: 4057 13:52:59 -6357.308286 5.2115 BFGS: 4058 13:52:59 -6357.336016 5.2193 BFGS: 4059 13:52:59 -6357.406172 5.2280 BFGS: 4060 13:53:00 -6357.582710 5.2375 BFGS: 4061 13:53:00 -6357.867039 5.2345 BFGS: 4062 13:53:00 -6358.230946 5.2257 BFGS: 4063 13:53:01 -6358.732848 5.2087 BFGS: 4064 13:53:01 -6359.357474 5.1846 BFGS: 4065 13:53:01 -6360.088383 5.2048 BFGS: 4066 13:53:02 -6360.907663 5.3960 BFGS: 4067 13:53:02 -6361.772715 5.5616 BFGS: 4068 13:53:02 -6362.645025 5.7055 BFGS: 4069 13:53:02 -6363.585817 5.8399 BFGS: 4070 13:53:03 -6364.532323 5.9585 BFGS: 4071 13:53:03 -6365.437202 6.0613 BFGS: 4072 13:53:03 -6366.347428 6.1584 BFGS: 4073 13:53:04 -6367.281993 6.2506 BFGS: 4074 13:53:04 -6368.223061 6.3366 BFGS: 4075 13:53:04 -6369.162634 6.4179 BFGS: 4076 13:53:05 -6370.129597 6.4985 BFGS: 4077 13:53:05 -6371.146558 6.5763 BFGS: 4078 13:53:05 -6372.167235 6.6556 BFGS: 4079 13:53:06 -6373.313412 6.7336 BFGS: 4080 13:53:06 -6374.689856 6.8088 BFGS: 4081 13:53:06 -6376.240537 6.8718 BFGS: 4082 13:53:07 -6378.224793 6.9059 BFGS: 4083 13:53:07 -6380.852134 6.8713 BFGS: 4084 13:53:08 -6382.514758 6.7756 BFGS: 4085 13:53:08 -6383.579231 6.6661 BFGS: 4086 13:53:08 -6384.432191 6.5484 BFGS: 4087 13:53:09 -6385.200533 6.4180 BFGS: 4088 13:53:09 -6385.869826 6.2848 BFGS: 4089 13:53:09 -6386.502907 6.1363 BFGS: 4090 13:53:10 -6387.024162 5.9907 BFGS: 4091 13:53:10 -6387.510943 6.0749 BFGS: 4092 13:53:10 -6387.894058 6.1971 BFGS: 4093 13:53:11 -6388.232885 6.3629 BFGS: 4094 13:53:11 -6388.432709 6.4760 BFGS: 4095 13:53:11 -6388.562381 6.7170 BFGS: 4096 13:53:12 -6388.575462 6.5950 BFGS: 4097 13:53:12 -6388.598251 6.6277 BFGS: 4098 13:53:12 -6388.631203 6.7256 BFGS: 4099 13:53:13 -6388.639832 6.6658 BFGS: 4100 13:53:13 -6388.643658 6.7512 BFGS: 4101 13:53:14 -6388.645909 6.7003 BFGS: 4102 13:53:14 -6388.647099 6.6871 BFGS: 4103 13:53:14 -6388.647617 6.6639 BFGS: 4104 13:53:15 -6388.647834 6.6486 BFGS: 4105 13:53:15 -6388.647927 6.6397 BFGS: 4106 13:53:16 -6388.647961 6.6103 BFGS: 4107 13:53:16 -6388.648015 6.6218 BFGS: 4108 13:53:16 -6388.648024 6.6223 BFGS: 4109 13:53:17 -6388.648048 6.6234 BFGS: 4110 13:53:17 -6388.648080 6.6218 BFGS: 4111 13:53:17 -6388.648179 6.6213 BFGS: 4112 13:53:18 -6388.648415 6.6179 BFGS: 4113 13:53:18 -6388.649022 6.6163 BFGS: 4114 13:53:18 -6388.650530 6.6117 BFGS: 4115 13:53:19 -6388.654349 6.6109 BFGS: 4116 13:53:19 -6388.664018 6.6087 BFGS: 4117 13:53:19 -6388.688712 6.6169 BFGS: 4118 13:53:20 -6388.752277 6.6337 BFGS: 4119 13:53:20 -6388.918376 6.6904 BFGS: 4120 13:53:20 -6389.200460 6.7599 BFGS: 4121 13:53:21 -6389.528039 6.8233 BFGS: 4122 13:53:21 -6389.892770 6.8773 BFGS: 4123 13:53:21 -6390.290871 6.9239 BFGS: 4124 13:53:22 -6390.715321 6.9629 BFGS: 4125 13:53:22 -6391.165085 6.9973 BFGS: 4126 13:53:22 -6391.627813 7.0293 BFGS: 4127 13:53:23 -6392.111004 7.0563 BFGS: 4128 13:53:23 -6392.607264 7.0808 BFGS: 4129 13:53:24 -6393.108688 7.1044 BFGS: 4130 13:53:24 -6393.626967 7.1249 BFGS: 4131 13:53:24 -6394.155937 7.1432 BFGS: 4132 13:53:25 -6394.694834 7.1597 BFGS: 4133 13:53:25 -6395.241217 7.1792 BFGS: 4134 13:53:26 -6395.797269 7.1889 BFGS: 4135 13:53:26 -6396.361277 7.2011 BFGS: 4136 13:53:26 -6396.935640 7.2089 BFGS: 4137 13:53:27 -6397.516887 7.2148 BFGS: 4138 13:53:27 -6398.106453 7.2177 BFGS: 4139 13:53:27 -6398.703795 7.2173 BFGS: 4140 13:53:28 -6399.310590 7.2131 BFGS: 4141 13:53:28 -6399.909536 7.2106 BFGS: 4142 13:53:28 -6400.540489 7.1973 BFGS: 4143 13:53:29 -6401.164377 7.1825 BFGS: 4144 13:53:29 -6401.814772 7.1585 BFGS: 4145 13:53:30 -6402.452035 7.1339 BFGS: 4146 13:53:30 -6403.124073 7.0975 BFGS: 4147 13:53:30 -6403.770541 7.0622 BFGS: 4148 13:53:31 -6404.458228 7.0150 BFGS: 4149 13:53:31 -6405.114300 6.9665 BFGS: 4150 13:53:31 -6405.811976 6.9071 BFGS: 4151 13:53:32 -6406.477626 6.8472 BFGS: 4152 13:53:32 -6407.197457 6.7744 BFGS: 4153 13:53:32 -6407.871032 6.7030 BFGS: 4154 13:53:33 -6408.596879 6.6186 BFGS: 4155 13:53:33 -6409.277741 6.5335 BFGS: 4156 13:53:33 -6410.004489 6.4442 BFGS: 4157 13:53:34 -6410.690613 6.3438 BFGS: 4158 13:53:34 -6411.395494 6.2566 BFGS: 4159 13:53:34 -6412.088064 6.1452 BFGS: 4160 13:53:34 -6412.770803 6.0543 BFGS: 4161 13:53:35 -6413.471649 5.9313 BFGS: 4162 13:53:35 -6414.143674 5.8297 BFGS: 4163 13:53:36 -6414.833994 5.7022 BFGS: 4164 13:53:36 -6415.487689 5.6016 BFGS: 4165 13:53:36 -6416.159511 5.4657 BFGS: 4166 13:53:37 -6416.805207 5.3593 BFGS: 4167 13:53:37 -6417.455610 5.2227 BFGS: 4168 13:53:37 -6418.099632 5.1031 BFGS: 4169 13:53:38 -6418.703412 4.9750 BFGS: 4170 13:53:38 -6419.331752 4.8488 BFGS: 4171 13:53:38 -6419.909589 4.7197 BFGS: 4172 13:53:39 -6420.538734 4.5787 BFGS: 4173 13:53:39 -6421.081099 4.4531 BFGS: 4174 13:53:39 -6421.691135 4.3050 BFGS: 4175 13:53:39 -6422.210514 4.2089 BFGS: 4176 13:53:40 -6422.774985 4.0889 BFGS: 4177 13:53:40 -6423.271837 3.9991 BFGS: 4178 13:53:41 -6423.796434 3.8735 BFGS: 4179 13:53:41 -6424.268690 3.7773 BFGS: 4180 13:53:41 -6424.755575 3.6528 BFGS: 4181 13:53:42 -6425.196827 3.5486 BFGS: 4182 13:53:42 -6425.647406 3.4170 BFGS: 4183 13:53:43 -6426.060795 3.3052 BFGS: 4184 13:53:43 -6426.480224 3.1650 BFGS: 4185 13:53:44 -6426.862287 3.0474 BFGS: 4186 13:53:44 -6427.243235 2.9001 BFGS: 4187 13:53:45 -6427.583352 2.7808 BFGS: 4188 13:53:45 -6427.925510 2.6267 BFGS: 4189 13:53:46 -6428.235883 2.4970 BFGS: 4190 13:53:46 -6428.535664 2.3414 BFGS: 4191 13:53:46 -6428.811836 2.1983 BFGS: 4192 13:53:47 -6429.068392 2.0444 BFGS: 4193 13:53:47 -6429.308506 1.8849 BFGS: 4194 13:53:47 -6429.518908 1.7292 BFGS: 4195 13:53:48 -6429.715880 1.5572 BFGS: 4196 13:53:48 -6429.883310 1.3973 BFGS: 4197 13:53:49 -6430.038106 1.2061 BFGS: 4198 13:53:49 -6430.159404 1.0443 BFGS: 4199 13:53:49 -6430.265644 0.8350 BFGS: 4200 13:53:50 -6430.339977 0.6623 BFGS: 4201 13:53:50 -6430.393139 0.4416 BFGS: 4202 13:53:50 -6430.416656 0.3569 BFGS: 4203 13:53:51 -6430.422924 0.3129 BFGS: 4204 13:53:51 -6430.437984 0.2199 BFGS: 4205 13:53:51 -6430.451209 0.0847 BFGS: 4206 13:53:52 -6430.453251 0.0488 BFGS: 4207 13:53:52 -6430.453554 0.0104 BFGS: 4208 13:53:52 -6430.453565 0.0058 BFGS: 4209 13:53:53 -6430.453570 0.0018 BFGS: 4210 13:53:53 -6430.453572 0.0016 BFGS: 4211 13:53:54 -6430.453573 0.0010 BFGS: 4212 13:53:54 -6430.453573 0.0008 BFGS: 4213 13:53:54 -6430.453573 0.0003 BFGS: 4214 13:53:55 -6430.453573 0.0002 BFGS: 4215 13:53:55 -6430.453573 0.0001 BFGS: 4216 13:53:55 -6430.453573 0.0000 BFGS: 4217 13:53:56 -6430.453573 0.0000 BFGS: 4218 13:53:56 -6430.453573 0.0000 BFGS: 4219 13:53:56 -6430.453573 0.0000 BFGS: 4220 13:53:57 -6430.453573 0.0000 BFGS: 4221 13:53:57 -6430.453573 0.0000 BFGS: 4222 13:53:57 -6430.453573 0.0000 BFGS: 4223 13:53:58 -6430.453573 0.0000 BFGS: 4224 13:53:58 -6430.453573 0.0000 BFGS: 4225 13:53:58 -6430.453573 0.0000 BFGS: 4226 13:53:59 -6430.453573 0.0000 BFGS: 4227 13:53:59 -6430.453573 0.0000 BFGS: 4228 13:53:59 -6430.453573 0.0000 BFGS: 4229 13:54:00 -6430.453573 0.0000 BFGS: 4230 13:54:00 -6430.453573 0.0000 BFGS: 4231 13:54:00 -6430.453573 0.0000 BFGS: 4232 13:54:01 -6430.453573 0.0000 Minimization converged after 4232 steps. Maximum force component: 1.0467983907719729e-08 eV/Angstrom Maximum stress component: 2.2036912452567276e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', '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 = [[5.12754478e-01 5.50105115e-01 4.09665661e-01] [4.49894885e-01 9.62649363e-01 4.09665661e-01] [3.73506367e-02 4.87245522e-01 4.09665661e-01] [1.79421145e-01 8.83438448e-01 7.42998994e-01] [1.16561552e-01 2.95982697e-01 7.42998994e-01] [7.04017303e-01 8.20578855e-01 7.42998994e-01] [8.46087812e-01 2.16771782e-01 7.63323274e-02] [7.83228218e-01 6.29316030e-01 7.63323274e-02] [3.70683970e-01 1.53912188e-01 7.63323274e-02] [4.87245522e-01 4.49894885e-01 5.90334339e-01] [5.50105115e-01 3.73506367e-02 5.90334339e-01] [9.62649363e-01 5.12754478e-01 5.90334339e-01] [1.53912188e-01 7.83228218e-01 9.23667673e-01] [2.16771782e-01 3.70683970e-01 9.23667673e-01] [6.29316030e-01 8.46087812e-01 9.23667673e-01] [8.20578855e-01 1.16561552e-01 2.57001006e-01] [8.83438448e-01 7.04017303e-01 2.57001006e-01] [2.95982697e-01 1.79421145e-01 2.57001006e-01] [5.72477667e-01 4.95510314e-01 4.97062389e-01] [5.04489686e-01 7.69673529e-02 4.97062389e-01] [9.23032647e-01 4.27522333e-01 4.97062389e-01] [2.39144333e-01 8.28843647e-01 8.30395722e-01] [1.71156353e-01 4.10300686e-01 8.30395722e-01] [5.89699314e-01 7.60855667e-01 8.30395722e-01] [9.05811000e-01 1.62176980e-01 1.63729055e-01] [8.37823020e-01 7.43634020e-01 1.63729055e-01] [2.56365980e-01 9.41890002e-02 1.63729055e-01] [4.27522333e-01 5.04489686e-01 5.02937611e-01] [4.95510314e-01 9.23032647e-01 5.02937611e-01] [7.69673529e-02 5.72477667e-01 5.02937611e-01] [9.41890002e-02 8.37823020e-01 8.36270945e-01] [1.62176980e-01 2.56365980e-01 8.36270945e-01] [7.43634020e-01 9.05811000e-01 8.36270945e-01] [7.60855667e-01 1.71156353e-01 1.69604278e-01] [8.28843647e-01 5.89699314e-01 1.69604278e-01] [4.10300686e-01 2.39144333e-01 1.69604278e-01] [7.90366785e-01 1.23049283e-01 9.84995376e-01] [8.76950717e-01 6.67317502e-01 9.84995376e-01] [3.32682498e-01 2.09633215e-01 9.84995376e-01] [4.57033451e-01 4.56382616e-01 3.18328709e-01] [5.43617384e-01 6.50834973e-04 3.18328709e-01] [9.99349165e-01 5.42966549e-01 3.18328709e-01] [1.23700118e-01 7.89715950e-01 6.51662043e-01] [2.10284050e-01 3.33984168e-01 6.51662043e-01] [6.66015832e-01 8.76299882e-01 6.51662043e-01] [2.09633215e-01 8.76950717e-01 1.50046241e-02] [1.23049283e-01 3.32682498e-01 1.50046241e-02] [6.67317502e-01 7.90366785e-01 1.50046241e-02] [8.76299882e-01 2.10284050e-01 3.48337957e-01] [7.89715950e-01 6.66015832e-01 3.48337957e-01] [3.33984168e-01 1.23700118e-01 3.48337957e-01] [5.42966549e-01 5.43617384e-01 6.81671291e-01] [4.56382616e-01 9.99349165e-01 6.81671291e-01] [6.50834973e-04 4.57033451e-01 6.81671291e-01] [2.84663722e-01 2.74317444e-02 2.56460497e-01] [9.72568256e-01 2.57231978e-01 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-7.24643026e-10 -3.95532981e-10] [ 9.00527115e-11 1.29331018e-09 -3.95532981e-10] [ 1.16506583e-09 5.68667155e-10 3.95532981e-10] [-1.07501312e-09 7.24643026e-10 3.95532981e-10] [-9.00527115e-11 -1.29331018e-09 3.95532981e-10] [ 1.16506583e-09 5.68667155e-10 3.95532981e-10] [-1.07501312e-09 7.24643026e-10 3.95532981e-10] [-9.00527115e-11 -1.29331018e-09 3.95532981e-10] [ 1.16506583e-09 5.68667155e-10 3.95532981e-10] [-1.07501312e-09 7.24643026e-10 3.95532981e-10] [-9.00527115e-11 -1.29331018e-09 3.95532981e-10] [-1.65898005e-09 -1.92698821e-09 -9.72122611e-10] [ 2.49831077e-09 -4.73224759e-10 -9.72122611e-10] [-8.39330722e-10 2.40021297e-09 -9.72122611e-10] [-1.65898005e-09 -1.92698821e-09 -9.72122611e-10] [ 2.49831077e-09 -4.73224759e-10 -9.72122611e-10] [-8.39330722e-10 2.40021297e-09 -9.72122611e-10] [-1.65898005e-09 -1.92698821e-09 -9.72122611e-10] [ 2.49831077e-09 -4.73224759e-10 -9.72122611e-10] [-8.39330722e-10 2.40021297e-09 -9.72122611e-10] [ 1.65898005e-09 1.92698821e-09 9.72122611e-10] [-2.49831077e-09 4.73224759e-10 9.72122611e-10] [ 8.39330722e-10 -2.40021297e-09 9.72122611e-10] [ 1.65898005e-09 1.92698821e-09 9.72122611e-10] [-2.49831077e-09 4.73224759e-10 9.72122611e-10] [ 8.39330722e-10 -2.40021297e-09 9.72122611e-10] [ 1.65898005e-09 1.92698821e-09 9.72122611e-10] [-2.49831077e-09 4.73224759e-10 9.72122611e-10] [ 8.39330722e-10 -2.40021297e-09 9.72122611e-10] [-2.66695636e-10 -1.25861252e-09 1.27742001e-09] [ 1.22333824e-09 3.98341065e-10 1.27742001e-09] [-9.56642600e-10 8.60271457e-10 1.27742001e-09] [-2.66695636e-10 -1.25861252e-09 1.27742001e-09] [ 1.22333824e-09 3.98341065e-10 1.27742001e-09] [-9.56642600e-10 8.60271457e-10 1.27742001e-09] [-2.66695636e-10 -1.25861252e-09 1.27742001e-09] [ 1.22333824e-09 3.98341065e-10 1.27742001e-09] [-9.56642600e-10 8.60271457e-10 1.27742001e-09] [ 2.66695636e-10 1.25861252e-09 -1.27742001e-09] [-1.22333824e-09 -3.98341065e-10 -1.27742001e-09] [ 9.56642600e-10 -8.60271457e-10 -1.27742001e-09] [ 2.66695636e-10 1.25861252e-09 -1.27742001e-09] [-1.22333824e-09 -3.98341065e-10 -1.27742001e-09] [ 9.56642600e-10 -8.60271457e-10 -1.27742001e-09] [ 2.66695636e-10 1.25861252e-09 -1.27742001e-09] [-1.22333824e-09 -3.98341065e-10 -1.27742001e-09] [ 9.56642600e-10 -8.60271457e-10 -1.27742001e-09] [ 3.92768181e-09 8.50745075e-10 1.66328357e-09] [-2.70060775e-09 2.97609969e-09 1.66328357e-09] [-1.22707406e-09 -3.82684477e-09 1.66328357e-09] [ 3.92768181e-09 8.50745075e-10 1.66328357e-09] [-2.70060775e-09 2.97609969e-09 1.66328357e-09] [-1.22707406e-09 -3.82684477e-09 1.66328357e-09] [ 3.92768181e-09 8.50745075e-10 1.66328357e-09] [-2.70060775e-09 2.97609969e-09 1.66328357e-09] [-1.22707406e-09 -3.82684477e-09 1.66328357e-09] [-3.92768181e-09 -8.50745075e-10 -1.66328357e-09] [ 2.70060775e-09 -2.97609969e-09 -1.66328357e-09] [ 1.22707406e-09 3.82684477e-09 -1.66328357e-09] [-3.92768181e-09 -8.50745075e-10 -1.66328357e-09] [ 2.70060775e-09 -2.97609969e-09 -1.66328357e-09] [ 1.22707406e-09 3.82684477e-09 -1.66328357e-09] [-3.92768181e-09 -8.50745075e-10 -1.66328357e-09] [ 2.70060775e-09 -2.97609969e-09 -1.66328357e-09] [ 1.22707406e-09 3.82684477e-09 -1.66328357e-09] [ 1.27071220e-09 2.43684423e-10 -1.87599773e-09] [-8.46393001e-10 9.78626834e-10 -1.87599773e-09] [-4.24319199e-10 -1.22231126e-09 -1.87599773e-09] [ 1.27071220e-09 2.43684423e-10 -1.87599773e-09] [-8.46393001e-10 9.78626834e-10 -1.87599773e-09] [-4.24319199e-10 -1.22231126e-09 -1.87599773e-09] [ 1.27071220e-09 2.43684423e-10 -1.87599773e-09] [-8.46393001e-10 9.78626834e-10 -1.87599773e-09] [-4.24319199e-10 -1.22231126e-09 -1.87599773e-09] [-1.27071220e-09 -2.43684423e-10 1.87599773e-09] [ 8.46393001e-10 -9.78626834e-10 1.87599773e-09] [ 4.24319199e-10 1.22231126e-09 1.87599773e-09] [-1.27071220e-09 -2.43684423e-10 1.87599773e-09] [ 8.46393001e-10 -9.78626834e-10 1.87599773e-09] [ 4.24319199e-10 1.22231126e-09 1.87599773e-09] [-1.27071220e-09 -2.43684423e-10 1.87599773e-09] [ 8.46393001e-10 -9.78626834e-10 1.87599773e-09] [ 4.24319199e-10 1.22231126e-09 1.87599773e-09] [ 2.02019766e-09 -1.31505943e-09 5.29818991e-10] [ 1.28776048e-10 2.40707221e-09 5.29818991e-10] [-2.14897370e-09 -1.09201277e-09 5.29818991e-10] [ 2.02019766e-09 -1.31505943e-09 5.29818991e-10] [ 1.28776048e-10 2.40707221e-09 5.29818991e-10] [-2.14897370e-09 -1.09201277e-09 5.29818991e-10] [ 2.02019766e-09 -1.31505943e-09 5.29818991e-10] [ 1.28776048e-10 2.40707221e-09 5.29818991e-10] [-2.14897370e-09 -1.09201277e-09 5.29818991e-10] [-2.02019766e-09 1.31505943e-09 -5.29818991e-10] [-1.28776048e-10 -2.40707221e-09 -5.29818991e-10] [ 2.14897370e-09 1.09201277e-09 -5.29818991e-10] [-2.02019766e-09 1.31505943e-09 -5.29818991e-10] [-1.28776048e-10 -2.40707221e-09 -5.29818991e-10] [ 2.14897370e-09 1.09201277e-09 -5.29818991e-10] [-2.02019766e-09 1.31505943e-09 -5.29818991e-10] [-1.28776048e-10 -2.40707221e-09 -5.29818991e-10] [ 2.14897370e-09 1.09201277e-09 -5.29818991e-10] [ 1.33856930e-09 -3.22089873e-10 -2.07971703e-09] [-3.90346638e-10 1.32027996e-09 -2.07971703e-09] [-9.48222663e-10 -9.98190082e-10 -2.07971703e-09] [ 1.33856930e-09 -3.22089873e-10 -2.07971703e-09] [-3.90346638e-10 1.32027996e-09 -2.07971703e-09] [-9.48222663e-10 -9.98190082e-10 -2.07971703e-09] [ 1.33856930e-09 -3.22089873e-10 -2.07971703e-09] [-3.90346638e-10 1.32027996e-09 -2.07971703e-09] [-9.48222663e-10 -9.98190082e-10 -2.07971703e-09] [-1.33856930e-09 3.22089873e-10 2.07971703e-09] [ 3.90346638e-10 -1.32027996e-09 2.07971703e-09] [ 9.48222663e-10 9.98190082e-10 2.07971703e-09] [-1.33856930e-09 3.22089873e-10 2.07971703e-09] [ 3.90346638e-10 -1.32027996e-09 2.07971703e-09] [ 9.48222663e-10 9.98190082e-10 2.07971703e-09] [-1.33856930e-09 3.22089873e-10 2.07971703e-09] [ 3.90346638e-10 -1.32027996e-09 2.07971703e-09] [ 9.48222663e-10 9.98190082e-10 2.07971703e-09] [-3.29753262e-09 1.25402533e-09 -4.11920239e-10] [ 5.62748517e-10 -3.48275969e-09 -4.11920239e-10] [ 2.73478411e-09 2.22873436e-09 -4.11920239e-10] [-3.29753262e-09 1.25402533e-09 -4.11920239e-10] [ 5.62748517e-10 -3.48275969e-09 -4.11920239e-10] [ 2.73478411e-09 2.22873436e-09 -4.11920239e-10] [-3.29753262e-09 1.25402533e-09 -4.11920239e-10] [ 5.62748517e-10 -3.48275969e-09 -4.11920239e-10] [ 2.73478411e-09 2.22873436e-09 -4.11920239e-10] [ 3.29753262e-09 -1.25402533e-09 4.11920239e-10] [-5.62748517e-10 3.48275969e-09 4.11920239e-10] [-2.73478411e-09 -2.22873436e-09 4.11920239e-10] [ 3.29753262e-09 -1.25402533e-09 4.11920239e-10] [-5.62748517e-10 3.48275969e-09 4.11920239e-10] [-2.73478411e-09 -2.22873436e-09 4.11920239e-10] [ 3.29753262e-09 -1.25402533e-09 4.11920239e-10] [-5.62748517e-10 3.48275969e-09 4.11920239e-10] [-2.73478411e-09 -2.22873436e-09 4.11920239e-10] [ 1.65215800e-09 -9.80538048e-10 6.80172779e-10] [ 2.30918574e-11 1.92107983e-09 6.80172779e-10] [-1.67524986e-09 -9.40541778e-10 6.80172779e-10] [ 1.65215800e-09 -9.80538048e-10 6.80172779e-10] [ 2.30918574e-11 1.92107983e-09 6.80172779e-10] [-1.67524986e-09 -9.40541778e-10 6.80172779e-10] [ 1.65215800e-09 -9.80538048e-10 6.80172779e-10] [ 2.30918574e-11 1.92107983e-09 6.80172779e-10] [-1.67524986e-09 -9.40541778e-10 6.80172779e-10] [-1.65215800e-09 9.80538048e-10 -6.80172779e-10] [-2.30918574e-11 -1.92107983e-09 -6.80172779e-10] [ 1.67524986e-09 9.40541778e-10 -6.80172779e-10] [-1.65215800e-09 9.80538048e-10 -6.80172779e-10] [-2.30918574e-11 -1.92107983e-09 -6.80172779e-10] [ 1.67524986e-09 9.40541778e-10 -6.80172779e-10] [-1.65215800e-09 9.80538048e-10 -6.80172779e-10] [-2.30918574e-11 -1.92107983e-09 -6.80172779e-10] [ 1.67524986e-09 9.40541778e-10 -6.80172779e-10] [-3.02745575e-10 5.81823998e-10 -2.55710588e-10] [-3.52501576e-10 -5.53097358e-10 -2.55710588e-10] [ 6.55247150e-10 -2.87266403e-11 -2.55710588e-10] [-3.02745575e-10 5.81823998e-10 -2.55710588e-10] [-3.52501576e-10 -5.53097358e-10 -2.55710588e-10] [ 6.55247150e-10 -2.87266403e-11 -2.55710588e-10] [-3.02745575e-10 5.81823998e-10 -2.55710588e-10] [-3.52501576e-10 -5.53097358e-10 -2.55710588e-10] [ 6.55247150e-10 -2.87266403e-11 -2.55710588e-10] [ 3.02745575e-10 -5.81823998e-10 2.55710588e-10] [ 3.52501576e-10 5.53097358e-10 2.55710588e-10] [-6.55247150e-10 2.87266403e-11 2.55710588e-10] [ 3.02745575e-10 -5.81823998e-10 2.55710588e-10] [ 3.52501576e-10 5.53097358e-10 2.55710588e-10] [-6.55247150e-10 2.87266403e-11 2.55710588e-10] [ 3.02745575e-10 -5.81823998e-10 2.55710588e-10] [ 3.52501576e-10 5.53097358e-10 2.55710588e-10] [-6.55247150e-10 2.87266403e-11 2.55710588e-10]] stress = [-4.40264496e-11 -4.40264496e-11 -2.20369125e-10 3.71327111e-25 3.04530260e-25 -4.86238900e-25] energy per atom = -29.770618394752653 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0