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 15:18:41 2769.119106 21.593414 BFGS: 1 15:18:42 2763.745947 21.556094 BFGS: 2 15:18:43 2758.749760 21.520054 BFGS: 3 15:18:43 2754.019478 21.485050 BFGS: 4 15:18:43 2749.485648 21.450714 BFGS: 5 15:18:43 2745.103666 21.417233 BFGS: 6 15:18:44 2740.842774 21.384351 BFGS: 7 15:18:44 2736.680840 21.351946 BFGS: 8 15:18:44 2732.601281 21.319977 BFGS: 9 15:18:45 2728.591293 21.288402 BFGS: 10 15:18:45 2724.640727 21.259098 BFGS: 11 15:18:45 2720.741269 21.229910 BFGS: 12 15:18:45 2716.885997 21.200775 BFGS: 13 15:18:46 2713.069021 21.171718 BFGS: 14 15:18:46 2709.285229 21.142738 BFGS: 15 15:18:46 2705.530112 21.113843 BFGS: 16 15:18:46 2701.799640 21.084993 BFGS: 17 15:18:47 2698.089999 21.056217 BFGS: 18 15:18:47 2694.398355 21.027461 BFGS: 19 15:18:47 2690.721602 20.998720 BFGS: 20 15:18:48 2687.056686 20.970035 BFGS: 21 15:18:48 2683.400635 20.941339 BFGS: 22 15:18:48 2679.750762 20.912735 BFGS: 23 15:18:48 2676.104143 20.884123 BFGS: 24 15:18:48 2672.458637 20.855583 BFGS: 25 15:18:48 2668.812720 20.826996 BFGS: 26 15:18:49 2665.165088 20.798357 BFGS: 27 15:18:49 2661.514910 20.769713 BFGS: 28 15:18:49 2657.861671 20.741067 BFGS: 29 15:18:49 2654.205999 20.712370 BFGS: 30 15:18:50 2650.549263 20.683622 BFGS: 31 15:18:50 2646.892245 20.654825 BFGS: 32 15:18:50 2643.235040 20.625981 BFGS: 33 15:18:50 2639.577702 20.597704 BFGS: 34 15:18:51 2635.920284 20.570094 BFGS: 35 15:18:51 2632.263008 20.542481 BFGS: 36 15:18:51 2628.606129 20.514861 BFGS: 37 15:18:52 2624.949704 20.487324 BFGS: 38 15:18:52 2621.293810 20.459810 BFGS: 39 15:18:52 2617.638525 20.432269 BFGS: 40 15:18:53 2613.983923 20.404704 BFGS: 41 15:18:53 2610.330073 20.377118 BFGS: 42 15:18:53 2606.677043 20.349512 BFGS: 43 15:18:53 2603.024892 20.321900 BFGS: 44 15:18:54 2599.373513 20.294290 BFGS: 45 15:18:54 2595.722784 20.266840 BFGS: 46 15:18:54 2592.072562 20.239835 BFGS: 47 15:18:54 2588.422274 20.213325 BFGS: 48 15:18:54 2584.771291 20.186939 BFGS: 49 15:18:55 2581.119227 20.160565 BFGS: 50 15:18:55 2577.465528 20.134250 BFGS: 51 15:18:55 2573.808847 20.108001 BFGS: 52 15:18:55 2570.145989 20.081825 BFGS: 53 15:18:55 2566.478194 20.055883 BFGS: 54 15:18:55 2562.805063 20.030703 BFGS: 55 15:18:56 2559.178913 20.003808 BFGS: 56 15:18:56 2555.546085 19.977044 BFGS: 57 15:18:56 2551.914294 19.950274 BFGS: 58 15:18:56 2548.282211 19.923504 BFGS: 59 15:18:56 2544.650368 19.896831 BFGS: 60 15:18:57 2541.018879 19.870248 BFGS: 61 15:18:57 2537.387507 19.843671 BFGS: 62 15:18:57 2533.756498 19.817095 BFGS: 63 15:18:57 2530.125954 19.790511 BFGS: 64 15:18:57 2526.495884 19.763912 BFGS: 65 15:18:57 2522.866374 19.737310 BFGS: 66 15:18:58 2519.237397 19.711054 BFGS: 67 15:18:58 2515.608168 19.684800 BFGS: 68 15:18:58 2511.978546 19.658538 BFGS: 69 15:18:58 2508.348797 19.632259 BFGS: 70 15:18:58 2504.719011 19.605963 BFGS: 71 15:18:58 2501.089305 19.579648 BFGS: 72 15:18:59 2497.459779 19.553313 BFGS: 73 15:18:59 2493.830548 19.527033 BFGS: 74 15:18:59 2490.203080 19.500928 BFGS: 75 15:18:59 2486.577910 19.474995 BFGS: 76 15:18:59 2482.953189 19.449208 BFGS: 77 15:19:00 2479.329626 19.423391 BFGS: 78 15:19:00 2475.707642 19.397541 BFGS: 79 15:19:00 2472.086563 19.371675 BFGS: 80 15:19:00 2468.466594 19.345793 BFGS: 81 15:19:01 2464.847723 19.319899 BFGS: 82 15:19:01 2461.230056 19.295696 BFGS: 83 15:19:01 2457.614484 19.274440 BFGS: 84 15:19:01 2453.999730 19.253168 BFGS: 85 15:19:02 2450.386141 19.231921 BFGS: 86 15:19:02 2446.773536 19.210659 BFGS: 87 15:19:02 2443.162179 19.189487 BFGS: 88 15:19:02 2439.552382 19.168509 BFGS: 89 15:19:03 2435.944577 19.147559 BFGS: 90 15:19:03 2432.338257 19.126625 BFGS: 91 15:19:03 2428.733514 19.105693 BFGS: 92 15:19:04 2425.130314 19.084761 BFGS: 93 15:19:04 2421.528689 19.063935 BFGS: 94 15:19:04 2417.929442 19.043236 BFGS: 95 15:19:04 2414.332096 19.022539 BFGS: 96 15:19:05 2410.736362 19.001832 BFGS: 97 15:19:05 2407.142433 18.981121 BFGS: 98 15:19:05 2403.550238 18.960542 BFGS: 99 15:19:05 2399.959737 18.940086 BFGS: 100 15:19:06 2396.369521 18.919582 BFGS: 101 15:19:06 2392.780678 18.899064 BFGS: 102 15:19:06 2389.192940 18.878526 BFGS: 103 15:19:06 2385.605912 18.858322 BFGS: 104 15:19:06 2382.019487 18.838451 BFGS: 105 15:19:07 2378.434150 18.818576 BFGS: 106 15:19:07 2374.849847 18.798676 BFGS: 107 15:19:07 2371.266540 18.778753 BFGS: 108 15:19:07 2367.684178 18.758966 BFGS: 109 15:19:08 2364.102218 18.739204 BFGS: 110 15:19:08 2360.519805 18.719378 BFGS: 111 15:19:08 2356.939809 18.699565 BFGS: 112 15:19:08 2353.360861 18.679713 BFGS: 113 15:19:08 2349.783243 18.659835 BFGS: 114 15:19:09 2346.206841 18.639931 BFGS: 115 15:19:09 2342.631577 18.620002 BFGS: 116 15:19:09 2339.057442 18.600048 BFGS: 117 15:19:10 2335.484234 18.580063 BFGS: 118 15:19:10 2331.911962 18.560051 BFGS: 119 15:19:10 2328.340587 18.540024 BFGS: 120 15:19:10 2324.770042 18.519988 BFGS: 121 15:19:11 2321.200139 18.499956 BFGS: 122 15:19:11 2317.631074 18.479908 BFGS: 123 15:19:11 2314.062971 18.460371 BFGS: 124 15:19:11 2310.496093 18.440927 BFGS: 125 15:19:11 2306.929856 18.421476 BFGS: 126 15:19:12 2303.364275 18.402017 BFGS: 127 15:19:12 2299.799321 18.382565 BFGS: 128 15:19:12 2296.235061 18.363120 BFGS: 129 15:19:12 2292.671445 18.343664 BFGS: 130 15:19:12 2289.108366 18.324191 BFGS: 131 15:19:12 2285.545820 18.304700 BFGS: 132 15:19:13 2281.983788 18.285335 BFGS: 133 15:19:13 2278.422799 18.266004 BFGS: 134 15:19:13 2274.862889 18.246648 BFGS: 135 15:19:13 2271.303603 18.227258 BFGS: 136 15:19:14 2267.744966 18.207837 BFGS: 137 15:19:14 2264.186930 18.188386 BFGS: 138 15:19:14 2260.629452 18.168906 BFGS: 139 15:19:15 2257.072493 18.149398 BFGS: 140 15:19:15 2253.516010 18.129860 BFGS: 141 15:19:15 2249.959964 18.110293 BFGS: 142 15:19:15 2246.404306 18.090764 BFGS: 143 15:19:16 2242.848615 18.071236 BFGS: 144 15:19:16 2239.293083 18.051756 BFGS: 145 15:19:16 2235.738091 18.032250 BFGS: 146 15:19:16 2232.183500 18.012712 BFGS: 147 15:19:17 2228.629265 17.993140 BFGS: 148 15:19:17 2225.075330 17.973565 BFGS: 149 15:19:17 2221.521619 17.953990 BFGS: 150 15:19:17 2217.967974 17.934365 BFGS: 151 15:19:18 2214.414227 17.914772 BFGS: 152 15:19:18 2210.860357 17.895239 BFGS: 153 15:19:18 2207.306398 17.875664 BFGS: 154 15:19:18 2203.752445 17.856046 BFGS: 155 15:19:19 2200.198500 17.836384 BFGS: 156 15:19:19 2196.644569 17.816675 BFGS: 157 15:19:19 2193.090662 17.796918 BFGS: 158 15:19:20 2189.536790 17.777111 BFGS: 159 15:19:20 2185.982964 17.757255 BFGS: 160 15:19:20 2182.429192 17.737462 BFGS: 161 15:19:20 2178.874876 17.717983 BFGS: 162 15:19:21 2175.318816 17.698411 BFGS: 163 15:19:21 2171.763022 17.678803 BFGS: 164 15:19:21 2168.207351 17.659196 BFGS: 165 15:19:22 2164.652177 17.639618 BFGS: 166 15:19:22 2161.097318 17.619961 BFGS: 167 15:19:23 2157.543155 17.600240 BFGS: 168 15:19:23 2153.989661 17.580456 BFGS: 169 15:19:23 2150.436766 17.560612 BFGS: 170 15:19:23 2146.880477 17.540635 BFGS: 171 15:19:24 2143.313735 17.520440 BFGS: 172 15:19:24 2139.731223 17.500295 BFGS: 173 15:19:24 2136.148336 17.480482 BFGS: 174 15:19:24 2132.575914 17.461180 BFGS: 175 15:19:24 2129.013306 17.442554 BFGS: 176 15:19:25 2125.456462 17.424762 BFGS: 177 15:19:25 2121.889636 17.407397 BFGS: 178 15:19:25 2118.293610 17.389344 BFGS: 179 15:19:25 2114.669381 17.371608 BFGS: 180 15:19:25 2111.024307 17.352382 BFGS: 181 15:19:25 2107.343065 17.333737 BFGS: 182 15:19:26 2103.626965 17.315670 BFGS: 183 15:19:26 2099.902069 17.297007 BFGS: 184 15:19:26 2096.131160 17.278834 BFGS: 185 15:19:26 2092.355137 17.260063 BFGS: 186 15:19:26 2088.526015 17.241590 BFGS: 187 15:19:26 2084.702989 17.222496 BFGS: 188 15:19:27 2080.816942 17.203751 BFGS: 189 15:19:27 2076.949614 17.184442 BFGS: 190 15:19:27 2073.013125 17.165367 BFGS: 191 15:19:27 2069.096587 17.146079 BFGS: 192 15:19:27 2065.102529 17.127137 BFGS: 193 15:19:28 2061.135008 17.107575 BFGS: 194 15:19:28 2057.082550 17.088150 BFGS: 195 15:19:28 2053.063048 17.068391 BFGS: 196 15:19:28 2048.955050 17.049043 BFGS: 197 15:19:28 2044.886464 17.029314 BFGS: 198 15:19:29 2040.741621 17.009535 BFGS: 199 15:19:29 2036.627777 16.989198 BFGS: 200 15:19:29 2032.435624 16.968753 BFGS: 201 15:19:29 2028.282500 16.947850 BFGS: 202 15:19:29 2024.043518 16.926855 BFGS: 203 15:19:29 2019.854636 16.905792 BFGS: 204 15:19:30 2015.568103 16.884781 BFGS: 205 15:19:30 2011.349426 16.863446 BFGS: 206 15:19:31 2007.012592 16.841856 BFGS: 207 15:19:31 2002.766598 16.819944 BFGS: 208 15:19:32 1998.371317 16.797789 BFGS: 209 15:19:32 1994.072975 16.775585 BFGS: 210 15:19:32 1989.629550 16.753026 BFGS: 211 15:19:33 1985.333405 16.730539 BFGS: 212 15:19:33 1980.854625 16.707579 BFGS: 213 15:19:34 1976.528830 16.684570 BFGS: 214 15:19:34 1972.003510 16.660763 BFGS: 215 15:19:34 1967.573834 16.637083 BFGS: 216 15:19:35 1962.967213 16.612602 BFGS: 217 15:19:35 1958.465314 16.588218 BFGS: 218 15:19:35 1953.814637 16.563049 BFGS: 219 15:19:36 1949.304452 16.538220 BFGS: 220 15:19:36 1944.626393 16.512413 BFGS: 221 15:19:36 1940.222793 16.487935 BFGS: 222 15:19:37 1935.716660 16.463006 BFGS: 223 15:19:38 1931.590633 16.440143 BFGS: 224 15:19:38 1927.678223 16.418036 BFGS: 225 15:19:38 1923.849829 16.396246 BFGS: 226 15:19:39 1920.093011 16.375282 BFGS: 227 15:19:39 1916.384532 16.354240 BFGS: 228 15:19:39 1912.710219 16.333093 BFGS: 229 15:19:40 1909.060421 16.311836 BFGS: 230 15:19:40 1905.429030 16.290484 BFGS: 231 15:19:41 1901.811240 16.269028 BFGS: 232 15:19:41 1898.204821 16.247472 BFGS: 233 15:19:42 1894.608881 16.225826 BFGS: 234 15:19:42 1891.022953 16.204099 BFGS: 235 15:19:42 1887.446782 16.182399 BFGS: 236 15:19:42 1883.880152 16.160858 BFGS: 237 15:19:43 1880.324872 16.139407 BFGS: 238 15:19:43 1876.780638 16.117913 BFGS: 239 15:19:43 1873.246118 16.096374 BFGS: 240 15:19:44 1869.721018 16.074789 BFGS: 241 15:19:44 1866.205249 16.053156 BFGS: 242 15:19:44 1862.698773 16.031474 BFGS: 243 15:19:45 1859.201567 16.009742 BFGS: 244 15:19:45 1855.713604 15.987955 BFGS: 245 15:19:45 1852.234830 15.966123 BFGS: 246 15:19:45 1848.766581 15.944256 BFGS: 247 15:19:45 1845.311129 15.922381 BFGS: 248 15:19:46 1841.868005 15.900481 BFGS: 249 15:19:46 1838.436234 15.878517 BFGS: 250 15:19:46 1835.013862 15.856496 BFGS: 251 15:19:47 1831.598761 15.834437 BFGS: 252 15:19:47 1828.190562 15.812650 BFGS: 253 15:19:47 1824.797104 15.790797 BFGS: 254 15:19:47 1821.412802 15.768848 BFGS: 255 15:19:47 1818.035737 15.746804 BFGS: 256 15:19:48 1814.665053 15.724802 BFGS: 257 15:19:48 1811.301130 15.702694 BFGS: 258 15:19:48 1807.943119 15.680474 BFGS: 259 15:19:49 1804.590314 15.658137 BFGS: 260 15:19:49 1801.242070 15.635680 BFGS: 261 15:19:49 1797.897770 15.613098 BFGS: 262 15:19:49 1794.556810 15.590388 BFGS: 263 15:19:49 1791.218569 15.567655 BFGS: 264 15:19:50 1787.882232 15.544821 BFGS: 265 15:19:50 1784.547441 15.522034 BFGS: 266 15:19:50 1781.214687 15.499143 BFGS: 267 15:19:50 1777.882860 15.476106 BFGS: 268 15:19:50 1774.550726 15.452920 BFGS: 269 15:19:51 1771.217204 15.429663 BFGS: 270 15:19:51 1767.881516 15.406440 BFGS: 271 15:19:51 1764.541382 15.383065 BFGS: 272 15:19:51 1761.195483 15.359532 BFGS: 273 15:19:52 1757.843339 15.335866 BFGS: 274 15:19:52 1754.484361 15.312068 BFGS: 275 15:19:52 1751.117954 15.288092 BFGS: 276 15:19:52 1747.743649 15.263930 BFGS: 277 15:19:53 1744.361015 15.239577 BFGS: 278 15:19:53 1740.969661 15.215027 BFGS: 279 15:19:53 1737.569232 15.190272 BFGS: 280 15:19:53 1734.159422 15.165309 BFGS: 281 15:19:54 1730.739921 15.140211 BFGS: 282 15:19:54 1727.313055 15.114965 BFGS: 283 15:19:54 1723.881380 15.089572 BFGS: 284 15:19:55 1720.443965 15.064087 BFGS: 285 15:19:55 1716.999437 15.038542 BFGS: 286 15:19:55 1713.547846 15.012813 BFGS: 287 15:19:56 1710.091317 14.986912 BFGS: 288 15:19:56 1706.629792 14.960854 BFGS: 289 15:19:56 1703.162800 14.934613 BFGS: 290 15:19:56 1699.690179 14.908214 BFGS: 291 15:19:57 1696.213086 14.881630 BFGS: 292 15:19:57 1692.733130 14.855016 BFGS: 293 15:19:57 1689.250218 14.828521 BFGS: 294 15:19:57 1685.763229 14.801867 BFGS: 295 15:19:57 1682.273863 14.775259 BFGS: 296 15:19:58 1678.780563 14.749049 BFGS: 297 15:19:58 1675.279323 14.722642 BFGS: 298 15:19:58 1671.773734 14.696069 BFGS: 299 15:19:58 1668.266474 14.669351 BFGS: 300 15:19:59 1664.759577 14.643025 BFGS: 301 15:19:59 1661.251510 14.616589 BFGS: 302 15:19:59 1657.744153 14.590025 BFGS: 303 15:20:00 1654.239472 14.563350 BFGS: 304 15:20:00 1650.739328 14.536579 BFGS: 305 15:20:00 1647.245473 14.509727 BFGS: 306 15:20:00 1643.759522 14.482884 BFGS: 307 15:20:01 1640.282814 14.456116 BFGS: 308 15:20:01 1636.816617 14.429314 BFGS: 309 15:20:01 1633.362155 14.403078 BFGS: 310 15:20:02 1629.915307 14.377324 BFGS: 311 15:20:02 1626.469654 14.351470 BFGS: 312 15:20:02 1623.031372 14.325572 BFGS: 313 15:20:02 1619.603044 14.299793 BFGS: 314 15:20:03 1616.185841 14.274414 BFGS: 315 15:20:03 1612.783407 14.249088 BFGS: 316 15:20:03 1609.393864 14.223803 BFGS: 317 15:20:03 1606.016664 14.198569 BFGS: 318 15:20:04 1602.652805 14.173400 BFGS: 319 15:20:04 1599.304435 14.148304 BFGS: 320 15:20:04 1595.973479 14.123924 BFGS: 321 15:20:05 1592.659924 14.100165 BFGS: 322 15:20:05 1589.363502 14.076525 BFGS: 323 15:20:05 1586.086402 14.052972 BFGS: 324 15:20:05 1582.829817 14.029510 BFGS: 325 15:20:06 1579.594164 14.006167 BFGS: 326 15:20:06 1576.374669 13.982908 BFGS: 327 15:20:06 1573.170607 13.959742 BFGS: 328 15:20:07 1569.978803 13.936586 BFGS: 329 15:20:07 1566.804334 13.913499 BFGS: 330 15:20:07 1563.648935 13.890981 BFGS: 331 15:20:07 1560.512874 13.868532 BFGS: 332 15:20:08 1557.396561 13.846183 BFGS: 333 15:20:08 1554.299426 13.823910 BFGS: 334 15:20:08 1551.221924 13.801716 BFGS: 335 15:20:08 1548.164127 13.779599 BFGS: 336 15:20:09 1545.125942 13.757916 BFGS: 337 15:20:09 1542.105740 13.736533 BFGS: 338 15:20:09 1539.103611 13.715512 BFGS: 339 15:20:09 1536.122974 13.695105 BFGS: 340 15:20:09 1533.171646 13.674832 BFGS: 341 15:20:10 1530.246340 13.654664 BFGS: 342 15:20:10 1527.345594 13.634585 BFGS: 343 15:20:10 1524.468624 13.614586 BFGS: 344 15:20:10 1521.614810 13.594736 BFGS: 345 15:20:11 1518.783494 13.575090 BFGS: 346 15:20:11 1515.971908 13.555489 BFGS: 347 15:20:11 1513.180624 13.535928 BFGS: 348 15:20:11 1510.409643 13.516402 BFGS: 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4.907415 0.326651 BFGS: 2870 15:26:18 4.877729 0.330606 BFGS: 2871 15:26:18 4.848689 0.334416 BFGS: 2872 15:26:18 4.820254 0.338080 BFGS: 2873 15:26:18 4.792390 0.341595 BFGS: 2874 15:26:18 4.765063 0.344959 BFGS: 2875 15:26:19 4.738243 0.348168 BFGS: 2876 15:26:19 4.711902 0.351223 BFGS: 2877 15:26:19 4.686058 0.354129 BFGS: 2878 15:26:19 4.660723 0.356897 BFGS: 2879 15:26:19 4.635838 0.359565 BFGS: 2880 15:26:19 4.610853 0.362343 BFGS: 2881 15:26:19 4.586010 0.365105 BFGS: 2882 15:26:19 4.561446 0.367789 BFGS: 2883 15:26:19 4.537228 0.370287 BFGS: 2884 15:26:19 4.512838 0.372413 BFGS: 2885 15:26:19 4.488361 0.374181 BFGS: 2886 15:26:19 4.463887 0.375599 BFGS: 2887 15:26:20 4.439584 0.376648 BFGS: 2888 15:26:20 4.415518 0.377371 BFGS: 2889 15:26:20 4.391715 0.377933 BFGS: 2890 15:26:20 4.368183 0.379260 BFGS: 2891 15:26:20 4.344991 0.380327 BFGS: 2892 15:26:20 4.322125 0.381147 BFGS: 2893 15:26:20 4.299570 0.381729 BFGS: 2894 15:26:20 4.277311 0.382083 BFGS: 2895 15:26:20 4.255336 0.382218 BFGS: 2896 15:26:20 4.233629 0.382141 BFGS: 2897 15:26:20 4.212177 0.381860 BFGS: 2898 15:26:20 4.190967 0.381381 BFGS: 2899 15:26:20 4.169987 0.380712 BFGS: 2900 15:26:20 4.149223 0.379857 BFGS: 2901 15:26:20 4.128665 0.378823 BFGS: 2902 15:26:20 4.108290 0.377615 BFGS: 2903 15:26:20 4.088138 0.376156 BFGS: 2904 15:26:21 4.068170 0.374447 BFGS: 2905 15:26:21 4.048467 0.372561 BFGS: 2906 15:26:21 4.028953 0.370516 BFGS: 2907 15:26:21 4.009552 0.368311 BFGS: 2908 15:26:21 3.990296 0.365970 BFGS: 2909 15:26:21 3.971160 0.363496 BFGS: 2910 15:26:21 3.952092 0.360884 BFGS: 2911 15:26:21 3.933071 0.358121 BFGS: 2912 15:26:21 3.914342 0.355228 BFGS: 2913 15:26:21 3.895914 0.352223 BFGS: 2914 15:26:21 3.877620 0.349107 BFGS: 2915 15:26:21 3.859370 0.345879 BFGS: 2916 15:26:21 3.841110 0.342541 BFGS: 2917 15:26:21 3.822812 0.339097 BFGS: 2918 15:26:21 3.804465 0.335549 BFGS: 2919 15:26:21 3.786065 0.331905 BFGS: 2920 15:26:22 3.767639 0.328167 BFGS: 2921 15:26:22 3.749194 0.324344 BFGS: 2922 15:26:22 3.730731 0.320448 BFGS: 2923 15:26:22 3.712252 0.316488 BFGS: 2924 15:26:22 3.693760 0.312473 BFGS: 2925 15:26:22 3.675258 0.308409 BFGS: 2926 15:26:22 3.656746 0.304304 BFGS: 2927 15:26:22 3.638231 0.300168 BFGS: 2928 15:26:22 3.619901 0.296125 BFGS: 2929 15:26:22 3.601755 0.292174 BFGS: 2930 15:26:22 3.583817 0.288306 BFGS: 2931 15:26:22 3.566077 0.284523 BFGS: 2932 15:26:22 3.548516 0.280825 BFGS: 2933 15:26:22 3.531112 0.277212 BFGS: 2934 15:26:22 3.513820 0.273683 BFGS: 2935 15:26:22 3.496542 0.270251 BFGS: 2936 15:26:22 3.479280 0.267920 BFGS: 2937 15:26:22 3.462024 0.270082 BFGS: 2938 15:26:23 3.444832 0.272266 BFGS: 2939 15:26:23 3.427678 0.274681 BFGS: 2940 15:26:23 3.410401 0.277243 BFGS: 2941 15:26:23 3.392954 0.279916 BFGS: 2942 15:26:23 3.375751 0.282681 BFGS: 2943 15:26:23 3.358722 0.285457 BFGS: 2944 15:26:23 3.341774 0.288188 BFGS: 2945 15:26:23 3.324835 0.290840 BFGS: 2946 15:26:23 3.307925 0.293275 BFGS: 2947 15:26:23 3.291280 0.295410 BFGS: 2948 15:26:23 3.274218 0.296902 BFGS: 2949 15:26:23 3.256858 0.297942 BFGS: 2950 15:26:23 3.239278 0.298627 BFGS: 2951 15:26:23 3.221480 0.299020 BFGS: 2952 15:26:23 3.203467 0.299153 BFGS: 2953 15:26:23 3.185236 0.299037 BFGS: 2954 15:26:23 3.166772 0.298676 BFGS: 2955 15:26:23 3.148131 0.298053 BFGS: 2956 15:26:23 3.129369 0.297162 BFGS: 2957 15:26:24 3.110588 0.292932 BFGS: 2958 15:26:24 3.091157 0.288395 BFGS: 2959 15:26:24 3.071327 0.283794 BFGS: 2960 15:26:24 3.051150 0.279152 BFGS: 2961 15:26:24 3.030656 0.274478 BFGS: 2962 15:26:24 3.009867 0.269771 BFGS: 2963 15:26:24 2.988796 0.265027 BFGS: 2964 15:26:24 2.967453 0.260241 BFGS: 2965 15:26:24 2.945845 0.255403 BFGS: 2966 15:26:24 2.923972 0.250507 BFGS: 2967 15:26:24 2.901832 0.245547 BFGS: 2968 15:26:24 2.879418 0.240522 BFGS: 2969 15:26:24 2.856699 0.235434 BFGS: 2970 15:26:24 2.833638 0.233437 BFGS: 2971 15:26:24 2.810188 0.233359 BFGS: 2972 15:26:24 2.786310 0.232995 BFGS: 2973 15:26:24 2.761962 0.232283 BFGS: 2974 15:26:25 2.737099 0.231154 BFGS: 2975 15:26:25 2.711766 0.229541 BFGS: 2976 15:26:25 2.685501 0.227345 BFGS: 2977 15:26:25 2.658596 0.225173 BFGS: 2978 15:26:25 2.630922 0.227886 BFGS: 2979 15:26:25 2.602382 0.230181 BFGS: 2980 15:26:25 2.574401 0.231726 BFGS: 2981 15:26:25 2.547877 0.232495 BFGS: 2982 15:26:25 2.521792 0.232534 BFGS: 2983 15:26:25 2.494833 0.231738 BFGS: 2984 15:26:25 2.467154 0.229879 BFGS: 2985 15:26:25 2.438375 0.227138 BFGS: 2986 15:26:25 2.408966 0.223530 BFGS: 2987 15:26:25 2.380101 0.219157 BFGS: 2988 15:26:25 2.352919 0.215051 BFGS: 2989 15:26:25 2.327301 0.218802 BFGS: 2990 15:26:25 2.303187 0.223499 BFGS: 2991 15:26:25 2.280552 0.230171 BFGS: 2992 15:26:26 2.259139 0.235989 BFGS: 2993 15:26:26 2.238347 0.241157 BFGS: 2994 15:26:26 2.218318 0.245590 BFGS: 2995 15:26:26 2.199091 0.249459 BFGS: 2996 15:26:26 2.180612 0.252808 BFGS: 2997 15:26:26 2.162789 0.255730 BFGS: 2998 15:26:26 2.145502 0.258278 BFGS: 2999 15:26:26 2.128649 0.260448 BFGS: 3000 15:26:26 2.111827 0.262027 BFGS: 3001 15:26:26 2.095175 0.263190 BFGS: 3002 15:26:26 2.078691 0.263984 BFGS: 3003 15:26:26 2.062340 0.264444 BFGS: 3004 15:26:26 2.046079 0.264592 BFGS: 3005 15:26:26 2.029864 0.264441 BFGS: 3006 15:26:26 2.013657 0.263998 BFGS: 3007 15:26:26 1.997427 0.263267 BFGS: 3008 15:26:26 1.981147 0.262247 BFGS: 3009 15:26:26 1.964800 0.260938 BFGS: 3010 15:26:27 1.948373 0.259339 BFGS: 3011 15:26:27 1.931859 0.257446 BFGS: 3012 15:26:27 1.915256 0.255260 BFGS: 3013 15:26:27 1.898430 0.252745 BFGS: 3014 15:26:27 1.881404 0.249905 BFGS: 3015 15:26:27 1.864226 0.246746 BFGS: 3016 15:26:27 1.846936 0.243276 BFGS: 3017 15:26:27 1.829612 0.239502 BFGS: 3018 15:26:27 1.812276 0.235431 BFGS: 3019 15:26:27 1.794972 0.231056 BFGS: 3020 15:26:27 1.777925 0.226418 BFGS: 3021 15:26:27 1.761192 0.221495 BFGS: 3022 15:26:27 1.744829 0.216318 BFGS: 3023 15:26:27 1.728778 0.210924 BFGS: 3024 15:26:27 1.712995 0.212054 BFGS: 3025 15:26:27 1.697503 0.213415 BFGS: 3026 15:26:27 1.682489 0.214530 BFGS: 3027 15:26:27 1.667959 0.215396 BFGS: 3028 15:26:27 1.653757 0.216064 BFGS: 3029 15:26:28 1.639826 0.216557 BFGS: 3030 15:26:28 1.626131 0.216890 BFGS: 3031 15:26:28 1.612636 0.217074 BFGS: 3032 15:26:28 1.599342 0.217109 BFGS: 3033 15:26:28 1.586243 0.217003 BFGS: 3034 15:26:28 1.573319 0.216765 BFGS: 3035 15:26:28 1.560561 0.216400 BFGS: 3036 15:26:28 1.547961 0.215913 BFGS: 3037 15:26:28 1.535516 0.215304 BFGS: 3038 15:26:28 1.523221 0.214578 BFGS: 3039 15:26:28 1.511206 0.213734 BFGS: 3040 15:26:28 1.499284 0.212612 BFGS: 3041 15:26:28 1.487577 0.211203 BFGS: 3042 15:26:28 1.476188 0.209555 BFGS: 3043 15:26:28 1.465105 0.207691 BFGS: 3044 15:26:28 1.454230 0.205581 BFGS: 3045 15:26:28 1.442815 0.203037 BFGS: 3046 15:26:28 1.431269 0.200090 BFGS: 3047 15:26:29 1.419935 0.196770 BFGS: 3048 15:26:29 1.406093 0.192345 BFGS: 3049 15:26:29 1.390771 0.186777 BFGS: 3050 15:26:29 1.375417 0.188221 BFGS: 3051 15:26:29 1.360437 0.190873 BFGS: 3052 15:26:29 1.345892 0.193363 BFGS: 3053 15:26:29 1.332029 0.195403 BFGS: 3054 15:26:29 1.318598 0.196716 BFGS: 3055 15:26:29 1.305271 0.196909 BFGS: 3056 15:26:29 1.292186 0.194969 BFGS: 3057 15:26:29 1.276947 0.189229 BFGS: 3058 15:26:29 1.262712 0.181633 BFGS: 3059 15:26:29 1.243860 0.182483 BFGS: 3060 15:26:29 1.229565 0.179468 BFGS: 3061 15:26:29 1.218017 0.173211 BFGS: 3062 15:26:29 1.206794 0.171806 BFGS: 3063 15:26:29 1.199060 0.173364 BFGS: 3064 15:26:29 1.192330 0.174453 BFGS: 3065 15:26:29 1.186132 0.175244 BFGS: 3066 15:26:30 1.180220 0.174162 BFGS: 3067 15:26:30 1.174332 0.173051 BFGS: 3068 15:26:30 1.168540 0.171940 BFGS: 3069 15:26:30 1.162846 0.170841 BFGS: 3070 15:26:30 1.157181 0.169760 BFGS: 3071 15:26:30 1.151506 0.168704 BFGS: 3072 15:26:30 1.145795 0.167681 BFGS: 3073 15:26:30 1.140027 0.166697 BFGS: 3074 15:26:30 1.134178 0.165756 BFGS: 3075 15:26:30 1.128390 0.164872 BFGS: 3076 15:26:30 1.122606 0.164036 BFGS: 3077 15:26:30 1.116806 0.163242 BFGS: 3078 15:26:30 1.110984 0.162485 BFGS: 3079 15:26:30 1.105164 0.161753 BFGS: 3080 15:26:30 1.099364 0.161037 BFGS: 3081 15:26:30 1.093566 0.160328 BFGS: 3082 15:26:31 1.087763 0.159621 BFGS: 3083 15:26:31 1.081956 0.158909 BFGS: 3084 15:26:31 1.076143 0.158188 BFGS: 3085 15:26:31 1.070348 0.155455 BFGS: 3086 15:26:31 1.064570 0.152742 BFGS: 3087 15:26:31 1.058854 0.150024 BFGS: 3088 15:26:31 1.053201 0.148360 BFGS: 3089 15:26:31 1.047667 0.147290 BFGS: 3090 15:26:31 1.042212 0.146279 BFGS: 3091 15:26:31 1.036804 0.149046 BFGS: 3092 15:26:31 1.031418 0.152055 BFGS: 3093 15:26:31 1.026034 0.155055 BFGS: 3094 15:26:31 1.020641 0.158022 BFGS: 3095 15:26:31 1.015237 0.160928 BFGS: 3096 15:26:31 1.009830 0.163744 BFGS: 3097 15:26:32 1.004431 0.166446 BFGS: 3098 15:26:32 0.999054 0.169002 BFGS: 3099 15:26:32 0.993725 0.171378 BFGS: 3100 15:26:32 0.988490 0.173545 BFGS: 3101 15:26:32 0.983367 0.175500 BFGS: 3102 15:26:32 0.978346 0.177260 BFGS: 3103 15:26:32 0.973414 0.178844 BFGS: 3104 15:26:32 0.968556 0.180265 BFGS: 3105 15:26:32 0.963759 0.181537 BFGS: 3106 15:26:32 0.959012 0.182669 BFGS: 3107 15:26:32 0.954304 0.183671 BFGS: 3108 15:26:32 0.949626 0.184551 BFGS: 3109 15:26:32 0.944968 0.185316 BFGS: 3110 15:26:33 0.940323 0.185971 BFGS: 3111 15:26:33 0.935681 0.186521 BFGS: 3112 15:26:33 0.931071 0.187044 BFGS: 3113 15:26:33 0.926504 0.187565 BFGS: 3114 15:26:33 0.921951 0.188046 BFGS: 3115 15:26:33 0.917400 0.188476 BFGS: 3116 15:26:33 0.912839 0.188847 BFGS: 3117 15:26:33 0.908260 0.189155 BFGS: 3118 15:26:33 0.903651 0.189395 BFGS: 3119 15:26:33 0.899002 0.189560 BFGS: 3120 15:26:33 0.894301 0.189643 BFGS: 3121 15:26:34 0.889535 0.189637 BFGS: 3122 15:26:34 0.884730 0.189595 BFGS: 3123 15:26:34 0.879887 0.189510 BFGS: 3124 15:26:34 0.875004 0.189349 BFGS: 3125 15:26:34 0.869929 0.189017 BFGS: 3126 15:26:34 0.864761 0.188393 BFGS: 3127 15:26:34 0.859668 0.187423 BFGS: 3128 15:26:34 0.854747 0.186485 BFGS: 3129 15:26:34 0.849931 0.185561 BFGS: 3130 15:26:34 0.845196 0.184646 BFGS: 3131 15:26:34 0.840531 0.183737 BFGS: 3132 15:26:35 0.835933 0.182822 BFGS: 3133 15:26:35 0.831385 0.181844 BFGS: 3134 15:26:35 0.826880 0.180845 BFGS: 3135 15:26:35 0.822420 0.179781 BFGS: 3136 15:26:35 0.817989 0.178640 BFGS: 3137 15:26:35 0.813648 0.177511 BFGS: 3138 15:26:35 0.809265 0.176243 BFGS: 3139 15:26:35 0.804821 0.174926 BFGS: 3140 15:26:35 0.800347 0.173605 BFGS: 3141 15:26:35 0.795863 0.172283 BFGS: 3142 15:26:35 0.791373 0.170931 BFGS: 3143 15:26:35 0.786882 0.169466 BFGS: 3144 15:26:35 0.782429 0.168005 BFGS: 3145 15:26:36 0.778003 0.166542 BFGS: 3146 15:26:36 0.773595 0.165074 BFGS: 3147 15:26:36 0.769198 0.163595 BFGS: 3148 15:26:36 0.764807 0.162101 BFGS: 3149 15:26:36 0.760419 0.160588 BFGS: 3150 15:26:36 0.756070 0.159033 BFGS: 3151 15:26:36 0.751722 0.157413 BFGS: 3152 15:26:36 0.747355 0.155725 BFGS: 3153 15:26:36 0.742965 0.153975 BFGS: 3154 15:26:36 0.738557 0.152170 BFGS: 3155 15:26:36 0.734137 0.150322 BFGS: 3156 15:26:36 0.729711 0.148441 BFGS: 3157 15:26:37 0.725288 0.146535 BFGS: 3158 15:26:37 0.720872 0.144615 BFGS: 3159 15:26:37 0.716470 0.142690 BFGS: 3160 15:26:37 0.712088 0.140767 BFGS: 3161 15:26:37 0.707693 0.138865 BFGS: 3162 15:26:37 0.703302 0.136956 BFGS: 3163 15:26:37 0.698920 0.135038 BFGS: 3164 15:26:37 0.694553 0.133115 BFGS: 3165 15:26:37 0.690237 0.131218 BFGS: 3166 15:26:37 0.685978 0.129364 BFGS: 3167 15:26:37 0.681778 0.127559 BFGS: 3168 15:26:37 0.677631 0.125799 BFGS: 3169 15:26:37 0.673525 0.124079 BFGS: 3170 15:26:37 0.669455 0.122396 BFGS: 3171 15:26:38 0.665410 0.120751 BFGS: 3172 15:26:38 0.661382 0.119143 BFGS: 3173 15:26:38 0.657359 0.117571 BFGS: 3174 15:26:38 0.653327 0.116693 BFGS: 3175 15:26:38 0.649264 0.116099 BFGS: 3176 15:26:38 0.645136 0.115256 BFGS: 3177 15:26:38 0.640880 0.114124 BFGS: 3178 15:26:38 0.636381 0.112700 BFGS: 3179 15:26:38 0.631496 0.111048 BFGS: 3180 15:26:38 0.626313 0.109175 BFGS: 3181 15:26:38 0.620842 0.107116 BFGS: 3182 15:26:38 0.615196 0.104900 BFGS: 3183 15:26:38 0.609357 0.102640 BFGS: 3184 15:26:38 0.603430 0.100370 BFGS: 3185 15:26:39 0.597541 0.098209 BFGS: 3186 15:26:39 0.591700 0.096137 BFGS: 3187 15:26:39 0.586172 0.094065 BFGS: 3188 15:26:39 0.580809 0.093466 BFGS: 3189 15:26:39 0.575546 0.093910 BFGS: 3190 15:26:39 0.570357 0.094405 BFGS: 3191 15:26:39 0.565233 0.094931 BFGS: 3192 15:26:39 0.560171 0.095473 BFGS: 3193 15:26:39 0.555172 0.096020 BFGS: 3194 15:26:39 0.550235 0.096563 BFGS: 3195 15:26:39 0.545358 0.097097 BFGS: 3196 15:26:39 0.540541 0.097618 BFGS: 3197 15:26:39 0.535778 0.098123 BFGS: 3198 15:26:39 0.531068 0.098609 BFGS: 3199 15:26:39 0.526407 0.099073 BFGS: 3200 15:26:39 0.521790 0.099515 BFGS: 3201 15:26:40 0.517216 0.099932 BFGS: 3202 15:26:40 0.512680 0.100323 BFGS: 3203 15:26:40 0.508189 0.100687 BFGS: 3204 15:26:40 0.503695 0.100903 BFGS: 3205 15:26:40 0.499226 0.100949 BFGS: 3206 15:26:40 0.494711 0.100890 BFGS: 3207 15:26:40 0.490172 0.100484 BFGS: 3208 15:26:40 0.485710 0.100015 BFGS: 3209 15:26:40 0.481353 0.099543 BFGS: 3210 15:26:40 0.477102 0.099052 BFGS: 3211 15:26:40 0.472955 0.098555 BFGS: 3212 15:26:40 0.468916 0.098058 BFGS: 3213 15:26:40 0.464974 0.097565 BFGS: 3214 15:26:40 0.461119 0.097077 BFGS: 3215 15:26:40 0.457343 0.096595 BFGS: 3216 15:26:41 0.453639 0.096114 BFGS: 3217 15:26:41 0.450000 0.095634 BFGS: 3218 15:26:41 0.446419 0.095152 BFGS: 3219 15:26:41 0.442892 0.094666 BFGS: 3220 15:26:41 0.439414 0.094173 BFGS: 3221 15:26:41 0.435982 0.093417 BFGS: 3222 15:26:41 0.432630 0.093894 BFGS: 3223 15:26:41 0.429379 0.094481 BFGS: 3224 15:26:41 0.426204 0.094999 BFGS: 3225 15:26:41 0.423092 0.095458 BFGS: 3226 15:26:41 0.420039 0.095860 BFGS: 3227 15:26:41 0.417044 0.096209 BFGS: 3228 15:26:41 0.414099 0.096510 BFGS: 3229 15:26:41 0.411215 0.096774 BFGS: 3230 15:26:41 0.408383 0.096990 BFGS: 3231 15:26:41 0.405596 0.097154 BFGS: 3232 15:26:42 0.402852 0.097265 BFGS: 3233 15:26:42 0.400147 0.097324 BFGS: 3234 15:26:42 0.397477 0.097331 BFGS: 3235 15:26:42 0.394840 0.097287 BFGS: 3236 15:26:42 0.392238 0.097194 BFGS: 3237 15:26:42 0.389677 0.097052 BFGS: 3238 15:26:42 0.387153 0.096864 BFGS: 3239 15:26:42 0.384667 0.096644 BFGS: 3240 15:26:42 0.382212 0.096398 BFGS: 3241 15:26:42 0.379782 0.096131 BFGS: 3242 15:26:42 0.377375 0.095847 BFGS: 3243 15:26:42 0.374986 0.095548 BFGS: 3244 15:26:42 0.372614 0.095239 BFGS: 3245 15:26:42 0.370258 0.094921 BFGS: 3246 15:26:42 0.367915 0.094595 BFGS: 3247 15:26:42 0.365584 0.094266 BFGS: 3248 15:26:43 0.363264 0.093933 BFGS: 3249 15:26:43 0.360954 0.093600 BFGS: 3250 15:26:43 0.358651 0.093269 BFGS: 3251 15:26:43 0.356354 0.092941 BFGS: 3252 15:26:43 0.354063 0.092619 BFGS: 3253 15:26:43 0.351775 0.092306 BFGS: 3254 15:26:43 0.349489 0.092002 BFGS: 3255 15:26:43 0.347203 0.091712 BFGS: 3256 15:26:43 0.344915 0.091436 BFGS: 3257 15:26:43 0.342622 0.091178 BFGS: 3258 15:26:44 0.340326 0.090960 BFGS: 3259 15:26:44 0.338028 0.090781 BFGS: 3260 15:26:44 0.335706 0.090610 BFGS: 3261 15:26:44 0.333397 0.090488 BFGS: 3262 15:26:44 0.331033 0.090293 BFGS: 3263 15:26:44 0.328614 0.090007 BFGS: 3264 15:26:45 0.326145 0.089621 BFGS: 3265 15:26:45 0.323631 0.089129 BFGS: 3266 15:26:45 0.321081 0.088529 BFGS: 3267 15:26:45 0.318504 0.087816 BFGS: 3268 15:26:45 0.315920 0.087000 BFGS: 3269 15:26:45 0.313375 0.086107 BFGS: 3270 15:26:45 0.310851 0.085121 BFGS: 3271 15:26:46 0.308341 0.084045 BFGS: 3272 15:26:46 0.305841 0.082882 BFGS: 3273 15:26:46 0.303351 0.081637 BFGS: 3274 15:26:46 0.300870 0.080315 BFGS: 3275 15:26:46 0.298399 0.078924 BFGS: 3276 15:26:46 0.295936 0.077468 BFGS: 3277 15:26:46 0.293481 0.075954 BFGS: 3278 15:26:47 0.291033 0.074389 BFGS: 3279 15:26:47 0.288593 0.072779 BFGS: 3280 15:26:47 0.286158 0.071130 BFGS: 3281 15:26:47 0.283727 0.069449 BFGS: 3282 15:26:47 0.281305 0.067745 BFGS: 3283 15:26:48 0.278919 0.066058 BFGS: 3284 15:26:48 0.276567 0.064385 BFGS: 3285 15:26:48 0.274238 0.062721 BFGS: 3286 15:26:48 0.271927 0.061515 BFGS: 3287 15:26:48 0.269630 0.062642 BFGS: 3288 15:26:48 0.267344 0.063705 BFGS: 3289 15:26:49 0.265062 0.064705 BFGS: 3290 15:26:49 0.262802 0.065678 BFGS: 3291 15:26:49 0.260568 0.066627 BFGS: 3292 15:26:49 0.258354 0.067550 BFGS: 3293 15:26:49 0.256153 0.068435 BFGS: 3294 15:26:49 0.253964 0.069277 BFGS: 3295 15:26:49 0.251786 0.070066 BFGS: 3296 15:26:49 0.249611 0.070817 BFGS: 3297 15:26:50 0.247436 0.071538 BFGS: 3298 15:26:50 0.245257 0.072230 BFGS: 3299 15:26:50 0.243076 0.072895 BFGS: 3300 15:26:50 0.240890 0.073530 BFGS: 3301 15:26:50 0.238697 0.074140 BFGS: 3302 15:26:50 0.236526 0.074712 BFGS: 3303 15:26:50 0.234379 0.075259 BFGS: 3304 15:26:51 0.232253 0.075786 BFGS: 3305 15:26:51 0.230147 0.076290 BFGS: 3306 15:26:51 0.228061 0.076770 BFGS: 3307 15:26:51 0.225996 0.077222 BFGS: 3308 15:26:51 0.223950 0.077642 BFGS: 3309 15:26:51 0.221919 0.078035 BFGS: 3310 15:26:51 0.219899 0.078400 BFGS: 3311 15:26:51 0.217890 0.078735 BFGS: 3312 15:26:52 0.215885 0.079043 BFGS: 3313 15:26:52 0.213874 0.079329 BFGS: 3314 15:26:52 0.211861 0.079577 BFGS: 3315 15:26:52 0.209850 0.079759 BFGS: 3316 15:26:52 0.207835 0.079871 BFGS: 3317 15:26:52 0.205808 0.079932 BFGS: 3318 15:26:52 0.203763 0.079946 BFGS: 3319 15:26:53 0.201698 0.079912 BFGS: 3320 15:26:53 0.199608 0.079826 BFGS: 3321 15:26:53 0.197501 0.079669 BFGS: 3322 15:26:53 0.195391 0.079424 BFGS: 3323 15:26:53 0.193263 0.079114 BFGS: 3324 15:26:53 0.191110 0.078744 BFGS: 3325 15:26:53 0.188925 0.078312 BFGS: 3326 15:26:53 0.186715 0.077799 BFGS: 3327 15:26:54 0.184476 0.077214 BFGS: 3328 15:26:54 0.182208 0.076564 BFGS: 3329 15:26:54 0.179911 0.075854 BFGS: 3330 15:26:54 0.177588 0.075090 BFGS: 3331 15:26:54 0.175241 0.074278 BFGS: 3332 15:26:54 0.172880 0.073435 BFGS: 3333 15:26:54 0.170510 0.072571 BFGS: 3334 15:26:54 0.168138 0.071689 BFGS: 3335 15:26:55 0.165768 0.070792 BFGS: 3336 15:26:55 0.163400 0.069883 BFGS: 3337 15:26:55 0.161038 0.070185 BFGS: 3338 15:26:55 0.158683 0.070536 BFGS: 3339 15:26:55 0.156335 0.070864 BFGS: 3340 15:26:55 0.154000 0.071163 BFGS: 3341 15:26:55 0.151704 0.071411 BFGS: 3342 15:26:56 0.149437 0.071621 BFGS: 3343 15:26:56 0.147193 0.071799 BFGS: 3344 15:26:56 0.144968 0.071947 BFGS: 3345 15:26:56 0.142762 0.072065 BFGS: 3346 15:26:56 0.140573 0.072153 BFGS: 3347 15:26:57 0.138408 0.072214 BFGS: 3348 15:26:57 0.136097 0.072290 BFGS: 3349 15:26:57 0.133745 0.072301 BFGS: 3350 15:26:58 0.131382 0.072243 BFGS: 3351 15:26:58 0.129016 0.072122 BFGS: 3352 15:26:58 0.126683 0.071951 BFGS: 3353 15:26:59 0.124435 0.071748 BFGS: 3354 15:26:59 0.122221 0.071517 BFGS: 3355 15:26:59 0.120022 0.071262 BFGS: 3356 15:26:59 0.117834 0.070986 BFGS: 3357 15:26:59 0.115653 0.070688 BFGS: 3358 15:27:00 0.113480 0.070371 BFGS: 3359 15:27:00 0.111318 0.070038 BFGS: 3360 15:27:01 0.109172 0.069694 BFGS: 3361 15:27:01 0.107035 0.069336 BFGS: 3362 15:27:01 0.104907 0.068964 BFGS: 3363 15:27:02 0.102786 0.068574 BFGS: 3364 15:27:02 0.100673 0.068167 BFGS: 3365 15:27:03 0.098568 0.067739 BFGS: 3366 15:27:03 0.096503 0.067285 BFGS: 3367 15:27:03 0.094514 0.066802 BFGS: 3368 15:27:03 0.092579 0.066348 BFGS: 3369 15:27:04 0.090680 0.065794 BFGS: 3370 15:27:04 0.088794 0.064909 BFGS: 3371 15:27:05 0.086917 0.064015 BFGS: 3372 15:27:05 0.085026 0.063110 BFGS: 3373 15:27:05 0.083130 0.062193 BFGS: 3374 15:27:06 0.081108 0.061127 BFGS: 3375 15:27:06 0.079081 0.059996 BFGS: 3376 15:27:06 0.076904 0.058719 BFGS: 3377 15:27:07 0.074643 0.057307 BFGS: 3378 15:27:07 0.072333 0.055790 BFGS: 3379 15:27:08 0.069979 0.054191 BFGS: 3380 15:27:08 0.067582 0.053246 BFGS: 3381 15:27:08 0.065169 0.053487 BFGS: 3382 15:27:08 0.062682 0.053654 BFGS: 3383 15:27:08 0.060247 0.053746 BFGS: 3384 15:27:09 0.057859 0.053775 BFGS: 3385 15:27:09 0.055522 0.053742 BFGS: 3386 15:27:09 0.053240 0.053648 BFGS: 3387 15:27:09 0.051022 0.053493 BFGS: 3388 15:27:09 0.048872 0.053279 BFGS: 3389 15:27:09 0.046752 0.053012 BFGS: 3390 15:27:09 0.044661 0.052686 BFGS: 3391 15:27:10 0.042664 0.052299 BFGS: 3392 15:27:10 0.040764 0.051851 BFGS: 3393 15:27:10 0.038948 0.051342 BFGS: 3394 15:27:10 0.037218 0.050772 BFGS: 3395 15:27:10 0.035481 0.049910 BFGS: 3396 15:27:10 0.031400 0.045756 BFGS: 3397 15:27:10 0.029013 0.041616 BFGS: 3398 15:27:10 0.027223 0.038366 BFGS: 3399 15:27:11 0.025575 0.035313 BFGS: 3400 15:27:11 0.023900 0.032123 BFGS: 3401 15:27:11 0.022083 0.028550 BFGS: 3402 15:27:11 0.020183 0.028046 BFGS: 3403 15:27:11 0.018862 0.026714 BFGS: 3404 15:27:11 0.017591 0.027800 BFGS: 3405 15:27:11 0.016569 0.029004 BFGS: 3406 15:27:12 0.015562 0.030234 BFGS: 3407 15:27:12 0.014497 0.031163 BFGS: 3408 15:27:12 0.013281 0.031392 BFGS: 3409 15:27:12 0.011854 0.025922 BFGS: 3410 15:27:12 0.010447 0.027051 BFGS: 3411 15:27:12 0.008474 0.024729 BFGS: 3412 15:27:12 0.007501 0.023516 BFGS: 3413 15:27:13 0.006530 0.025339 BFGS: 3414 15:27:13 0.005924 0.025298 BFGS: 3415 15:27:13 0.005247 0.024264 BFGS: 3416 15:27:13 0.004487 0.023142 BFGS: 3417 15:27:13 0.003747 0.023041 BFGS: 3418 15:27:13 0.003239 0.022922 BFGS: 3419 15:27:13 0.002731 0.022227 BFGS: 3420 15:27:14 0.002219 0.019260 BFGS: 3421 15:27:14 0.001855 0.016396 BFGS: 3422 15:27:14 0.001491 0.013453 BFGS: 3423 15:27:14 0.001203 0.010652 BFGS: 3424 15:27:14 0.000985 0.007841 BFGS: 3425 15:27:14 0.000796 0.005452 BFGS: 3426 15:27:14 0.000695 0.005452 BFGS: 3427 15:27:14 0.000625 0.005082 BFGS: 3428 15:27:15 0.000571 0.004831 BFGS: 3429 15:27:15 0.000460 0.004620 BFGS: 3430 15:27:15 0.000405 0.004824 BFGS: 3431 15:27:15 0.000353 0.004804 BFGS: 3432 15:27:15 0.000329 0.004722 BFGS: 3433 15:27:15 0.000301 0.004343 BFGS: 3434 15:27:15 0.000268 0.003925 BFGS: 3435 15:27:16 0.000242 0.003771 BFGS: 3436 15:27:16 0.000190 0.003342 BFGS: 3437 15:27:16 0.000140 0.003158 BFGS: 3438 15:27:16 0.000102 0.003687 BFGS: 3439 15:27:16 0.000085 0.002616 BFGS: 3440 15:27:16 0.000069 0.002259 BFGS: 3441 15:27:16 0.000057 0.001823 BFGS: 3442 15:27:16 0.000043 0.001711 BFGS: 3443 15:27:17 0.000036 0.001625 BFGS: 3444 15:27:17 0.000031 0.001577 BFGS: 3445 15:27:17 0.000026 0.001630 BFGS: 3446 15:27:17 0.000021 0.001669 BFGS: 3447 15:27:17 0.000014 0.001852 BFGS: 3448 15:27:17 0.000010 0.001701 BFGS: 3449 15:27:18 0.000004 0.000893 BFGS: 3450 15:27:18 0.000001 0.000518 BFGS: 3451 15:27:18 0.000000 0.000301 BFGS: 3452 15:27:18 0.000000 0.000101 BFGS: 3453 15:27:18 0.000000 0.000047 BFGS: 3454 15:27:18 0.000000 0.000010 BFGS: 3455 15:27:18 0.000000 0.000001 BFGS: 3456 15:27:19 0.000000 0.000000 Minimization converged after 3456 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 0.0 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 = [[0.00000000e+00 5.17911594e-01 2.50000000e-01] [5.00000000e-01 1.79115942e-02 2.50000000e-01] [3.85971798e-17 4.82088406e-01 7.50000000e-01] [5.00000000e-01 9.82088406e-01 7.50000000e-01] [4.18421421e-01 8.89183767e-01 1.71643822e-01] [5.81578579e-01 8.89183767e-01 3.28356178e-01] [9.18421421e-01 3.89183767e-01 1.71643822e-01] [8.15785794e-02 3.89183767e-01 3.28356178e-01] [5.81578579e-01 1.10816233e-01 8.28356178e-01] [4.18421421e-01 1.10816233e-01 6.71643822e-01] [8.15785794e-02 6.10816233e-01 8.28356178e-01] [9.18421421e-01 6.10816233e-01 6.71643822e-01] [4.04474997e-01 7.59677847e-01 3.81933966e-01] [5.95525003e-01 7.59677847e-01 1.18066034e-01] [9.04474997e-01 2.59677847e-01 3.81933966e-01] [9.55250031e-02 2.59677847e-01 1.18066034e-01] [5.95525003e-01 2.40322153e-01 6.18066034e-01] [4.04474997e-01 2.40322153e-01 8.81933966e-01] [9.55250031e-02 7.40322153e-01 6.18066034e-01] [9.04474997e-01 7.40322153e-01 8.81933966e-01] [1.37971366e-01 8.26070827e-01 9.01912329e-01] [8.62028634e-01 8.26070827e-01 5.98087671e-01] [6.37971366e-01 3.26070827e-01 9.01912329e-01] [3.62028634e-01 3.26070827e-01 5.98087671e-01] [8.62028634e-01 1.73929173e-01 9.80876709e-02] [1.37971366e-01 1.73929173e-01 4.01912329e-01] [3.62028634e-01 6.73929173e-01 9.80876709e-02] [6.37971366e-01 6.73929173e-01 4.01912329e-01] [3.11172976e-01 8.80413062e-01 4.41528238e-01] [6.88827024e-01 8.80413062e-01 5.84717619e-02] [8.11172976e-01 3.80413062e-01 4.41528238e-01] [1.88827024e-01 3.80413062e-01 5.84717619e-02] [6.88827024e-01 1.19586938e-01 5.58471762e-01] [3.11172976e-01 1.19586938e-01 9.41528238e-01] [1.88827024e-01 6.19586938e-01 5.58471762e-01] [8.11172976e-01 6.19586938e-01 9.41528238e-01] [6.73404949e-01 7.22001198e-01 8.97517580e-01] [3.26595051e-01 7.22001198e-01 6.02482420e-01] [1.73404949e-01 2.22001198e-01 8.97517580e-01] [8.26595051e-01 2.22001198e-01 6.02482420e-01] [3.26595051e-01 2.77998802e-01 1.02482420e-01] [6.73404949e-01 2.77998802e-01 3.97517580e-01] [8.26595051e-01 7.77998802e-01 1.02482420e-01] [1.73404949e-01 7.77998802e-01 3.97517580e-01] [5.90546377e-01 4.37215086e-01 6.16929152e-01] [4.09453623e-01 4.37215086e-01 8.83070848e-01] [9.05463775e-02 9.37215086e-01 6.16929152e-01] [9.09453623e-01 9.37215086e-01 8.83070848e-01] [4.09453623e-01 5.62784914e-01 3.83070848e-01] [5.90546377e-01 5.62784914e-01 1.16929152e-01] [9.09453623e-01 6.27849144e-02 3.83070848e-01] [9.05463775e-02 6.27849144e-02 1.16929152e-01] [8.64854831e-01 4.34865157e-01 6.69170704e-01] [1.35145169e-01 4.34865157e-01 8.30829296e-01] [3.64854831e-01 9.34865157e-01 6.69170704e-01] [6.35145169e-01 9.34865157e-01 8.30829296e-01] [1.35145169e-01 5.65134843e-01 3.30829296e-01] [8.64854831e-01 5.65134843e-01 1.69170704e-01] [6.35145169e-01 6.51348431e-02 3.30829296e-01] [3.64854831e-01 6.51348431e-02 1.69170704e-01] [2.98270892e-01 8.97475871e-01 1.66982388e-01] [7.01729108e-01 8.97475871e-01 3.33017612e-01] [7.98270892e-01 3.97475871e-01 1.66982388e-01] [2.01729108e-01 3.97475871e-01 3.33017612e-01] [7.01729108e-01 1.02524129e-01 8.33017612e-01] [2.98270892e-01 1.02524129e-01 6.66982388e-01] [2.01729108e-01 6.02524129e-01 8.33017612e-01] [7.98270892e-01 6.02524129e-01 6.66982388e-01] [7.36969500e-01 5.08089152e-02 1.34554988e-01] [2.63030500e-01 5.08089152e-02 3.65445012e-01] [2.36969500e-01 5.50808915e-01 1.34554988e-01] [7.63030500e-01 5.50808915e-01 3.65445012e-01] [2.63030500e-01 9.49191085e-01 8.65445012e-01] [7.36969500e-01 9.49191085e-01 6.34554988e-01] [7.63030500e-01 4.49191085e-01 8.65445012e-01] [2.36969500e-01 4.49191085e-01 6.34554988e-01] [8.12058864e-01 9.46493625e-01 3.99824081e-01] [1.87941136e-01 9.46493625e-01 1.00175919e-01] [3.12058864e-01 4.46493625e-01 3.99824081e-01] [6.87941136e-01 4.46493625e-01 1.00175919e-01] [1.87941136e-01 5.35063750e-02 6.00175919e-01] [8.12058864e-01 5.35063750e-02 8.99824081e-01] [6.87941136e-01 5.53506375e-01 6.00175919e-01] [3.12058864e-01 5.53506375e-01 8.99824081e-01] [5.58327187e-01 3.36590876e-01 3.93203632e-01] [4.41672813e-01 3.36590876e-01 1.06796368e-01] [5.83271871e-02 8.36590876e-01 3.93203632e-01] [9.41672813e-01 8.36590876e-01 1.06796368e-01] [4.41672813e-01 6.63409124e-01 6.06796368e-01] [5.58327187e-01 6.63409124e-01 8.93203632e-01] [9.41672813e-01 1.63409124e-01 6.06796368e-01] [5.83271871e-02 1.63409124e-01 8.93203632e-01] [3.97917490e-01 9.73229323e-01 9.26091158e-01] [6.02082510e-01 9.73229323e-01 5.73908842e-01] [8.97917490e-01 4.73229323e-01 9.26091158e-01] [1.02082510e-01 4.73229323e-01 5.73908842e-01] [6.02082510e-01 2.67706770e-02 7.39088423e-02] [3.97917490e-01 2.67706770e-02 4.26091158e-01] [1.02082510e-01 5.26770677e-01 7.39088423e-02] [8.97917490e-01 5.26770677e-01 4.26091158e-01] [6.88474299e-01 7.53318320e-01 6.21272886e-01] [3.11525701e-01 7.53318320e-01 8.78727114e-01] [1.88474299e-01 2.53318320e-01 6.21272886e-01] [8.11525701e-01 2.53318320e-01 8.78727114e-01] [3.11525701e-01 2.46681680e-01 3.78727114e-01] [6.88474299e-01 2.46681680e-01 1.21272886e-01] [8.11525701e-01 7.46681680e-01 3.78727114e-01] [1.88474299e-01 7.46681680e-01 1.21272886e-01] [5.59245613e-01 6.27506128e-01 6.16942921e-01] [4.40754387e-01 6.27506128e-01 8.83057079e-01] [5.92456129e-02 1.27506128e-01 6.16942921e-01] [9.40754387e-01 1.27506128e-01 8.83057079e-01] [4.40754387e-01 3.72493872e-01 3.83057079e-01] [5.59245613e-01 3.72493872e-01 1.16942921e-01] [9.40754387e-01 8.72493872e-01 3.83057079e-01] [5.92456129e-02 8.72493872e-01 1.16942921e-01] [6.47749051e-01 5.21332418e-01 8.66834407e-01] [3.52250949e-01 5.21332418e-01 6.33165593e-01] [1.47749051e-01 2.13324183e-02 8.66834407e-01] [8.52250949e-01 2.13324183e-02 6.33165593e-01] [3.52250949e-01 4.78667582e-01 1.33165593e-01] [6.47749051e-01 4.78667582e-01 3.66834407e-01] [8.52250949e-01 9.78667582e-01 1.33165593e-01] [1.47749051e-01 9.78667582e-01 3.66834407e-01] [5.28357015e-01 4.73196502e-01 8.77614226e-01] [4.71642985e-01 4.73196502e-01 6.22385774e-01] [2.83570146e-02 9.73196502e-01 8.77614226e-01] [9.71642985e-01 9.73196502e-01 6.22385774e-01] [4.71642985e-01 5.26803498e-01 1.22385774e-01] [5.28357015e-01 5.26803498e-01 3.77614226e-01] [9.71642985e-01 2.68034975e-02 1.22385774e-01] [2.83570146e-02 2.68034975e-02 3.77614226e-01] [2.15867879e-01 7.91426363e-01 6.79421531e-01] [7.84132121e-01 7.91426363e-01 8.20578469e-01] [7.15867879e-01 2.91426363e-01 6.79421531e-01] [2.84132121e-01 2.91426363e-01 8.20578469e-01] [7.84132121e-01 2.08573637e-01 3.20578469e-01] [2.15867879e-01 2.08573637e-01 1.79421531e-01] [2.84132121e-01 7.08573637e-01 3.20578469e-01] [7.15867879e-01 7.08573637e-01 1.79421531e-01] [5.60259257e-01 8.12917578e-01 7.11360836e-01] [4.39740743e-01 8.12917578e-01 7.88639164e-01] [6.02592572e-02 3.12917578e-01 7.11360836e-01] [9.39740743e-01 3.12917578e-01 7.88639164e-01] [4.39740743e-01 1.87082422e-01 2.88639164e-01] [5.60259257e-01 1.87082422e-01 2.11360836e-01] [9.39740743e-01 6.87082422e-01 2.88639164e-01] [6.02592572e-02 6.87082422e-01 2.11360836e-01] [5.25182211e-01 1.08420369e-01 4.91882254e-01] [4.74817789e-01 1.08420369e-01 8.11774571e-03] [2.51822106e-02 6.08420369e-01 4.91882254e-01] [9.74817789e-01 6.08420369e-01 8.11774571e-03] [4.74817789e-01 8.91579631e-01 5.08117746e-01] [5.25182211e-01 8.91579631e-01 9.91882254e-01] [9.74817789e-01 3.91579631e-01 5.08117746e-01] [2.51822106e-02 3.91579631e-01 9.91882254e-01] [5.21659077e-01 2.76937069e-01 8.94742568e-01] [4.78340923e-01 2.76937069e-01 6.05257432e-01] [2.16590774e-02 7.76937069e-01 8.94742568e-01] [9.78340923e-01 7.76937069e-01 6.05257432e-01] [4.78340923e-01 7.23062931e-01 1.05257432e-01] [5.21659077e-01 7.23062931e-01 3.94742568e-01] [9.78340923e-01 2.23062931e-01 1.05257432e-01] [2.16590774e-02 2.23062931e-01 3.94742568e-01]] cellpar = Cell([[45.89630563804884, 1.4417981852394684e-17, 0.24102634998416975], [1.0141041066096229e-17, 27.949475493019914, -6.628294834666021e-17], [1.4614288061146536, -3.8477035653679164e-17, 19.64445797294147]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [0. 0. 0. 0. 0. 0.] energy per atom = 0.0 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0