element(s): ['Si'] AFLOW prototype label: A_mC164_15_e20f Parameter names: ['a', 'b/a', 'c/a', 'beta', 'y1', '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', 'x13', 'y13', 'z13', 'x14', 'y14', 'z14', 'x15', 'y15', 'z15', 'x16', 'y16', 'z16', 'x17', 'y17', 'z17', 'x18', 'y18', 'z18', 'x19', 'y19', 'z19', 'x20', 'y20', 'z20', 'x21', 'y21', 'z21'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['25.5153', '0.59626185', '0.38807304', '85.6678', '0.5018589', '0.68877825', '0.96352682', '0.39618647', '0.85290647', '0.066655781', '0.19885487', '0.85161909', '0.93394953', '0.32543919', '0.90872025', '0.95961914', '0.50215183', '0.39194115', '0.3160815', '0.19689941', '0.45947298', '0.2475486', '0.3176402', '0.2268061', '0.13306616', '0.35835738', '0.74433636', '0.76915545', '0.24636872', '0.32359862', '0.22635453', '0.12155393', '0.30617288', '0.092719903', '0.23378721', '0.44585184', '0.099109512', '0.39907312', '0.76670646', '0.88208696', '0.40378522', '0.46313645', '0.74291846', '0.18744694', '0.52487726', '0.65186183', '0.50503416', '0.39433722', '0.67549036', '0.32193311', '0.43434955', '0.610825', '0.50714113', '0.55091352', '0.89443078', '0.35966828', '0.33102234', '0.78459971', '0.3807846', '0.36635198', '0.90960313', '0.26587063', '0.36114403', '0.039715317', '0.39377295'] model name: Sim_LAMMPS_Vashishta_NakanoKaliaVashishta_1994_SiO__SM_503555646986_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0. 0.4981411 0.25 ] [0.31122175 0.96352682 0.60381353] [0.14709353 0.06665578 0.80114513] [0.14838091 0.93394953 0.67456081] [0.09127975 0.95961914 0.49784817] [0.60805885 0.3160815 0.80310059] [0.54052702 0.2475486 0.6823598 ] [0.7731939 0.13306616 0.64164262] [0.25566364 0.76915545 0.75363128] [0.67640138 0.22635453 0.87844607] [0.69382712 0.0927199 0.76621279] [0.55414816 0.09910951 0.60092688] [0.23329354 0.88208696 0.59621478] [0.53686355 0.74291846 0.81255306] [0.47512274 0.65186183 0.49496584] [0.60566278 0.67549036 0.67806689] [0.56565045 0.610825 0.49285887] [0.44908648 0.89443078 0.64033172] [0.66897766 0.78459971 0.6192154 ] [0.63364802 0.90960313 0.73412937] [0.63885597 0.03971532 0.60622705]] spacegroup = 15 cell = [[25.5153, 0, 0], [0, 15.2138, 0], [0.74797334784504, 0, 9.8735089563394]] ========================================= Step Time Energy fmax BFGS: 0 16:10:59 2769.119106 21.5934 BFGS: 1 16:10:59 2763.745947 21.5561 BFGS: 2 16:11:00 2758.749760 21.5201 BFGS: 3 16:11:00 2754.019478 21.4850 BFGS: 4 16:11:01 2749.485648 21.4507 BFGS: 5 16:11:02 2745.103666 21.4172 BFGS: 6 16:11:02 2740.842774 21.3844 BFGS: 7 16:11:02 2736.680840 21.3519 BFGS: 8 16:11:03 2732.601281 21.3200 BFGS: 9 16:11:03 2728.591293 21.2884 BFGS: 10 16:11:04 2724.640727 21.2591 BFGS: 11 16:11:05 2720.741269 21.2299 BFGS: 12 16:11:05 2716.885997 21.2008 BFGS: 13 16:11:06 2713.069021 21.1717 BFGS: 14 16:11:06 2709.285229 21.1427 BFGS: 15 16:11:07 2705.530112 21.1138 BFGS: 16 16:11:07 2701.799640 21.0850 BFGS: 17 16:11:08 2698.089999 21.0562 BFGS: 18 16:11:08 2694.398355 21.0275 BFGS: 19 16:11:09 2690.721602 20.9987 BFGS: 20 16:11:09 2687.056686 20.9700 BFGS: 21 16:11:10 2683.400635 20.9413 BFGS: 22 16:11:10 2679.750762 20.9127 BFGS: 23 16:11:10 2676.104143 20.8841 BFGS: 24 16:11:11 2672.458637 20.8556 BFGS: 25 16:11:11 2668.812720 20.8270 BFGS: 26 16:11:12 2665.165088 20.7984 BFGS: 27 16:11:12 2661.514910 20.7697 BFGS: 28 16:11:12 2657.861671 20.7411 BFGS: 29 16:11:13 2654.205999 20.7124 BFGS: 30 16:11:13 2650.549263 20.6836 BFGS: 31 16:11:14 2646.892245 20.6548 BFGS: 32 16:11:14 2643.235040 20.6260 BFGS: 33 16:11:14 2639.577702 20.5977 BFGS: 34 16:11:15 2635.920284 20.5701 BFGS: 35 16:11:15 2632.263008 20.5425 BFGS: 36 16:11:16 2628.606129 20.5149 BFGS: 37 16:11:16 2624.949704 20.4873 BFGS: 38 16:11:16 2621.293810 20.4598 BFGS: 39 16:11:17 2617.638525 20.4323 BFGS: 40 16:11:17 2613.983923 20.4047 BFGS: 41 16:11:17 2610.330073 20.3771 BFGS: 42 16:11:18 2606.677043 20.3495 BFGS: 43 16:11:18 2603.024892 20.3219 BFGS: 44 16:11:18 2599.373513 20.2943 BFGS: 45 16:11:19 2595.722784 20.2668 BFGS: 46 16:11:19 2592.072562 20.2398 BFGS: 47 16:11:19 2588.422274 20.2133 BFGS: 48 16:11:20 2584.771291 20.1869 BFGS: 49 16:11:20 2581.119227 20.1606 BFGS: 50 16:11:21 2577.465528 20.1343 BFGS: 51 16:11:21 2573.808847 20.1080 BFGS: 52 16:11:22 2570.145989 20.0818 BFGS: 53 16:11:22 2566.478194 20.0559 BFGS: 54 16:11:22 2562.805063 20.0307 BFGS: 55 16:11:23 2559.178913 20.0038 BFGS: 56 16:11:23 2555.546085 19.9770 BFGS: 57 16:11:24 2551.914294 19.9503 BFGS: 58 16:11:24 2548.282211 19.9235 BFGS: 59 16:11:25 2544.650368 19.8968 BFGS: 60 16:11:25 2541.018879 19.8702 BFGS: 61 16:11:26 2537.387507 19.8437 BFGS: 62 16:11:26 2533.756498 19.8171 BFGS: 63 16:11:27 2530.125954 19.7905 BFGS: 64 16:11:27 2526.495884 19.7639 BFGS: 65 16:11:28 2522.866374 19.7373 BFGS: 66 16:11:28 2519.237397 19.7111 BFGS: 67 16:11:28 2515.608168 19.6848 BFGS: 68 16:11:29 2511.978546 19.6585 BFGS: 69 16:11:29 2508.348797 19.6323 BFGS: 70 16:11:30 2504.719011 19.6060 BFGS: 71 16:11:30 2501.089305 19.5796 BFGS: 72 16:11:31 2497.459779 19.5533 BFGS: 73 16:11:31 2493.830548 19.5270 BFGS: 74 16:11:31 2490.203080 19.5009 BFGS: 75 16:11:32 2486.577910 19.4750 BFGS: 76 16:11:32 2482.953189 19.4492 BFGS: 77 16:11:33 2479.329626 19.4234 BFGS: 78 16:11:33 2475.707642 19.3975 BFGS: 79 16:11:33 2472.086563 19.3717 BFGS: 80 16:11:34 2468.466594 19.3458 BFGS: 81 16:11:34 2464.847723 19.3199 BFGS: 82 16:11:34 2461.230056 19.2957 BFGS: 83 16:11:35 2457.614484 19.2744 BFGS: 84 16:11:35 2453.999730 19.2532 BFGS: 85 16:11:35 2450.386141 19.2319 BFGS: 86 16:11:35 2446.773536 19.2107 BFGS: 87 16:11:36 2443.162179 19.1895 BFGS: 88 16:11:36 2439.552382 19.1685 BFGS: 89 16:11:36 2435.944577 19.1476 BFGS: 90 16:11:37 2432.338257 19.1266 BFGS: 91 16:11:37 2428.733514 19.1057 BFGS: 92 16:11:38 2425.130314 19.0848 BFGS: 93 16:11:38 2421.528689 19.0639 BFGS: 94 16:11:39 2417.929442 19.0432 BFGS: 95 16:11:39 2414.332096 19.0225 BFGS: 96 16:11:39 2410.736362 19.0018 BFGS: 97 16:11:40 2407.142433 18.9811 BFGS: 98 16:11:40 2403.550238 18.9605 BFGS: 99 16:11:41 2399.959737 18.9401 BFGS: 100 16:11:41 2396.369521 18.9196 BFGS: 101 16:11:42 2392.780678 18.8991 BFGS: 102 16:11:42 2389.192940 18.8785 BFGS: 103 16:11:43 2385.605912 18.8583 BFGS: 104 16:11:43 2382.019487 18.8385 BFGS: 105 16:11:43 2378.434150 18.8186 BFGS: 106 16:11:44 2374.849847 18.7987 BFGS: 107 16:11:44 2371.266540 18.7788 BFGS: 108 16:11:45 2367.684178 18.7590 BFGS: 109 16:11:45 2364.102218 18.7392 BFGS: 110 16:11:46 2360.519805 18.7194 BFGS: 111 16:11:46 2356.939809 18.6996 BFGS: 112 16:11:46 2353.360861 18.6797 BFGS: 113 16:11:47 2349.783243 18.6598 BFGS: 114 16:11:47 2346.206841 18.6399 BFGS: 115 16:11:48 2342.631577 18.6200 BFGS: 116 16:11:48 2339.057442 18.6000 BFGS: 117 16:11:48 2335.484234 18.5801 BFGS: 118 16:11:49 2331.911962 18.5601 BFGS: 119 16:11:49 2328.340587 18.5400 BFGS: 120 16:11:50 2324.770042 18.5200 BFGS: 121 16:11:50 2321.200139 18.5000 BFGS: 122 16:11:50 2317.631074 18.4799 BFGS: 123 16:11:51 2314.062971 18.4604 BFGS: 124 16:11:51 2310.496093 18.4409 BFGS: 125 16:11:52 2306.929856 18.4215 BFGS: 126 16:11:52 2303.364275 18.4020 BFGS: 127 16:11:52 2299.799322 18.3826 BFGS: 128 16:11:53 2296.235061 18.3631 BFGS: 129 16:11:53 2292.671445 18.3437 BFGS: 130 16:11:53 2289.108366 18.3242 BFGS: 131 16:11:54 2285.545820 18.3047 BFGS: 132 16:11:54 2281.983788 18.2853 BFGS: 133 16:11:55 2278.422799 18.2660 BFGS: 134 16:11:55 2274.862889 18.2466 BFGS: 135 16:11:55 2271.303603 18.2273 BFGS: 136 16:11:56 2267.744966 18.2078 BFGS: 137 16:11:56 2264.186930 18.1884 BFGS: 138 16:11:57 2260.629452 18.1689 BFGS: 139 16:11:57 2257.072493 18.1494 BFGS: 140 16:11:58 2253.516010 18.1299 BFGS: 141 16:11:58 2249.959964 18.1103 BFGS: 142 16:11:59 2246.404306 18.0908 BFGS: 143 16:11:59 2242.848615 18.0712 BFGS: 144 16:12:00 2239.293083 18.0518 BFGS: 145 16:12:00 2235.738091 18.0322 BFGS: 146 16:12:00 2232.183500 18.0127 BFGS: 147 16:12:01 2228.629265 17.9931 BFGS: 148 16:12:01 2225.075330 17.9736 BFGS: 149 16:12:02 2221.521619 17.9540 BFGS: 150 16:12:02 2217.967974 17.9344 BFGS: 151 16:12:02 2214.414227 17.9148 BFGS: 152 16:12:03 2210.860357 17.8952 BFGS: 153 16:12:03 2207.306398 17.8757 BFGS: 154 16:12:04 2203.752445 17.8560 BFGS: 155 16:12:04 2200.198500 17.8364 BFGS: 156 16:12:04 2196.644569 17.8167 BFGS: 157 16:12:05 2193.090662 17.7969 BFGS: 158 16:12:05 2189.536790 17.7771 BFGS: 159 16:12:05 2185.982964 17.7573 BFGS: 160 16:12:06 2182.429192 17.7375 BFGS: 161 16:12:06 2178.874876 17.7180 BFGS: 162 16:12:07 2175.318816 17.6984 BFGS: 163 16:12:07 2171.763022 17.6788 BFGS: 164 16:12:07 2168.207351 17.6592 BFGS: 165 16:12:08 2164.652177 17.6396 BFGS: 166 16:12:08 2161.097318 17.6200 BFGS: 167 16:12:09 2157.543155 17.6002 BFGS: 168 16:12:09 2153.989661 17.5805 BFGS: 169 16:12:09 2150.436766 17.5606 BFGS: 170 16:12:10 2146.880477 17.5406 BFGS: 171 16:12:10 2143.313735 17.5204 BFGS: 172 16:12:10 2139.731223 17.5003 BFGS: 173 16:12:11 2136.148336 17.4805 BFGS: 174 16:12:11 2132.575914 17.4612 BFGS: 175 16:12:12 2129.013306 17.4426 BFGS: 176 16:12:12 2125.456462 17.4248 BFGS: 177 16:12:12 2121.889636 17.4074 BFGS: 178 16:12:13 2118.293610 17.3893 BFGS: 179 16:12:13 2114.669381 17.3716 BFGS: 180 16:12:13 2111.024307 17.3524 BFGS: 181 16:12:14 2107.343065 17.3337 BFGS: 182 16:12:14 2103.626965 17.3157 BFGS: 183 16:12:15 2099.902069 17.2970 BFGS: 184 16:12:15 2096.131160 17.2788 BFGS: 185 16:12:15 2092.355137 17.2601 BFGS: 186 16:12:16 2088.526015 17.2416 BFGS: 187 16:12:16 2084.702989 17.2225 BFGS: 188 16:12:16 2080.816942 17.2038 BFGS: 189 16:12:17 2076.949614 17.1844 BFGS: 190 16:12:17 2073.013125 17.1654 BFGS: 191 16:12:17 2069.096587 17.1461 BFGS: 192 16:12:17 2065.102529 17.1271 BFGS: 193 16:12:18 2061.135008 17.1076 BFGS: 194 16:12:18 2057.082550 17.0881 BFGS: 195 16:12:18 2053.063048 17.0684 BFGS: 196 16:12:18 2048.955050 17.0490 BFGS: 197 16:12:19 2044.886464 17.0293 BFGS: 198 16:12:19 2040.741621 17.0095 BFGS: 199 16:12:19 2036.627777 16.9892 BFGS: 200 16:12:19 2032.435624 16.9688 BFGS: 201 16:12:20 2028.282500 16.9478 BFGS: 202 16:12:20 2024.043518 16.9269 BFGS: 203 16:12:20 2019.854636 16.9058 BFGS: 204 16:12:21 2015.568103 16.8848 BFGS: 205 16:12:21 2011.349426 16.8634 BFGS: 206 16:12:21 2007.012592 16.8419 BFGS: 207 16:12:22 2002.766598 16.8199 BFGS: 208 16:12:22 1998.371317 16.7978 BFGS: 209 16:12:22 1994.072975 16.7756 BFGS: 210 16:12:22 1989.629550 16.7530 BFGS: 211 16:12:23 1985.333405 16.7305 BFGS: 212 16:12:23 1980.854625 16.7076 BFGS: 213 16:12:23 1976.528830 16.6846 BFGS: 214 16:12:24 1972.003510 16.6608 BFGS: 215 16:12:24 1967.573834 16.6371 BFGS: 216 16:12:24 1962.967213 16.6126 BFGS: 217 16:12:24 1958.465314 16.5882 BFGS: 218 16:12:25 1953.814637 16.5630 BFGS: 219 16:12:25 1949.304452 16.5382 BFGS: 220 16:12:26 1944.626393 16.5124 BFGS: 221 16:12:26 1940.222793 16.4879 BFGS: 222 16:12:26 1935.716660 16.4630 BFGS: 223 16:12:27 1931.590633 16.4401 BFGS: 224 16:12:27 1927.678223 16.4180 BFGS: 225 16:12:28 1923.849829 16.3962 BFGS: 226 16:12:28 1920.093011 16.3753 BFGS: 227 16:12:28 1916.384532 16.3542 BFGS: 228 16:12:29 1912.710219 16.3331 BFGS: 229 16:12:29 1909.060421 16.3118 BFGS: 230 16:12:29 1905.429030 16.2905 BFGS: 231 16:12:30 1901.811240 16.2690 BFGS: 232 16:12:30 1898.204821 16.2475 BFGS: 233 16:12:30 1894.608881 16.2258 BFGS: 234 16:12:31 1891.022953 16.2041 BFGS: 235 16:12:31 1887.446782 16.1824 BFGS: 236 16:12:31 1883.880152 16.1609 BFGS: 237 16:12:31 1880.324872 16.1394 BFGS: 238 16:12:32 1876.780638 16.1179 BFGS: 239 16:12:32 1873.246118 16.0964 BFGS: 240 16:12:32 1869.721018 16.0748 BFGS: 241 16:12:32 1866.205249 16.0532 BFGS: 242 16:12:32 1862.698773 16.0315 BFGS: 243 16:12:33 1859.201568 16.0097 BFGS: 244 16:12:33 1855.713604 15.9880 BFGS: 245 16:12:33 1852.234830 15.9661 BFGS: 246 16:12:33 1848.766581 15.9443 BFGS: 247 16:12:33 1845.311129 15.9224 BFGS: 248 16:12:34 1841.868005 15.9005 BFGS: 249 16:12:34 1838.436234 15.8785 BFGS: 250 16:12:34 1835.013862 15.8565 BFGS: 251 16:12:34 1831.598761 15.8344 BFGS: 252 16:12:35 1828.190562 15.8126 BFGS: 253 16:12:35 1824.797104 15.7908 BFGS: 254 16:12:36 1821.412802 15.7688 BFGS: 255 16:12:36 1818.035737 15.7468 BFGS: 256 16:12:36 1814.665053 15.7248 BFGS: 257 16:12:37 1811.301130 15.7027 BFGS: 258 16:12:37 1807.943120 15.6805 BFGS: 259 16:12:38 1804.590314 15.6581 BFGS: 260 16:12:38 1801.242070 15.6357 BFGS: 261 16:12:38 1797.897770 15.6131 BFGS: 262 16:12:39 1794.556810 15.5904 BFGS: 263 16:12:39 1791.218569 15.5677 BFGS: 264 16:12:39 1787.882232 15.5448 BFGS: 265 16:12:40 1784.547441 15.5220 BFGS: 266 16:12:40 1781.214687 15.4991 BFGS: 267 16:12:40 1777.882860 15.4761 BFGS: 268 16:12:41 1774.550727 15.4529 BFGS: 269 16:12:41 1771.217204 15.4297 BFGS: 270 16:12:41 1767.881516 15.4064 BFGS: 271 16:12:42 1764.541382 15.3831 BFGS: 272 16:12:42 1761.195483 15.3595 BFGS: 273 16:12:42 1757.843339 15.3359 BFGS: 274 16:12:43 1754.484362 15.3121 BFGS: 275 16:12:43 1751.117955 15.2881 BFGS: 276 16:12:43 1747.743649 15.2639 BFGS: 277 16:12:44 1744.361015 15.2396 BFGS: 278 16:12:44 1740.969661 15.2150 BFGS: 279 16:12:45 1737.569232 15.1903 BFGS: 280 16:12:45 1734.159423 15.1653 BFGS: 281 16:12:45 1730.739921 15.1402 BFGS: 282 16:12:46 1727.313055 15.1150 BFGS: 283 16:12:46 1723.881380 15.0896 BFGS: 284 16:12:46 1720.443966 15.0641 BFGS: 285 16:12:47 1716.999437 15.0385 BFGS: 286 16:12:47 1713.547846 15.0128 BFGS: 287 16:12:48 1710.091318 14.9869 BFGS: 288 16:12:48 1706.629792 14.9609 BFGS: 289 16:12:48 1703.162800 14.9346 BFGS: 290 16:12:49 1699.690179 14.9082 BFGS: 291 16:12:49 1696.213086 14.8816 BFGS: 292 16:12:49 1692.733130 14.8550 BFGS: 293 16:12:50 1689.250218 14.8285 BFGS: 294 16:12:50 1685.763230 14.8019 BFGS: 295 16:12:50 1682.273864 14.7753 BFGS: 296 16:12:51 1678.780563 14.7490 BFGS: 297 16:12:51 1675.279323 14.7226 BFGS: 298 16:12:51 1671.773734 14.6961 BFGS: 299 16:12:52 1668.266475 14.6694 BFGS: 300 16:12:52 1664.759577 14.6430 BFGS: 301 16:12:53 1661.251511 14.6166 BFGS: 302 16:12:54 1657.744154 14.5900 BFGS: 303 16:12:55 1654.239472 14.5633 BFGS: 304 16:12:56 1650.739328 14.5366 BFGS: 305 16:12:56 1647.245473 14.5097 BFGS: 306 16:12:56 1643.759523 14.4829 BFGS: 307 16:12:57 1640.282814 14.4561 BFGS: 308 16:12:58 1636.816617 14.4293 BFGS: 309 16:12:58 1633.362155 14.4031 BFGS: 310 16:12:58 1629.915307 14.3773 BFGS: 311 16:12:58 1626.469654 14.3515 BFGS: 312 16:12:58 1623.031372 14.3256 BFGS: 313 16:12:58 1619.603044 14.2998 BFGS: 314 16:12:59 1616.185841 14.2744 BFGS: 315 16:12:59 1612.783407 14.2491 BFGS: 316 16:12:59 1609.393864 14.2238 BFGS: 317 16:12:59 1606.016665 14.1986 BFGS: 318 16:13:00 1602.652806 14.1734 BFGS: 319 16:13:00 1599.304435 14.1483 BFGS: 320 16:13:00 1595.973479 14.1239 BFGS: 321 16:13:01 1592.659925 14.1002 BFGS: 322 16:13:01 1589.363503 14.0765 BFGS: 323 16:13:02 1586.086402 14.0530 BFGS: 324 16:13:02 1582.829817 14.0295 BFGS: 325 16:13:02 1579.594164 14.0062 BFGS: 326 16:13:03 1576.374670 13.9829 BFGS: 327 16:13:03 1573.170608 13.9597 BFGS: 328 16:13:04 1569.978803 13.9366 BFGS: 329 16:13:04 1566.804335 13.9135 BFGS: 330 16:13:04 1563.648935 13.8910 BFGS: 331 16:13:04 1560.512874 13.8685 BFGS: 332 16:13:04 1557.396562 13.8462 BFGS: 333 16:13:05 1554.299426 13.8239 BFGS: 334 16:13:05 1551.221924 13.8017 BFGS: 335 16:13:05 1548.164128 13.7796 BFGS: 336 16:13:05 1545.125942 13.7579 BFGS: 337 16:13:05 1542.105741 13.7365 BFGS: 338 16:13:05 1539.103611 13.7155 BFGS: 339 16:13:05 1536.122974 13.6951 BFGS: 340 16:13:05 1533.171646 13.6748 BFGS: 341 16:13:05 1530.246340 13.6547 BFGS: 342 16:13:05 1527.345594 13.6346 BFGS: 343 16:13:05 1524.468624 13.6146 BFGS: 344 16:13:05 1521.614810 13.5947 BFGS: 345 16:13:05 1518.783495 13.5751 BFGS: 346 16:13:05 1515.971909 13.5555 BFGS: 347 16:13:05 1513.180624 13.5359 BFGS: 348 16:13:06 1510.409643 13.5164 BFGS: 349 16:13:06 1507.658792 13.4973 BFGS: 350 16:13:06 1504.926183 13.4783 BFGS: 351 16:13:06 1502.211084 13.4593 BFGS: 352 16:13:06 1499.513957 13.4403 BFGS: 353 16:13:06 1496.834844 13.4213 BFGS: 354 16:13:06 1494.173630 13.4023 BFGS: 355 16:13:06 1491.530137 13.3834 BFGS: 356 16:13:06 1488.904111 13.3644 BFGS: 357 16:13:06 1486.295102 13.3454 BFGS: 358 16:13:06 1483.703173 13.3265 BFGS: 359 16:13:06 1481.128124 13.3075 BFGS: 360 16:13:06 1478.569658 13.2885 BFGS: 361 16:13:06 1476.027439 13.2695 BFGS: 362 16:13:06 1473.501086 13.2509 BFGS: 363 16:13:07 1470.989468 13.2326 BFGS: 364 16:13:07 1468.490810 13.2144 BFGS: 365 16:13:07 1466.005056 13.1961 BFGS: 366 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16:14:46 533.112117 5.5233 BFGS: 1079 16:14:46 532.311977 5.5145 BFGS: 1080 16:14:46 531.513347 5.5056 BFGS: 1081 16:14:46 530.716203 5.4968 BFGS: 1082 16:14:46 529.920522 5.4879 BFGS: 1083 16:14:46 529.126281 5.4791 BFGS: 1084 16:14:47 528.333442 5.4705 BFGS: 1085 16:14:47 527.542208 5.4620 BFGS: 1086 16:14:47 526.752545 5.4550 BFGS: 1087 16:14:47 525.964980 5.4495 BFGS: 1088 16:14:47 525.178998 5.4439 BFGS: 1089 16:14:47 524.394204 5.4383 BFGS: 1090 16:14:48 523.610014 5.4327 BFGS: 1091 16:14:48 522.826585 5.4271 BFGS: 1092 16:14:48 522.044204 5.4214 BFGS: 1093 16:14:48 521.263438 5.4158 BFGS: 1094 16:14:48 520.483917 5.4100 BFGS: 1095 16:14:48 519.705146 5.4042 BFGS: 1096 16:14:49 518.926942 5.3984 BFGS: 1097 16:14:49 518.149097 5.3924 BFGS: 1098 16:14:49 517.371373 5.3865 BFGS: 1099 16:14:49 516.593494 5.3805 BFGS: 1100 16:14:49 515.815131 5.3744 BFGS: 1101 16:14:49 515.035888 5.3683 BFGS: 1102 16:14:50 514.255274 5.3622 BFGS: 1103 16:14:50 513.472671 5.3560 BFGS: 1104 16:14:50 512.687286 5.3498 BFGS: 1105 16:14:50 511.898142 5.3439 BFGS: 1106 16:14:50 511.103775 5.3380 BFGS: 1107 16:14:51 510.302811 5.3321 BFGS: 1108 16:14:51 509.493791 5.3263 BFGS: 1109 16:14:51 508.675568 5.3207 BFGS: 1110 16:14:51 507.847831 5.3151 BFGS: 1111 16:14:51 507.014982 5.3095 BFGS: 1112 16:14:51 506.182476 5.3039 BFGS: 1113 16:14:52 505.350356 5.2983 BFGS: 1114 16:14:52 504.519818 5.2926 BFGS: 1115 16:14:52 503.691056 5.2869 BFGS: 1116 16:14:52 502.864116 5.2812 BFGS: 1117 16:14:52 502.038961 5.2759 BFGS: 1118 16:14:52 501.215455 5.2706 BFGS: 1119 16:14:52 500.393828 5.2652 BFGS: 1120 16:14:53 499.573362 5.2599 BFGS: 1121 16:14:53 498.753719 5.2546 BFGS: 1122 16:14:53 497.935442 5.2493 BFGS: 1123 16:14:53 497.118813 5.2440 BFGS: 1124 16:14:53 496.304320 5.2390 BFGS: 1125 16:14:54 495.491797 5.2340 BFGS: 1126 16:14:54 494.681299 5.2289 BFGS: 1127 16:14:54 493.873556 5.2240 BFGS: 1128 16:14:54 493.070053 5.2189 BFGS: 1129 16:14:54 492.272209 5.2137 BFGS: 1130 16:14:54 491.480259 5.2084 BFGS: 1131 16:14:55 490.694688 5.2030 BFGS: 1132 16:14:55 489.916164 5.1975 BFGS: 1133 16:14:55 489.144109 5.1919 BFGS: 1134 16:14:55 488.377640 5.1864 BFGS: 1135 16:14:55 487.617927 5.1809 BFGS: 1136 16:14:55 486.864632 5.1756 BFGS: 1137 16:14:55 486.115194 5.1703 BFGS: 1138 16:14:56 485.368673 5.1650 BFGS: 1139 16:14:56 484.624210 5.1598 BFGS: 1140 16:14:56 483.881547 5.1545 BFGS: 1141 16:14:56 483.140454 5.1493 BFGS: 1142 16:14:56 482.400533 5.1442 BFGS: 1143 16:14:56 481.661461 5.1390 BFGS: 1144 16:14:57 480.923092 5.1338 BFGS: 1145 16:14:57 480.185335 5.1287 BFGS: 1146 16:14:57 479.448159 5.1235 BFGS: 1147 16:14:57 478.711623 5.1185 BFGS: 1148 16:14:57 477.977700 5.1134 BFGS: 1149 16:14:57 477.246758 5.1083 BFGS: 1150 16:14:58 476.519201 5.1032 BFGS: 1151 16:14:58 475.795158 5.0979 BFGS: 1152 16:14:58 475.075075 5.0926 BFGS: 1153 16:14:58 474.359412 5.0874 BFGS: 1154 16:14:58 473.649719 5.0824 BFGS: 1155 16:14:58 472.945143 5.0773 BFGS: 1156 16:14:58 472.244099 5.0721 BFGS: 1157 16:14:59 471.545103 5.0669 BFGS: 1158 16:14:59 470.847427 5.0616 BFGS: 1159 16:14:59 470.150789 5.0562 BFGS: 1160 16:14:59 469.455026 5.0509 BFGS: 1161 16:14:59 468.759996 5.0455 BFGS: 1162 16:14:59 468.065564 5.0401 BFGS: 1163 16:14:59 467.371585 5.0346 BFGS: 1164 16:15:00 466.677899 5.0292 BFGS: 1165 16:15:00 465.984314 5.0237 BFGS: 1166 16:15:00 465.290594 5.0182 BFGS: 1167 16:15:00 464.596440 5.0128 BFGS: 1168 16:15:00 463.901470 5.0073 BFGS: 1169 16:15:00 463.205180 5.0018 BFGS: 1170 16:15:00 462.506901 4.9964 BFGS: 1171 16:15:01 461.805747 4.9911 BFGS: 1172 16:15:01 461.100413 4.9859 BFGS: 1173 16:15:01 460.388863 4.9809 BFGS: 1174 16:15:01 459.669503 4.9759 BFGS: 1175 16:15:01 458.942437 4.9711 BFGS: 1176 16:15:01 458.212622 4.9664 BFGS: 1177 16:15:01 457.489223 4.9616 BFGS: 1178 16:15:02 456.769157 4.9568 BFGS: 1179 16:15:02 456.051914 4.9519 BFGS: 1180 16:15:02 455.337333 4.9470 BFGS: 1181 16:15:02 454.625371 4.9421 BFGS: 1182 16:15:02 453.916044 4.9371 BFGS: 1183 16:15:02 453.209396 4.9320 BFGS: 1184 16:15:02 452.505489 4.9270 BFGS: 1185 16:15:03 451.804402 4.9218 BFGS: 1186 16:15:03 451.106229 4.9167 BFGS: 1187 16:15:03 450.411079 4.9115 BFGS: 1188 16:15:03 449.719077 4.9062 BFGS: 1189 16:15:03 449.030373 4.9009 BFGS: 1190 16:15:03 448.345140 4.8956 BFGS: 1191 16:15:03 447.663583 4.8902 BFGS: 1192 16:15:03 446.985941 4.8848 BFGS: 1193 16:15:04 446.312485 4.8793 BFGS: 1194 16:15:04 445.643510 4.8738 BFGS: 1195 16:15:04 444.979314 4.8682 BFGS: 1196 16:15:04 444.320135 4.8625 BFGS: 1197 16:15:04 443.666062 4.8569 BFGS: 1198 16:15:04 443.016910 4.8511 BFGS: 1199 16:15:04 442.372164 4.8454 BFGS: 1200 16:15:05 441.731075 4.8396 BFGS: 1201 16:15:05 441.092922 4.8338 BFGS: 1202 16:15:05 440.457188 4.8281 BFGS: 1203 16:15:05 439.823555 4.8223 BFGS: 1204 16:15:05 439.191837 4.8165 BFGS: 1205 16:15:05 438.561922 4.8107 BFGS: 1206 16:15:05 437.933744 4.8049 BFGS: 1207 16:15:05 437.307264 4.7991 BFGS: 1208 16:15:05 436.682433 4.7934 BFGS: 1209 16:15:06 436.059522 4.7876 BFGS: 1210 16:15:06 435.438840 4.7817 BFGS: 1211 16:15:06 434.820221 4.7759 BFGS: 1212 16:15:06 434.203531 4.7701 BFGS: 1213 16:15:06 433.588714 4.7642 BFGS: 1214 16:15:06 432.975758 4.7583 BFGS: 1215 16:15:06 432.364694 4.7524 BFGS: 1216 16:15:06 431.753734 4.7467 BFGS: 1217 16:15:06 431.143346 4.7411 BFGS: 1218 16:15:07 430.533745 4.7354 BFGS: 1219 16:15:07 429.924870 4.7298 BFGS: 1220 16:15:07 429.317100 4.7241 BFGS: 1221 16:15:07 428.710722 4.7184 BFGS: 1222 16:15:07 428.105829 4.7128 BFGS: 1223 16:15:07 427.502590 4.7071 BFGS: 1224 16:15:07 426.901243 4.7013 BFGS: 1225 16:15:07 426.302096 4.6956 BFGS: 1226 16:15:07 425.705497 4.6898 BFGS: 1227 16:15:08 425.111773 4.6839 BFGS: 1228 16:15:08 424.521072 4.6780 BFGS: 1229 16:15:08 423.933062 4.6721 BFGS: 1230 16:15:08 423.346366 4.6660 BFGS: 1231 16:15:08 422.759597 4.6600 BFGS: 1232 16:15:08 422.172193 4.6539 BFGS: 1233 16:15:08 421.583884 4.6477 BFGS: 1234 16:15:08 420.994466 4.6415 BFGS: 1235 16:15:08 420.403831 4.6352 BFGS: 1236 16:15:09 419.811783 4.6292 BFGS: 1237 16:15:09 419.216411 4.6236 BFGS: 1238 16:15:09 418.615280 4.6181 BFGS: 1239 16:15:09 418.006006 4.6128 BFGS: 1240 16:15:09 417.388594 4.6075 BFGS: 1241 16:15:09 416.769487 4.6022 BFGS: 1242 16:15:09 416.151345 4.5969 BFGS: 1243 16:15:09 415.534808 4.5915 BFGS: 1244 16:15:09 414.920033 4.5861 BFGS: 1245 16:15:10 414.311178 4.5807 BFGS: 1246 16:15:10 413.701618 4.5752 BFGS: 1247 16:15:10 413.096191 4.5697 BFGS: 1248 16:15:10 412.490798 4.5641 BFGS: 1249 16:15:10 411.888862 4.5585 BFGS: 1250 16:15:10 411.287779 4.5528 BFGS: 1251 16:15:10 410.689480 4.5471 BFGS: 1252 16:15:10 410.092674 4.5413 BFGS: 1253 16:15:10 409.498202 4.5354 BFGS: 1254 16:15:11 408.905576 4.5295 BFGS: 1255 16:15:11 408.314937 4.5237 BFGS: 1256 16:15:11 407.726148 4.5180 BFGS: 1257 16:15:11 407.139697 4.5122 BFGS: 1258 16:15:11 406.555085 4.5063 BFGS: 1259 16:15:11 405.972443 4.5004 BFGS: 1260 16:15:11 405.391741 4.4945 BFGS: 1261 16:15:11 404.813181 4.4886 BFGS: 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375.768929 4.2161 BFGS: 1315 16:15:18 375.240795 4.2125 BFGS: 1316 16:15:18 374.713599 4.2090 BFGS: 1317 16:15:18 374.187341 4.2053 BFGS: 1318 16:15:19 373.661996 4.2019 BFGS: 1319 16:15:19 373.137162 4.1985 BFGS: 1320 16:15:19 372.613168 4.1950 BFGS: 1321 16:15:19 372.090058 4.1914 BFGS: 1322 16:15:19 371.567832 4.1879 BFGS: 1323 16:15:19 371.046491 4.1842 BFGS: 1324 16:15:19 370.526034 4.1806 BFGS: 1325 16:15:19 370.006463 4.1768 BFGS: 1326 16:15:20 369.487880 4.1731 BFGS: 1327 16:15:20 368.970352 4.1693 BFGS: 1328 16:15:20 368.453654 4.1654 BFGS: 1329 16:15:20 367.937754 4.1619 BFGS: 1330 16:15:20 367.422702 4.1583 BFGS: 1331 16:15:20 366.908369 4.1548 BFGS: 1332 16:15:20 366.394627 4.1512 BFGS: 1333 16:15:20 365.880483 4.1476 BFGS: 1334 16:15:21 365.365018 4.1440 BFGS: 1335 16:15:21 364.850531 4.1406 BFGS: 1336 16:15:21 364.337956 4.1372 BFGS: 1337 16:15:21 363.825500 4.1338 BFGS: 1338 16:15:21 363.313429 4.1304 BFGS: 1339 16:15:21 362.801501 4.1270 BFGS: 1340 16:15:21 362.291058 4.1236 BFGS: 1341 16:15:21 361.781040 4.1202 BFGS: 1342 16:15:22 361.271258 4.1167 BFGS: 1343 16:15:22 360.761614 4.1134 BFGS: 1344 16:15:22 360.253810 4.1101 BFGS: 1345 16:15:22 359.746215 4.1068 BFGS: 1346 16:15:22 359.238634 4.1035 BFGS: 1347 16:15:22 358.731056 4.1001 BFGS: 1348 16:15:22 358.223414 4.0967 BFGS: 1349 16:15:23 357.715684 4.0932 BFGS: 1350 16:15:23 357.207824 4.0896 BFGS: 1351 16:15:23 356.699802 4.0860 BFGS: 1352 16:15:23 356.191578 4.0824 BFGS: 1353 16:15:23 355.683111 4.0786 BFGS: 1354 16:15:23 355.174348 4.0749 BFGS: 1355 16:15:23 354.665233 4.0710 BFGS: 1356 16:15:23 354.155693 4.0671 BFGS: 1357 16:15:24 353.645612 4.0631 BFGS: 1358 16:15:24 353.133186 4.0591 BFGS: 1359 16:15:24 352.618634 4.0549 BFGS: 1360 16:15:24 352.102721 4.0507 BFGS: 1361 16:15:24 351.584467 4.0464 BFGS: 1362 16:15:24 351.063402 4.0424 BFGS: 1363 16:15:24 350.539438 4.0385 BFGS: 1364 16:15:24 350.010298 4.0344 BFGS: 1365 16:15:25 349.478866 4.0301 BFGS: 1366 16:15:25 348.955226 4.0259 BFGS: 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0.3771 BFGS: 2867 16:18:29 2.811024 0.3758 BFGS: 2868 16:18:29 2.783285 0.3744 BFGS: 2869 16:18:29 2.755661 0.3729 BFGS: 2870 16:18:29 2.728231 0.3712 BFGS: 2871 16:18:29 2.700974 0.3695 BFGS: 2872 16:18:29 2.673882 0.3676 BFGS: 2873 16:18:29 2.646945 0.3657 BFGS: 2874 16:18:30 2.620159 0.3636 BFGS: 2875 16:18:30 2.593500 0.3615 BFGS: 2876 16:18:30 2.567022 0.3591 BFGS: 2877 16:18:30 2.540786 0.3565 BFGS: 2878 16:18:30 2.514779 0.3539 BFGS: 2879 16:18:30 2.488972 0.3512 BFGS: 2880 16:18:30 2.463355 0.3485 BFGS: 2881 16:18:30 2.437915 0.3457 BFGS: 2882 16:18:31 2.412644 0.3429 BFGS: 2883 16:18:31 2.387534 0.3401 BFGS: 2884 16:18:31 2.362578 0.3372 BFGS: 2885 16:18:31 2.337771 0.3342 BFGS: 2886 16:18:31 2.313106 0.3312 BFGS: 2887 16:18:31 2.288579 0.3282 BFGS: 2888 16:18:32 2.264185 0.3252 BFGS: 2889 16:18:32 2.239918 0.3221 BFGS: 2890 16:18:32 2.215766 0.3190 BFGS: 2891 16:18:32 2.191727 0.3157 BFGS: 2892 16:18:32 2.167822 0.3125 BFGS: 2893 16:18:32 2.144033 0.3092 BFGS: 2894 16:18:32 2.120358 0.3060 BFGS: 2895 16:18:32 2.096727 0.3026 BFGS: 2896 16:18:33 2.072998 0.2993 BFGS: 2897 16:18:33 2.049275 0.2960 BFGS: 2898 16:18:33 2.025598 0.2928 BFGS: 2899 16:18:33 2.001983 0.2895 BFGS: 2900 16:18:33 1.978439 0.2862 BFGS: 2901 16:18:33 1.954959 0.2828 BFGS: 2902 16:18:33 1.931584 0.2793 BFGS: 2903 16:18:33 1.908343 0.2758 BFGS: 2904 16:18:34 1.885208 0.2723 BFGS: 2905 16:18:34 1.862177 0.2689 BFGS: 2906 16:18:34 1.839552 0.2655 BFGS: 2907 16:18:34 1.817653 0.2623 BFGS: 2908 16:18:34 1.796416 0.2591 BFGS: 2909 16:18:34 1.775733 0.2560 BFGS: 2910 16:18:34 1.755443 0.2528 BFGS: 2911 16:18:35 1.735364 0.2496 BFGS: 2912 16:18:35 1.715409 0.2462 BFGS: 2913 16:18:35 1.695502 0.2427 BFGS: 2914 16:18:35 1.675598 0.2390 BFGS: 2915 16:18:35 1.655670 0.2357 BFGS: 2916 16:18:35 1.635705 0.2326 BFGS: 2917 16:18:35 1.615698 0.2295 BFGS: 2918 16:18:35 1.595661 0.2264 BFGS: 2919 16:18:36 1.575676 0.2224 BFGS: 2920 16:18:36 1.554995 0.2178 BFGS: 2921 16:18:36 1.531944 0.2155 BFGS: 2922 16:18:36 1.508973 0.2152 BFGS: 2923 16:18:36 1.485757 0.2145 BFGS: 2924 16:18:36 1.462360 0.2134 BFGS: 2925 16:18:36 1.438808 0.2117 BFGS: 2926 16:18:36 1.415113 0.2096 BFGS: 2927 16:18:37 1.391326 0.2070 BFGS: 2928 16:18:37 1.367402 0.2040 BFGS: 2929 16:18:37 1.343678 0.2012 BFGS: 2930 16:18:37 1.319772 0.2021 BFGS: 2931 16:18:37 1.295696 0.2029 BFGS: 2932 16:18:37 1.271502 0.2032 BFGS: 2933 16:18:37 1.247391 0.2033 BFGS: 2934 16:18:37 1.223585 0.2028 BFGS: 2935 16:18:38 1.200192 0.2019 BFGS: 2936 16:18:38 1.177297 0.2005 BFGS: 2937 16:18:38 1.154906 0.1985 BFGS: 2938 16:18:38 1.133108 0.1958 BFGS: 2939 16:18:38 1.111986 0.1925 BFGS: 2940 16:18:38 1.091695 0.1884 BFGS: 2941 16:18:38 1.072614 0.1842 BFGS: 2942 16:18:39 1.054860 0.1800 BFGS: 2943 16:18:39 1.038374 0.1761 BFGS: 2944 16:18:39 1.023006 0.1723 BFGS: 2945 16:18:39 1.008589 0.1684 BFGS: 2946 16:18:39 0.995115 0.1650 BFGS: 2947 16:18:39 0.982406 0.1618 BFGS: 2948 16:18:39 0.970351 0.1589 BFGS: 2949 16:18:39 0.958835 0.1562 BFGS: 2950 16:18:40 0.947723 0.1538 BFGS: 2951 16:18:40 0.936962 0.1515 BFGS: 2952 16:18:40 0.926393 0.1489 BFGS: 2953 16:18:40 0.915919 0.1460 BFGS: 2954 16:18:40 0.905542 0.1430 BFGS: 2955 16:18:40 0.895229 0.1396 BFGS: 2956 16:18:40 0.884902 0.1360 BFGS: 2957 16:18:40 0.874511 0.1321 BFGS: 2958 16:18:41 0.864019 0.1278 BFGS: 2959 16:18:41 0.853404 0.1232 BFGS: 2960 16:18:41 0.842655 0.1224 BFGS: 2961 16:18:41 0.831769 0.1229 BFGS: 2962 16:18:41 0.820747 0.1233 BFGS: 2963 16:18:41 0.809601 0.1236 BFGS: 2964 16:18:41 0.798413 0.1239 BFGS: 2965 16:18:41 0.787158 0.1242 BFGS: 2966 16:18:42 0.775844 0.1244 BFGS: 2967 16:18:42 0.764489 0.1245 BFGS: 2968 16:18:42 0.753245 0.1246 BFGS: 2969 16:18:42 0.742253 0.1248 BFGS: 2970 16:18:42 0.731064 0.1254 BFGS: 2971 16:18:42 0.719961 0.1258 BFGS: 2972 16:18:42 0.709112 0.1260 BFGS: 2973 16:18:43 0.698898 0.1268 BFGS: 2974 16:18:43 0.689246 0.1284 BFGS: 2975 16:18:43 0.680050 0.1310 BFGS: 2976 16:18:43 0.671224 0.1346 BFGS: 2977 16:18:43 0.662583 0.1392 BFGS: 2978 16:18:43 0.653858 0.1450 BFGS: 2979 16:18:43 0.644729 0.1514 BFGS: 2980 16:18:43 0.635105 0.1582 BFGS: 2981 16:18:44 0.624825 0.1649 BFGS: 2982 16:18:44 0.614049 0.1707 BFGS: 2983 16:18:44 0.603073 0.1750 BFGS: 2984 16:18:44 0.591881 0.1774 BFGS: 2985 16:18:44 0.581269 0.1784 BFGS: 2986 16:18:44 0.571586 0.1781 BFGS: 2987 16:18:44 0.561930 0.1759 BFGS: 2988 16:18:44 0.552456 0.1726 BFGS: 2989 16:18:45 0.543407 0.1684 BFGS: 2990 16:18:45 0.535558 0.1647 BFGS: 2991 16:18:45 0.528620 0.1617 BFGS: 2992 16:18:45 0.522255 0.1593 BFGS: 2993 16:18:45 0.516189 0.1576 BFGS: 2994 16:18:45 0.510223 0.1562 BFGS: 2995 16:18:45 0.504315 0.1551 BFGS: 2996 16:18:46 0.497112 0.1542 BFGS: 2997 16:18:46 0.488860 0.1527 BFGS: 2998 16:18:46 0.477979 0.1505 BFGS: 2999 16:18:46 0.465809 0.1469 BFGS: 3000 16:18:46 0.451491 0.1437 BFGS: 3001 16:18:46 0.439465 0.1382 BFGS: 3002 16:18:46 0.427491 0.1390 BFGS: 3003 16:18:46 0.413905 0.1382 BFGS: 3004 16:18:47 0.404739 0.1376 BFGS: 3005 16:18:47 0.397318 0.1365 BFGS: 3006 16:18:47 0.390690 0.1349 BFGS: 3007 16:18:47 0.384583 0.1326 BFGS: 3008 16:18:47 0.378776 0.1297 BFGS: 3009 16:18:47 0.373327 0.1262 BFGS: 3010 16:18:47 0.368182 0.1217 BFGS: 3011 16:18:47 0.363326 0.1163 BFGS: 3012 16:18:48 0.358553 0.1098 BFGS: 3013 16:18:48 0.353639 0.1022 BFGS: 3014 16:18:48 0.348085 0.0978 BFGS: 3015 16:18:48 0.341564 0.1051 BFGS: 3016 16:18:48 0.334836 0.1073 BFGS: 3017 16:18:48 0.327874 0.1016 BFGS: 3018 16:18:48 0.319299 0.0878 BFGS: 3019 16:18:48 0.312788 0.0870 BFGS: 3020 16:18:49 0.307521 0.0849 BFGS: 3021 16:18:49 0.301204 0.0826 BFGS: 3022 16:18:49 0.294311 0.0835 BFGS: 3023 16:18:49 0.287524 0.0881 BFGS: 3024 16:18:49 0.280550 0.0921 BFGS: 3025 16:18:49 0.273397 0.0956 BFGS: 3026 16:18:49 0.266123 0.0986 BFGS: 3027 16:18:49 0.258792 0.1012 BFGS: 3028 16:18:50 0.251491 0.1034 BFGS: 3029 16:18:50 0.244291 0.1053 BFGS: 3030 16:18:50 0.237197 0.1071 BFGS: 3031 16:18:50 0.230266 0.1088 BFGS: 3032 16:18:50 0.223533 0.1103 BFGS: 3033 16:18:50 0.217142 0.1101 BFGS: 3034 16:18:50 0.210621 0.1078 BFGS: 3035 16:18:50 0.204173 0.1055 BFGS: 3036 16:18:51 0.198106 0.1028 BFGS: 3037 16:18:51 0.192462 0.0999 BFGS: 3038 16:18:51 0.187273 0.0969 BFGS: 3039 16:18:51 0.182458 0.0937 BFGS: 3040 16:18:51 0.177914 0.0902 BFGS: 3041 16:18:51 0.173227 0.0858 BFGS: 3042 16:18:51 0.169166 0.0809 BFGS: 3043 16:18:51 0.165498 0.0763 BFGS: 3044 16:18:51 0.162152 0.0719 BFGS: 3045 16:18:52 0.158974 0.0678 BFGS: 3046 16:18:52 0.155889 0.0642 BFGS: 3047 16:18:52 0.152719 0.0609 BFGS: 3048 16:18:52 0.149329 0.0581 BFGS: 3049 16:18:52 0.145624 0.0559 BFGS: 3050 16:18:52 0.141502 0.0546 BFGS: 3051 16:18:52 0.136834 0.0547 BFGS: 3052 16:18:52 0.131428 0.0567 BFGS: 3053 16:18:53 0.126591 0.0613 BFGS: 3054 16:18:53 0.123676 0.0630 BFGS: 3055 16:18:53 0.119554 0.0626 BFGS: 3056 16:18:53 0.116327 0.0597 BFGS: 3057 16:18:53 0.112789 0.0548 BFGS: 3058 16:18:53 0.107115 0.0472 BFGS: 3059 16:18:53 0.103671 0.0491 BFGS: 3060 16:18:53 0.100753 0.0503 BFGS: 3061 16:18:54 0.098202 0.0506 BFGS: 3062 16:18:54 0.095170 0.0518 BFGS: 3063 16:18:54 0.092614 0.0505 BFGS: 3064 16:18:54 0.090352 0.0478 BFGS: 3065 16:18:54 0.088415 0.0431 BFGS: 3066 16:18:54 0.086603 0.0428 BFGS: 3067 16:18:54 0.084825 0.0445 BFGS: 3068 16:18:54 0.082714 0.0495 BFGS: 3069 16:18:54 0.079672 0.0535 BFGS: 3070 16:18:55 0.075881 0.0526 BFGS: 3071 16:18:55 0.072579 0.0466 BFGS: 3072 16:18:55 0.070167 0.0469 BFGS: 3073 16:18:55 0.068845 0.0472 BFGS: 3074 16:18:55 0.066666 0.0446 BFGS: 3075 16:18:55 0.065198 0.0448 BFGS: 3076 16:18:55 0.063806 0.0461 BFGS: 3077 16:18:55 0.062388 0.0473 BFGS: 3078 16:18:56 0.060916 0.0480 BFGS: 3079 16:18:56 0.059378 0.0483 BFGS: 3080 16:18:56 0.057779 0.0484 BFGS: 3081 16:18:56 0.056176 0.0483 BFGS: 3082 16:18:56 0.054583 0.0480 BFGS: 3083 16:18:56 0.053000 0.0476 BFGS: 3084 16:18:56 0.051449 0.0471 BFGS: 3085 16:18:56 0.049964 0.0473 BFGS: 3086 16:18:57 0.048528 0.0477 BFGS: 3087 16:18:57 0.047133 0.0481 BFGS: 3088 16:18:57 0.045774 0.0485 BFGS: 3089 16:18:57 0.044448 0.0489 BFGS: 3090 16:18:57 0.043154 0.0492 BFGS: 3091 16:18:57 0.041889 0.0496 BFGS: 3092 16:18:57 0.040652 0.0499 BFGS: 3093 16:18:57 0.039446 0.0501 BFGS: 3094 16:18:58 0.038265 0.0503 BFGS: 3095 16:18:58 0.037110 0.0505 BFGS: 3096 16:18:58 0.035981 0.0505 BFGS: 3097 16:18:58 0.034876 0.0506 BFGS: 3098 16:18:58 0.033797 0.0505 BFGS: 3099 16:18:58 0.032743 0.0504 BFGS: 3100 16:18:58 0.031707 0.0502 BFGS: 3101 16:18:58 0.030689 0.0500 BFGS: 3102 16:18:59 0.029692 0.0497 BFGS: 3103 16:18:59 0.028711 0.0494 BFGS: 3104 16:18:59 0.027743 0.0490 BFGS: 3105 16:18:59 0.026779 0.0485 BFGS: 3106 16:18:59 0.025829 0.0480 BFGS: 3107 16:18:59 0.024976 0.0475 BFGS: 3108 16:18:59 0.023909 0.0459 BFGS: 3109 16:18:59 0.022715 0.0433 BFGS: 3110 16:18:59 0.021454 0.0400 BFGS: 3111 16:19:00 0.020169 0.0361 BFGS: 3112 16:19:00 0.018907 0.0321 BFGS: 3113 16:19:00 0.017687 0.0312 BFGS: 3114 16:19:00 0.016514 0.0304 BFGS: 3115 16:19:00 0.015383 0.0294 BFGS: 3116 16:19:00 0.014267 0.0282 BFGS: 3117 16:19:00 0.013212 0.0265 BFGS: 3118 16:19:00 0.012285 0.0247 BFGS: 3119 16:19:01 0.011418 0.0250 BFGS: 3120 16:19:01 0.010520 0.0268 BFGS: 3121 16:19:01 0.009534 0.0254 BFGS: 3122 16:19:01 0.008719 0.0233 BFGS: 3123 16:19:01 0.007703 0.0220 BFGS: 3124 16:19:01 0.007134 0.0200 BFGS: 3125 16:19:01 0.006701 0.0183 BFGS: 3126 16:19:01 0.006400 0.0159 BFGS: 3127 16:19:01 0.006166 0.0154 BFGS: 3128 16:19:02 0.005928 0.0150 BFGS: 3129 16:19:02 0.005655 0.0142 BFGS: 3130 16:19:02 0.005386 0.0131 BFGS: 3131 16:19:02 0.005117 0.0122 BFGS: 3132 16:19:02 0.004839 0.0113 BFGS: 3133 16:19:02 0.004557 0.0107 BFGS: 3134 16:19:02 0.004282 0.0103 BFGS: 3135 16:19:02 0.004019 0.0103 BFGS: 3136 16:19:03 0.003769 0.0102 BFGS: 3137 16:19:03 0.003533 0.0101 BFGS: 3138 16:19:03 0.003303 0.0102 BFGS: 3139 16:19:03 0.003082 0.0102 BFGS: 3140 16:19:03 0.002866 0.0103 BFGS: 3141 16:19:03 0.002655 0.0102 BFGS: 3142 16:19:03 0.002444 0.0101 BFGS: 3143 16:19:03 0.002238 0.0098 BFGS: 3144 16:19:04 0.002045 0.0108 BFGS: 3145 16:19:04 0.001866 0.0117 BFGS: 3146 16:19:04 0.001700 0.0125 BFGS: 3147 16:19:04 0.001549 0.0131 BFGS: 3148 16:19:04 0.001409 0.0134 BFGS: 3149 16:19:04 0.001269 0.0135 BFGS: 3150 16:19:04 0.001130 0.0132 BFGS: 3151 16:19:04 0.000989 0.0128 BFGS: 3152 16:19:05 0.000848 0.0120 BFGS: 3153 16:19:05 0.000707 0.0110 BFGS: 3154 16:19:05 0.000567 0.0096 BFGS: 3155 16:19:05 0.000434 0.0079 BFGS: 3156 16:19:05 0.000312 0.0058 BFGS: 3157 16:19:05 0.000230 0.0057 BFGS: 3158 16:19:05 0.000162 0.0045 BFGS: 3159 16:19:05 0.000126 0.0044 BFGS: 3160 16:19:06 0.000103 0.0037 BFGS: 3161 16:19:06 0.000059 0.0023 BFGS: 3162 16:19:06 0.000033 0.0018 BFGS: 3163 16:19:06 0.000016 0.0013 BFGS: 3164 16:19:06 0.000008 0.0011 BFGS: 3165 16:19:06 0.000003 0.0008 BFGS: 3166 16:19:06 0.000002 0.0004 BFGS: 3167 16:19:07 0.000001 0.0002 BFGS: 3168 16:19:07 0.000000 0.0002 BFGS: 3169 16:19:07 0.000000 0.0002 BFGS: 3170 16:19:07 0.000000 0.0001 BFGS: 3171 16:19:07 0.000000 0.0001 BFGS: 3172 16:19:07 0.000000 0.0001 BFGS: 3173 16:19:07 0.000000 0.0001 BFGS: 3174 16:19:07 0.000000 0.0000 BFGS: 3175 16:19:08 0.000000 0.0000 BFGS: 3176 16:19:08 0.000000 0.0000 BFGS: 3177 16:19:08 0.000000 0.0000 BFGS: 3178 16:19:08 0.000000 0.0000 BFGS: 3179 16:19:08 0.000000 0.0000 BFGS: 3180 16:19:08 -0.000000 0.0000 Minimization converged after 3180 steps. Maximum force component: 9.001430013233475e-11 eV/Angstrom Maximum stress component: 1.396789076111609e-13 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', 'Si', 'Si', 'Si', 'Si', '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 = [[1.00000000e+00 7.54315802e-01 2.50000000e-01] [5.00000000e-01 2.54315802e-01 2.50000000e-01] [1.00000000e+00 2.45684198e-01 7.50000000e-01] [5.00000000e-01 7.45684198e-01 7.50000000e-01] [4.69204608e-01 9.99771017e-01 8.87519528e-01] [5.30795392e-01 9.99771017e-01 6.12480472e-01] [9.69204608e-01 4.99771017e-01 8.87519528e-01] [3.07953924e-02 4.99771017e-01 6.12480472e-01] [5.30795392e-01 2.28983111e-04 1.12480472e-01] [4.69204608e-01 2.28983111e-04 3.87519528e-01] [3.07953924e-02 5.00228983e-01 1.12480472e-01] [9.69204608e-01 5.00228983e-01 3.87519528e-01] [3.54710675e-01 4.03147597e-03 3.44928312e-01] [6.45289325e-01 4.03147597e-03 1.55071688e-01] [8.54710675e-01 5.04031476e-01 3.44928312e-01] [1.45289325e-01 5.04031476e-01 1.55071688e-01] [6.45289325e-01 9.95968524e-01 6.55071688e-01] [3.54710675e-01 9.95968524e-01 8.44928312e-01] [1.45289325e-01 4.95968524e-01 6.55071688e-01] [8.54710675e-01 4.95968524e-01 8.44928312e-01] [9.40519146e-02 7.93797781e-01 8.79695171e-01] [9.05948085e-01 7.93797781e-01 6.20304829e-01] [5.94051915e-01 2.93797781e-01 8.79695171e-01] [4.05948085e-01 2.93797781e-01 6.20304829e-01] [9.05948085e-01 2.06202219e-01 1.20304829e-01] [9.40519146e-02 2.06202219e-01 3.79695171e-01] [4.05948085e-01 7.06202219e-01 1.20304829e-01] [5.94051915e-01 7.06202219e-01 3.79695171e-01] [2.19296886e-01 7.55947264e-01 3.86392616e-01] [7.80703114e-01 7.55947264e-01 1.13607384e-01] [7.19296886e-01 2.55947264e-01 3.86392616e-01] [2.80703114e-01 2.55947264e-01 1.13607384e-01] [7.80703114e-01 2.44052736e-01 6.13607384e-01] [2.19296886e-01 2.44052736e-01 8.86392616e-01] [2.80703114e-01 7.44052736e-01 6.13607384e-01] [7.19296886e-01 7.44052736e-01 8.86392616e-01] [5.74273709e-01 6.01313229e-01 1.48396899e-01] [4.25726291e-01 6.01313229e-01 3.51603101e-01] [7.42737088e-02 1.01313229e-01 1.48396899e-01] [9.25726291e-01 1.01313229e-01 3.51603101e-01] [4.25726291e-01 3.98686771e-01 8.51603101e-01] [5.74273709e-01 3.98686771e-01 6.48396899e-01] [9.25726291e-01 8.98686771e-01 8.51603101e-01] [7.42737088e-02 8.98686771e-01 6.48396899e-01] [6.35049731e-01 1.78263291e-01 5.86591120e-01] [3.64950269e-01 1.78263291e-01 9.13408880e-01] [1.35049731e-01 6.78263291e-01 5.86591120e-01] [8.64950269e-01 6.78263291e-01 9.13408880e-01] [3.64950269e-01 8.21736709e-01 4.13408880e-01] [6.35049731e-01 8.21736709e-01 8.65911195e-02] [8.64950269e-01 3.21736709e-01 4.13408880e-01] [1.35049731e-01 3.21736709e-01 8.65911195e-02] [7.92977668e-01 4.92563328e-01 6.18597292e-01] [2.07022332e-01 4.92563328e-01 8.81402708e-01] [2.92977668e-01 9.92563328e-01 6.18597292e-01] [7.07022332e-01 9.92563328e-01 8.81402708e-01] [2.07022332e-01 5.07436672e-01 3.81402708e-01] [7.92977668e-01 5.07436672e-01 1.18597292e-01] [7.07022332e-01 7.43667156e-03 3.81402708e-01] [2.92977668e-01 7.43667156e-03 1.18597292e-01] [3.08035161e-01 8.25491100e-01 1.79612735e-01] [6.91964839e-01 8.25491100e-01 3.20387265e-01] [8.08035161e-01 3.25491100e-01 1.79612735e-01] [1.91964839e-01 3.25491100e-01 3.20387265e-01] [6.91964839e-01 1.74508900e-01 8.20387265e-01] [3.08035161e-01 1.74508900e-01 6.79612735e-01] [1.91964839e-01 6.74508900e-01 8.20387265e-01] [8.08035161e-01 6.74508900e-01 6.79612735e-01] [7.78951337e-01 9.43602201e-01 1.42700659e-01] [2.21048663e-01 9.43602201e-01 3.57299341e-01] [2.78951337e-01 4.43602201e-01 1.42700659e-01] [7.21048663e-01 4.43602201e-01 3.57299341e-01] [2.21048663e-01 5.63977994e-02 8.57299341e-01] [7.78951337e-01 5.63977994e-02 6.42700659e-01] [7.21048663e-01 5.56397799e-01 8.57299341e-01] [2.78951337e-01 5.56397799e-01 6.42700659e-01] [8.21701712e-01 7.82180579e-01 3.68371953e-01] [1.78298288e-01 7.82180579e-01 1.31628047e-01] [3.21701712e-01 2.82180579e-01 3.68371953e-01] [6.78298288e-01 2.82180579e-01 1.31628047e-01] [1.78298288e-01 2.17819421e-01 6.31628047e-01] [8.21701712e-01 2.17819421e-01 8.68371953e-01] [6.78298288e-01 7.17819421e-01 6.31628047e-01] [3.21701712e-01 7.17819421e-01 8.68371953e-01] [5.96396589e-01 3.12674019e-01 3.77562218e-01] [4.03603411e-01 3.12674019e-01 1.22437782e-01] [9.63965887e-02 8.12674019e-01 3.77562218e-01] [9.03603411e-01 8.12674019e-01 1.22437782e-01] [4.03603411e-01 6.87325981e-01 6.22437782e-01] [5.96396589e-01 6.87325981e-01 8.77562218e-01] [9.03603411e-01 1.87325981e-01 6.22437782e-01] [9.63965887e-02 1.87325981e-01 8.77562218e-01] [1.93933634e-01 8.62434259e-01 7.24595349e-01] [8.06066366e-01 8.62434259e-01 7.75404651e-01] [6.93933634e-01 3.62434259e-01 7.24595349e-01] [3.06066366e-01 3.62434259e-01 7.75404651e-01] [8.06066366e-01 1.37565741e-01 2.75404651e-01] [1.93933634e-01 1.37565741e-01 2.24595349e-01] [3.06066366e-01 6.37565741e-01 2.75404651e-01] [6.93933634e-01 6.37565741e-01 2.24595349e-01] [5.59403957e-01 5.97050082e-01 6.22238995e-01] [4.40596043e-01 5.97050082e-01 8.77761005e-01] [5.94039569e-02 9.70500816e-02 6.22238995e-01] [9.40596043e-01 9.70500816e-02 8.77761005e-01] [4.40596043e-01 4.02949918e-01 3.77761005e-01] [5.59403957e-01 4.02949918e-01 1.22238995e-01] [9.40596043e-01 9.02949918e-01 3.77761005e-01] [5.94039569e-02 9.02949918e-01 1.22238995e-01] [4.81601515e-01 7.61932484e-01 3.96328151e-01] [5.18398485e-01 7.61932484e-01 1.03671849e-01] [9.81601515e-01 2.61932484e-01 3.96328151e-01] [1.83984848e-02 2.61932484e-01 1.03671849e-01] [5.18398485e-01 2.38067516e-01 6.03671849e-01] [4.81601515e-01 2.38067516e-01 8.96328151e-01] [1.83984848e-02 7.38067516e-01 6.03671849e-01] [9.81601515e-01 7.38067516e-01 8.96328151e-01] [6.72561992e-01 4.69895126e-01 1.10355060e-01] [3.27438008e-01 4.69895126e-01 3.89644940e-01] [1.72561992e-01 9.69895126e-01 1.10355060e-01] [8.27438008e-01 9.69895126e-01 3.89644940e-01] [3.27438008e-01 5.30104874e-01 8.89644940e-01] [6.72561992e-01 5.30104874e-01 6.10355060e-01] [8.27438008e-01 3.01048736e-02 8.89644940e-01] [1.72561992e-01 3.01048736e-02 6.10355060e-01] [5.46997209e-01 5.15832946e-01 8.95152870e-01] [4.53002791e-01 5.15832946e-01 6.04847130e-01] [4.69972086e-02 1.58329461e-02 8.95152870e-01] [9.53002791e-01 1.58329461e-02 6.04847130e-01] [4.53002791e-01 4.84167054e-01 1.04847130e-01] [5.46997209e-01 4.84167054e-01 3.95152870e-01] [9.53002791e-01 9.84167054e-01 1.04847130e-01] [4.69972086e-02 9.84167054e-01 3.95152870e-01] [2.59279179e-01 8.75033658e-01 9.41250220e-01] [7.40720821e-01 8.75033658e-01 5.58749780e-01] [7.59279179e-01 3.75033658e-01 9.41250220e-01] [2.40720821e-01 3.75033658e-01 5.58749780e-01] [7.40720821e-01 1.24966342e-01 5.87497801e-02] [2.59279179e-01 1.24966342e-01 4.41250220e-01] [2.40720821e-01 6.24966342e-01 5.87497801e-02] [7.59279179e-01 6.24966342e-01 4.41250220e-01] [5.91606679e-01 8.37225796e-01 5.91208111e-01] [4.08393321e-01 8.37225796e-01 9.08791889e-01] [9.16066786e-02 3.37225796e-01 5.91208111e-01] [9.08393321e-01 3.37225796e-01 9.08791889e-01] [4.08393321e-01 1.62774204e-01 4.08791889e-01] [5.91606679e-01 1.62774204e-01 9.12081112e-02] [9.08393321e-01 6.62774204e-01 4.08791889e-01] [9.16066786e-02 6.62774204e-01 9.12081112e-02] [5.67207651e-01 1.20208701e-01 3.90471318e-01] [4.32792349e-01 1.20208701e-01 1.09528682e-01] [6.72076506e-02 6.20208701e-01 3.90471318e-01] [9.32792349e-01 6.20208701e-01 1.09528682e-01] [4.32792349e-01 8.79791299e-01 6.09528682e-01] [5.67207651e-01 8.79791299e-01 8.90471318e-01] [9.32792349e-01 3.79791299e-01 6.09528682e-01] [6.72076506e-02 3.79791299e-01 8.90471318e-01] [5.67607326e-01 1.04959059e-01 8.29062630e-01] [4.32392674e-01 1.04959059e-01 6.70937370e-01] [6.76073259e-02 6.04959059e-01 8.29062630e-01] [9.32392674e-01 6.04959059e-01 6.70937370e-01] [4.32392674e-01 8.95040941e-01 1.70937370e-01] [5.67607326e-01 8.95040941e-01 3.29062630e-01] [9.32392674e-01 3.95040941e-01 1.70937370e-01] [6.76073259e-02 3.95040941e-01 3.29062630e-01]] cellpar = Cell([[47.04537212437679, 2.5389024117612872e-17, 2.073004407767761], [1.4634543006503048e-17, 29.16983895385666, -1.6674141783873925e-16], [2.1929959245221737, -1.0662247927419391e-16, 18.69283780711025]]) 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] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 3.09857336e-11 -3.06677921e-11 9.00143001e-11] [-3.09857336e-11 -3.06677921e-11 -9.00143001e-11] [ 3.09857336e-11 -3.06677921e-11 9.00143001e-11] [-3.09857336e-11 -3.06677921e-11 -9.00143001e-11] [-3.09857336e-11 3.06677921e-11 -9.00143001e-11] [ 3.09857336e-11 3.06677921e-11 9.00143001e-11] [-3.09857336e-11 3.06677921e-11 -9.00143001e-11] [ 3.09857336e-11 3.06677921e-11 9.00143001e-11] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-3.09857336e-11 -3.06677921e-11 -9.00143001e-11] [ 3.09857336e-11 -3.06677921e-11 9.00143001e-11] [-3.09857336e-11 -3.06677921e-11 -9.00143001e-11] [ 3.09857336e-11 -3.06677921e-11 9.00143001e-11] [ 3.09857336e-11 3.06677921e-11 9.00143001e-11] [-3.09857336e-11 3.06677921e-11 -9.00143001e-11] [ 3.09857336e-11 3.06677921e-11 9.00143001e-11] [-3.09857336e-11 3.06677921e-11 -9.00143001e-11]] stress = [-1.65512721e-14 -1.62133528e-14 -1.39678908e-13 2.80394449e-32 -4.80818427e-14 6.45671089e-33] energy per atom = -5.415722071342227e-18 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0