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_VashishtaKaliaNakano_2007_SiC__SM_196548226654_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 20:40:50 2670.635062 19.4367 BFGS: 1 20:40:50 2667.339850 19.4097 BFGS: 2 20:40:51 2664.081224 19.3829 BFGS: 3 20:40:51 2660.853918 19.3562 BFGS: 4 20:40:51 2657.653950 19.3296 BFGS: 5 20:40:51 2654.478636 19.3032 BFGS: 6 20:40:52 2651.325746 19.2768 BFGS: 7 20:40:52 2648.193186 19.2505 BFGS: 8 20:40:52 2645.079203 19.2242 BFGS: 9 20:40:52 2641.982318 19.1981 BFGS: 10 20:40:52 2638.901261 19.1720 BFGS: 11 20:40:52 2635.834911 19.1461 BFGS: 12 20:40:53 2632.782286 19.1204 BFGS: 13 20:40:53 2629.742538 19.0947 BFGS: 14 20:40:53 2626.714913 19.0691 BFGS: 15 20:40:54 2623.698760 19.0436 BFGS: 16 20:40:54 2620.693446 19.0182 BFGS: 17 20:40:54 2617.698447 18.9928 BFGS: 18 20:40:55 2614.713285 18.9675 BFGS: 19 20:40:55 2611.737530 18.9422 BFGS: 20 20:40:55 2608.770787 18.9170 BFGS: 21 20:40:55 2605.812695 18.8924 BFGS: 22 20:40:56 2602.863054 18.8678 BFGS: 23 20:40:56 2599.921579 18.8433 BFGS: 24 20:40:56 2596.987975 18.8188 BFGS: 25 20:40:56 2594.061976 18.7944 BFGS: 26 20:40:57 2591.143330 18.7700 BFGS: 27 20:40:57 2588.231804 18.7457 BFGS: 28 20:40:57 2585.327179 18.7213 BFGS: 29 20:40:57 2582.429251 18.6970 BFGS: 30 20:40:57 2579.537810 18.6728 BFGS: 31 20:40:57 2576.652679 18.6486 BFGS: 32 20:40:58 2573.773694 18.6245 BFGS: 33 20:40:58 2570.900693 18.6004 BFGS: 34 20:40:58 2568.033522 18.5763 BFGS: 35 20:40:58 2565.171987 18.5522 BFGS: 36 20:40:59 2562.315924 18.5282 BFGS: 37 20:40:59 2559.465205 18.5042 BFGS: 38 20:40:59 2556.619704 18.4802 BFGS: 39 20:41:00 2553.779312 18.4564 BFGS: 40 20:41:00 2550.943891 18.4327 BFGS: 41 20:41:01 2548.113274 18.4090 BFGS: 42 20:41:01 2545.287347 18.3854 BFGS: 43 20:41:01 2542.466005 18.3618 BFGS: 44 20:41:02 2539.649150 18.3382 BFGS: 45 20:41:02 2536.836690 18.3147 BFGS: 46 20:41:03 2534.028511 18.2912 BFGS: 47 20:41:03 2531.224510 18.2678 BFGS: 48 20:41:03 2528.424586 18.2444 BFGS: 49 20:41:04 2525.628642 18.2210 BFGS: 50 20:41:04 2522.836583 18.1977 BFGS: 51 20:41:05 2520.048312 18.1744 BFGS: 52 20:41:05 2517.263724 18.1512 BFGS: 53 20:41:06 2514.482722 18.1280 BFGS: 54 20:41:06 2511.705185 18.1048 BFGS: 55 20:41:06 2508.931017 18.0816 BFGS: 56 20:41:07 2506.160149 18.0584 BFGS: 57 20:41:07 2503.392483 18.0352 BFGS: 58 20:41:08 2500.627919 18.0121 BFGS: 59 20:41:09 2497.866340 17.9891 BFGS: 60 20:41:09 2495.107596 17.9661 BFGS: 61 20:41:09 2492.351571 17.9431 BFGS: 62 20:41:10 2489.598134 17.9201 BFGS: 63 20:41:10 2486.847163 17.8972 BFGS: 64 20:41:10 2484.098529 17.8743 BFGS: 65 20:41:11 2481.352128 17.8514 BFGS: 66 20:41:11 2478.607855 17.8285 BFGS: 67 20:41:12 2475.865583 17.8056 BFGS: 68 20:41:12 2473.125180 17.7828 BFGS: 69 20:41:12 2470.386510 17.7600 BFGS: 70 20:41:13 2467.649435 17.7372 BFGS: 71 20:41:13 2464.913826 17.7144 BFGS: 72 20:41:14 2462.179542 17.6916 BFGS: 73 20:41:14 2459.446430 17.6688 BFGS: 74 20:41:14 2456.714316 17.6461 BFGS: 75 20:41:15 2453.983052 17.6234 BFGS: 76 20:41:15 2451.252494 17.6006 BFGS: 77 20:41:15 2448.522495 17.5779 BFGS: 78 20:41:16 2445.792911 17.5552 BFGS: 79 20:41:16 2443.063574 17.5325 BFGS: 80 20:41:16 2440.334332 17.5098 BFGS: 81 20:41:17 2437.605042 17.4871 BFGS: 82 20:41:17 2434.875575 17.4644 BFGS: 83 20:41:17 2432.145811 17.4417 BFGS: 84 20:41:18 2429.415628 17.4190 BFGS: 85 20:41:18 2426.684897 17.3963 BFGS: 86 20:41:19 2423.953542 17.3737 BFGS: 87 20:41:19 2421.221483 17.3510 BFGS: 88 20:41:20 2418.488616 17.3284 BFGS: 89 20:41:20 2415.754885 17.3058 BFGS: 90 20:41:20 2413.020244 17.2831 BFGS: 91 20:41:21 2410.284664 17.2605 BFGS: 92 20:41:21 2407.548127 17.2378 BFGS: 93 20:41:22 2404.810623 17.2152 BFGS: 94 20:41:22 2402.072136 17.1927 BFGS: 95 20:41:22 2399.332633 17.1702 BFGS: 96 20:41:23 2396.592191 17.1479 BFGS: 97 20:41:23 2393.850838 17.1256 BFGS: 98 20:41:24 2391.108683 17.1033 BFGS: 99 20:41:24 2388.365790 17.0809 BFGS: 100 20:41:25 2385.622224 17.0586 BFGS: 101 20:41:25 2382.878050 17.0362 BFGS: 102 20:41:26 2380.133324 17.0139 BFGS: 103 20:41:26 2377.388061 16.9916 BFGS: 104 20:41:27 2374.642203 16.9694 BFGS: 105 20:41:27 2371.895793 16.9472 BFGS: 106 20:41:28 2369.148908 16.9250 BFGS: 107 20:41:28 2366.401621 16.9028 BFGS: 108 20:41:29 2363.654000 16.8806 BFGS: 109 20:41:29 2360.906097 16.8585 BFGS: 110 20:41:30 2358.157976 16.8363 BFGS: 111 20:41:30 2355.409689 16.8141 BFGS: 112 20:41:31 2352.661286 16.7919 BFGS: 113 20:41:31 2349.912811 16.7698 BFGS: 114 20:41:31 2347.164302 16.7476 BFGS: 115 20:41:32 2344.415813 16.7255 BFGS: 116 20:41:32 2341.667372 16.7034 BFGS: 117 20:41:32 2338.918996 16.6814 BFGS: 118 20:41:33 2336.170670 16.6595 BFGS: 119 20:41:33 2333.422406 16.6376 BFGS: 120 20:41:33 2330.674245 16.6157 BFGS: 121 20:41:34 2327.926206 16.5940 BFGS: 122 20:41:34 2325.178285 16.5723 BFGS: 123 20:41:35 2322.430512 16.5506 BFGS: 124 20:41:35 2319.682833 16.5290 BFGS: 125 20:41:35 2316.935294 16.5074 BFGS: 126 20:41:36 2314.187949 16.4858 BFGS: 127 20:41:36 2311.440827 16.4643 BFGS: 128 20:41:37 2308.693984 16.4428 BFGS: 129 20:41:37 2305.947470 16.4214 BFGS: 130 20:41:37 2303.201309 16.4001 BFGS: 131 20:41:38 2300.455525 16.3788 BFGS: 132 20:41:38 2297.710163 16.3575 BFGS: 133 20:41:38 2294.965267 16.3362 BFGS: 134 20:41:39 2292.220883 16.3149 BFGS: 135 20:41:39 2289.477055 16.2936 BFGS: 136 20:41:39 2286.733799 16.2724 BFGS: 137 20:41:40 2283.991135 16.2512 BFGS: 138 20:41:40 2281.249121 16.2301 BFGS: 139 20:41:41 2278.507752 16.2096 BFGS: 140 20:41:41 2275.767078 16.1891 BFGS: 141 20:41:41 2273.027149 16.1686 BFGS: 142 20:41:42 2270.287963 16.1481 BFGS: 143 20:41:42 2267.549421 16.1277 BFGS: 144 20:41:42 2264.811541 16.1072 BFGS: 145 20:41:43 2262.074366 16.0868 BFGS: 146 20:41:43 2259.337927 16.0665 BFGS: 147 20:41:43 2256.602190 16.0462 BFGS: 148 20:41:44 2253.867086 16.0262 BFGS: 149 20:41:44 2251.132714 16.0061 BFGS: 150 20:41:44 2248.399070 15.9861 BFGS: 151 20:41:45 2245.666181 15.9661 BFGS: 152 20:41:45 2242.934077 15.9461 BFGS: 153 20:41:45 2240.202801 15.9262 BFGS: 154 20:41:46 2237.472388 15.9064 BFGS: 155 20:41:46 2234.742923 15.8866 BFGS: 156 20:41:47 2232.014453 15.8669 BFGS: 157 20:41:47 2229.286998 15.8471 BFGS: 158 20:41:48 2226.560590 15.8274 BFGS: 159 20:41:48 2223.835225 15.8076 BFGS: 160 20:41:49 2221.110748 15.7878 BFGS: 161 20:41:49 2218.387149 15.7680 BFGS: 162 20:41:49 2215.664457 15.7482 BFGS: 163 20:41:50 2212.942702 15.7284 BFGS: 164 20:41:50 2210.221907 15.7086 BFGS: 165 20:41:51 2207.502111 15.6888 BFGS: 166 20:41:51 2204.783328 15.6690 BFGS: 167 20:41:51 2202.065581 15.6492 BFGS: 168 20:41:52 2199.348889 15.6294 BFGS: 169 20:41:52 2196.633264 15.6096 BFGS: 170 20:41:52 2193.918615 15.5898 BFGS: 171 20:41:53 2191.204928 15.5700 BFGS: 172 20:41:53 2188.492225 15.5501 BFGS: 173 20:41:54 2185.780525 15.5303 BFGS: 174 20:41:54 2183.069820 15.5104 BFGS: 175 20:41:55 2180.360089 15.4906 BFGS: 176 20:41:55 2177.651350 15.4708 BFGS: 177 20:41:56 2174.943630 15.4510 BFGS: 178 20:41:57 2172.236936 15.4311 BFGS: 179 20:41:57 2169.531272 15.4114 BFGS: 180 20:41:58 2166.826656 15.3916 BFGS: 181 20:41:58 2164.123093 15.3717 BFGS: 182 20:41:59 2161.420586 15.3519 BFGS: 183 20:41:59 2158.719131 15.3320 BFGS: 184 20:42:00 2156.018691 15.3122 BFGS: 185 20:42:00 2153.319251 15.2923 BFGS: 186 20:42:01 2150.620809 15.2724 BFGS: 187 20:42:01 2147.923363 15.2525 BFGS: 188 20:42:02 2145.226910 15.2325 BFGS: 189 20:42:02 2142.531445 15.2126 BFGS: 190 20:42:02 2139.836961 15.1926 BFGS: 191 20:42:03 2137.143448 15.1726 BFGS: 192 20:42:03 2134.450888 15.1528 BFGS: 193 20:42:04 2131.759293 15.1329 BFGS: 194 20:42:04 2129.068652 15.1130 BFGS: 195 20:42:05 2126.378963 15.0931 BFGS: 196 20:42:05 2123.690518 15.0732 BFGS: 197 20:42:05 2121.003384 15.0533 BFGS: 198 20:42:06 2118.317581 15.0334 BFGS: 199 20:42:06 2115.633095 15.0135 BFGS: 200 20:42:06 2112.949913 14.9942 BFGS: 201 20:42:07 2110.268026 14.9752 BFGS: 202 20:42:07 2107.587379 14.9562 BFGS: 203 20:42:08 2104.907926 14.9372 BFGS: 204 20:42:08 2102.229650 14.9181 BFGS: 205 20:42:09 2099.552532 14.8991 BFGS: 206 20:42:09 2096.876538 14.8801 BFGS: 207 20:42:10 2094.201654 14.8611 BFGS: 208 20:42:10 2091.527857 14.8425 BFGS: 209 20:42:11 2088.855163 14.8238 BFGS: 210 20:42:11 2086.183533 14.8052 BFGS: 211 20:42:12 2083.512901 14.7866 BFGS: 212 20:42:12 2080.843214 14.7680 BFGS: 213 20:42:13 2078.174432 14.7494 BFGS: 214 20:42:13 2075.506537 14.7308 BFGS: 215 20:42:14 2072.839379 14.7124 BFGS: 216 20:42:14 2070.172826 14.6941 BFGS: 217 20:42:15 2067.506814 14.6759 BFGS: 218 20:42:15 2064.841332 14.6577 BFGS: 219 20:42:15 2062.176337 14.6396 BFGS: 220 20:42:16 2059.511800 14.6215 BFGS: 221 20:42:16 2056.847716 14.6034 BFGS: 222 20:42:17 2054.184089 14.5853 BFGS: 223 20:42:17 2051.520935 14.5671 BFGS: 224 20:42:17 2048.858250 14.5491 BFGS: 225 20:42:18 2046.195995 14.5314 BFGS: 226 20:42:18 2043.534076 14.5136 BFGS: 227 20:42:19 2040.872493 14.4958 BFGS: 228 20:42:19 2038.211254 14.4781 BFGS: 229 20:42:19 2035.550351 14.4604 BFGS: 230 20:42:20 2032.889804 14.4427 BFGS: 231 20:42:20 2030.229636 14.4250 BFGS: 232 20:42:20 2027.569866 14.4073 BFGS: 233 20:42:20 2024.910519 14.3895 BFGS: 234 20:42:20 2022.251613 14.3718 BFGS: 235 20:42:20 2019.593189 14.3540 BFGS: 236 20:42:21 2016.935259 14.3363 BFGS: 237 20:42:21 2014.277850 14.3185 BFGS: 238 20:42:21 2011.621063 14.3008 BFGS: 239 20:42:22 2008.965240 14.2830 BFGS: 240 20:42:22 2006.310399 14.2652 BFGS: 241 20:42:23 2003.656577 14.2474 BFGS: 242 20:42:23 2001.003814 14.2296 BFGS: 243 20:42:24 1998.352148 14.2118 BFGS: 244 20:42:24 1995.701617 14.1940 BFGS: 245 20:42:25 1993.052259 14.1761 BFGS: 246 20:42:25 1990.404115 14.1583 BFGS: 247 20:42:25 1987.757223 14.1404 BFGS: 248 20:42:26 1985.111625 14.1225 BFGS: 249 20:42:26 1982.467360 14.1045 BFGS: 250 20:42:27 1979.824470 14.0865 BFGS: 251 20:42:27 1977.182995 14.0686 BFGS: 252 20:42:28 1974.542977 14.0505 BFGS: 253 20:42:28 1971.904456 14.0325 BFGS: 254 20:42:28 1969.267456 14.0145 BFGS: 255 20:42:29 1966.631954 13.9966 BFGS: 256 20:42:29 1963.997974 13.9787 BFGS: 257 20:42:30 1961.365542 13.9608 BFGS: 258 20:42:30 1958.734708 13.9429 BFGS: 259 20:42:30 1956.105433 13.9251 BFGS: 260 20:42:31 1953.477592 13.9075 BFGS: 261 20:42:31 1950.851117 13.8900 BFGS: 262 20:42:32 1948.226004 13.8724 BFGS: 263 20:42:32 1945.602285 13.8549 BFGS: 264 20:42:32 1942.980043 13.8375 BFGS: 265 20:42:33 1940.359233 13.8201 BFGS: 266 20:42:33 1937.739831 13.8026 BFGS: 267 20:42:34 1935.121868 13.7852 BFGS: 268 20:42:34 1932.505377 13.7677 BFGS: 269 20:42:34 1929.890388 13.7501 BFGS: 270 20:42:35 1927.276934 13.7326 BFGS: 271 20:42:35 1924.665298 13.7150 BFGS: 272 20:42:35 1922.055511 13.6976 BFGS: 273 20:42:36 1919.447556 13.6803 BFGS: 274 20:42:36 1916.841429 13.6628 BFGS: 275 20:42:37 1914.237171 13.6453 BFGS: 276 20:42:37 1911.634827 13.6278 BFGS: 277 20:42:37 1909.034530 13.6103 BFGS: 278 20:42:38 1906.436343 13.5927 BFGS: 279 20:42:38 1903.840296 13.5752 BFGS: 280 20:42:38 1901.246353 13.5577 BFGS: 281 20:42:39 1898.654484 13.5403 BFGS: 282 20:42:39 1896.064731 13.5228 BFGS: 283 20:42:40 1893.477093 13.5055 BFGS: 284 20:42:40 1890.891577 13.4882 BFGS: 285 20:42:40 1888.308108 13.4710 BFGS: 286 20:42:41 1885.726422 13.4539 BFGS: 287 20:42:41 1883.146436 13.4367 BFGS: 288 20:42:42 1880.568189 13.4196 BFGS: 289 20:42:42 1877.991680 13.4024 BFGS: 290 20:42:43 1875.416861 13.3852 BFGS: 291 20:42:43 1872.843716 13.3680 BFGS: 292 20:42:44 1870.272076 13.3509 BFGS: 293 20:42:44 1867.701886 13.3337 BFGS: 294 20:42:45 1865.133178 13.3166 BFGS: 295 20:42:45 1862.565981 13.2994 BFGS: 296 20:42:45 1860.000375 13.2821 BFGS: 297 20:42:46 1857.436425 13.2649 BFGS: 298 20:42:47 1854.874167 13.2475 BFGS: 299 20:42:47 1852.313632 13.2302 BFGS: 300 20:42:48 1849.754855 13.2128 BFGS: 301 20:42:49 1847.197833 13.1955 BFGS: 302 20:42:49 1844.642613 13.1782 BFGS: 303 20:42:50 1842.089188 13.1611 BFGS: 304 20:42:51 1839.537498 13.1439 BFGS: 305 20:42:51 1836.987493 13.1269 BFGS: 306 20:42:52 1834.439157 13.1098 BFGS: 307 20:42:53 1831.892509 13.0928 BFGS: 308 20:42:53 1829.347517 13.0758 BFGS: 309 20:42:54 1826.804169 13.0589 BFGS: 310 20:42:54 1824.262315 13.0421 BFGS: 311 20:42:55 1821.721962 13.0254 BFGS: 312 20:42:55 1819.183151 13.0087 BFGS: 313 20:42:55 1816.645931 12.9919 BFGS: 314 20:42:56 1814.110356 12.9751 BFGS: 315 20:42:56 1811.576463 12.9584 BFGS: 316 20:42:57 1809.044173 12.9417 BFGS: 317 20:42:57 1806.513482 12.9250 BFGS: 318 20:42:58 1803.984466 12.9082 BFGS: 319 20:42:58 1801.457275 12.8916 BFGS: 320 20:42:59 1798.932046 12.8749 BFGS: 321 20:42:59 1796.408883 12.8582 BFGS: 322 20:43:00 1793.887873 12.8415 BFGS: 323 20:43:01 1791.369103 12.8247 BFGS: 324 20:43:01 1788.852657 12.8080 BFGS: 325 20:43:01 1786.338576 12.7912 BFGS: 326 20:43:02 1783.826933 12.7744 BFGS: 327 20:43:02 1781.317823 12.7576 BFGS: 328 20:43:02 1778.811381 12.7409 BFGS: 329 20:43:03 1776.307654 12.7243 BFGS: 330 20:43:03 1773.806663 12.7077 BFGS: 331 20:43:03 1771.308496 12.6912 BFGS: 332 20:43:04 1768.813305 12.6746 BFGS: 333 20:43:04 1766.321217 12.6580 BFGS: 334 20:43:05 1763.832394 12.6414 BFGS: 335 20:43:05 1761.347002 12.6247 BFGS: 336 20:43:05 1758.865284 12.6080 BFGS: 337 20:43:06 1756.387384 12.5913 BFGS: 338 20:43:06 1753.913424 12.5746 BFGS: 339 20:43:06 1751.443507 12.5578 BFGS: 340 20:43:06 1748.977838 12.5410 BFGS: 341 20:43:06 1746.516572 12.5246 BFGS: 342 20:43:07 1744.059821 12.5084 BFGS: 343 20:43:07 1741.607703 12.4922 BFGS: 344 20:43:07 1739.160370 12.4761 BFGS: 345 20:43:08 1736.717899 12.4600 BFGS: 346 20:43:08 1734.280339 12.4438 BFGS: 347 20:43:09 1731.847817 12.4276 BFGS: 348 20:43:09 1729.420469 12.4114 BFGS: 349 20:43:09 1726.998409 12.3953 BFGS: 350 20:43:10 1724.581811 12.3793 BFGS: 351 20:43:10 1722.170817 12.3633 BFGS: 352 20:43:11 1719.765536 12.3473 BFGS: 353 20:43:11 1717.366097 12.3313 BFGS: 354 20:43:12 1714.972618 12.3155 BFGS: 355 20:43:12 1712.585265 12.2996 BFGS: 356 20:43:13 1710.204176 12.2838 BFGS: 357 20:43:13 1707.829475 12.2679 BFGS: 358 20:43:13 1705.461313 12.2520 BFGS: 359 20:43:14 1703.099817 12.2360 BFGS: 360 20:43:14 1700.745008 12.2199 BFGS: 361 20:43:14 1698.396906 12.2039 BFGS: 362 20:43:15 1696.055563 12.1881 BFGS: 363 20:43:15 1693.720978 12.1723 BFGS: 364 20:43:15 1691.393230 12.1564 BFGS: 365 20:43:16 1689.072382 12.1406 BFGS: 366 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0.3507 BFGS: 4067 21:16:15 16.625363 0.3476 BFGS: 4068 21:16:16 16.582524 0.3444 BFGS: 4069 21:16:16 16.539739 0.3413 BFGS: 4070 21:16:16 16.497007 0.3381 BFGS: 4071 21:16:16 16.454325 0.3350 BFGS: 4072 21:16:17 16.411691 0.3318 BFGS: 4073 21:16:17 16.369102 0.3287 BFGS: 4074 21:16:18 16.326558 0.3256 BFGS: 4075 21:16:19 16.284056 0.3224 BFGS: 4076 21:16:20 16.241593 0.3193 BFGS: 4077 21:16:20 16.199225 0.3162 BFGS: 4078 21:16:21 16.157080 0.3131 BFGS: 4079 21:16:21 16.115140 0.3100 BFGS: 4080 21:16:22 16.073389 0.3069 BFGS: 4081 21:16:22 16.031813 0.3038 BFGS: 4082 21:16:22 15.990401 0.3008 BFGS: 4083 21:16:23 15.949140 0.2977 BFGS: 4084 21:16:23 15.908022 0.2947 BFGS: 4085 21:16:24 15.867037 0.2916 BFGS: 4086 21:16:24 15.826176 0.2886 BFGS: 4087 21:16:25 15.785430 0.2856 BFGS: 4088 21:16:25 15.744904 0.2877 BFGS: 4089 21:16:25 15.704653 0.2913 BFGS: 4090 21:16:26 15.664643 0.2949 BFGS: 4091 21:16:27 15.624860 0.2984 BFGS: 4092 21:16:27 15.585305 0.3019 BFGS: 4093 21:16:28 15.545954 0.3054 BFGS: 4094 21:16:29 15.506785 0.3088 BFGS: 4095 21:16:30 15.467780 0.3123 BFGS: 4096 21:16:31 15.428920 0.3157 BFGS: 4097 21:16:31 15.390192 0.3190 BFGS: 4098 21:16:32 15.351582 0.3224 BFGS: 4099 21:16:32 15.313076 0.3257 BFGS: 4100 21:16:32 15.274666 0.3290 BFGS: 4101 21:16:32 15.236339 0.3322 BFGS: 4102 21:16:32 15.198089 0.3355 BFGS: 4103 21:16:32 15.159905 0.3387 BFGS: 4104 21:16:32 15.121780 0.3419 BFGS: 4105 21:16:33 15.083707 0.3450 BFGS: 4106 21:16:33 15.045689 0.3481 BFGS: 4107 21:16:34 15.007751 0.3512 BFGS: 4108 21:16:34 14.969885 0.3542 BFGS: 4109 21:16:34 14.932081 0.3572 BFGS: 4110 21:16:34 14.894331 0.3602 BFGS: 4111 21:16:35 14.856627 0.3632 BFGS: 4112 21:16:35 14.818963 0.3661 BFGS: 4113 21:16:35 14.781331 0.3689 BFGS: 4114 21:16:35 14.743728 0.3718 BFGS: 4115 21:16:36 14.706154 0.3746 BFGS: 4116 21:16:36 14.668555 0.3773 BFGS: 4117 21:16:36 14.630921 0.3800 BFGS: 4118 21:16:36 14.593243 0.3827 BFGS: 4119 21:16:36 14.555502 0.3850 BFGS: 4120 21:16:36 14.517746 0.3872 BFGS: 4121 21:16:37 14.479976 0.3894 BFGS: 4122 21:16:37 14.442187 0.3916 BFGS: 4123 21:16:38 14.404375 0.3937 BFGS: 4124 21:16:38 14.366536 0.3958 BFGS: 4125 21:16:38 14.328666 0.3979 BFGS: 4126 21:16:38 14.290762 0.3999 BFGS: 4127 21:16:39 14.252821 0.4019 BFGS: 4128 21:16:40 14.214840 0.4038 BFGS: 4129 21:16:40 14.176817 0.4057 BFGS: 4130 21:16:41 14.138748 0.4076 BFGS: 4131 21:16:41 14.100634 0.4094 BFGS: 4132 21:16:42 14.062482 0.4112 BFGS: 4133 21:16:42 14.024288 0.4129 BFGS: 4134 21:16:42 13.986050 0.4146 BFGS: 4135 21:16:43 13.947763 0.4163 BFGS: 4136 21:16:44 13.909426 0.4179 BFGS: 4137 21:16:45 13.871036 0.4195 BFGS: 4138 21:16:46 13.832606 0.4197 BFGS: 4139 21:16:46 13.794117 0.4196 BFGS: 4140 21:16:47 13.755562 0.4194 BFGS: 4141 21:16:47 13.717001 0.4192 BFGS: 4142 21:16:48 13.678435 0.4189 BFGS: 4143 21:16:49 13.639864 0.4186 BFGS: 4144 21:16:50 13.601309 0.4183 BFGS: 4145 21:16:51 13.562800 0.4180 BFGS: 4146 21:16:52 13.524382 0.4176 BFGS: 4147 21:16:52 13.486041 0.4171 BFGS: 4148 21:16:53 13.447765 0.4166 BFGS: 4149 21:16:54 13.409543 0.4161 BFGS: 4150 21:16:56 13.371365 0.4155 BFGS: 4151 21:16:56 13.333237 0.4149 BFGS: 4152 21:16:58 13.295167 0.4142 BFGS: 4153 21:16:59 13.257171 0.4135 BFGS: 4154 21:17:01 13.219309 0.4127 BFGS: 4155 21:17:02 13.181405 0.4118 BFGS: 4156 21:17:02 13.143420 0.4107 BFGS: 4157 21:17:03 13.105322 0.4096 BFGS: 4158 21:17:04 13.067086 0.4084 BFGS: 4159 21:17:05 13.028689 0.4070 BFGS: 4160 21:17:06 12.990112 0.4055 BFGS: 4161 21:17:06 12.951339 0.4040 BFGS: 4162 21:17:07 12.912335 0.4023 BFGS: 4163 21:17:07 12.873094 0.4006 BFGS: 4164 21:17:08 12.833677 0.3987 BFGS: 4165 21:17:09 12.794126 0.3968 BFGS: 4166 21:17:10 12.754444 0.3947 BFGS: 4167 21:17:11 12.714668 0.3926 BFGS: 4168 21:17:12 12.674789 0.3903 BFGS: 4169 21:17:12 12.634799 0.3880 BFGS: 4170 21:17:13 12.594692 0.3855 BFGS: 4171 21:17:13 12.554463 0.3829 BFGS: 4172 21:17:14 12.514110 0.3803 BFGS: 4173 21:17:15 12.473631 0.3775 BFGS: 4174 21:17:15 12.433023 0.3746 BFGS: 4175 21:17:16 12.392288 0.3717 BFGS: 4176 21:17:16 12.351424 0.3686 BFGS: 4177 21:17:16 12.310461 0.3655 BFGS: 4178 21:17:17 12.269579 0.3623 BFGS: 4179 21:17:17 12.228768 0.3590 BFGS: 4180 21:17:18 12.188011 0.3557 BFGS: 4181 21:17:19 12.147296 0.3523 BFGS: 4182 21:17:19 12.106606 0.3488 BFGS: 4183 21:17:20 12.065981 0.3453 BFGS: 4184 21:17:21 12.025438 0.3417 BFGS: 4185 21:17:21 11.984963 0.3381 BFGS: 4186 21:17:21 11.944548 0.3345 BFGS: 4187 21:17:22 11.904185 0.3308 BFGS: 4188 21:17:23 11.863869 0.3270 BFGS: 4189 21:17:24 11.823596 0.3233 BFGS: 4190 21:17:24 11.783354 0.3195 BFGS: 4191 21:17:25 11.743337 0.3157 BFGS: 4192 21:17:26 11.703532 0.3118 BFGS: 4193 21:17:26 11.663932 0.3080 BFGS: 4194 21:17:28 11.624648 0.3042 BFGS: 4195 21:17:28 11.585658 0.3004 BFGS: 4196 21:17:29 11.546940 0.2975 BFGS: 4197 21:17:30 11.508474 0.2967 BFGS: 4198 21:17:31 11.470248 0.2958 BFGS: 4199 21:17:32 11.432265 0.2948 BFGS: 4200 21:17:32 11.394539 0.2938 BFGS: 4201 21:17:33 11.357032 0.2927 BFGS: 4202 21:17:34 11.319728 0.2916 BFGS: 4203 21:17:34 11.282615 0.2905 BFGS: 4204 21:17:35 11.245683 0.2894 BFGS: 4205 21:17:36 11.208977 0.2883 BFGS: 4206 21:17:36 11.172562 0.2871 BFGS: 4207 21:17:36 11.136418 0.2859 BFGS: 4208 21:17:37 11.100539 0.2848 BFGS: 4209 21:17:38 11.064720 0.2835 BFGS: 4210 21:17:39 11.028949 0.2822 BFGS: 4211 21:17:39 10.993227 0.2809 BFGS: 4212 21:17:40 10.957581 0.2796 BFGS: 4213 21:17:40 10.921845 0.2781 BFGS: 4214 21:17:41 10.886037 0.2766 BFGS: 4215 21:17:41 10.850171 0.2751 BFGS: 4216 21:17:42 10.814261 0.2734 BFGS: 4217 21:17:43 10.778322 0.2717 BFGS: 4218 21:17:43 10.742368 0.2700 BFGS: 4219 21:17:44 10.706410 0.2682 BFGS: 4220 21:17:45 10.670460 0.2663 BFGS: 4221 21:17:46 10.634598 0.2644 BFGS: 4222 21:17:47 10.598930 0.2625 BFGS: 4223 21:17:48 10.563448 0.2606 BFGS: 4224 21:17:50 10.528151 0.2587 BFGS: 4225 21:17:50 10.493035 0.2568 BFGS: 4226 21:17:51 10.458099 0.2548 BFGS: 4227 21:17:52 10.423340 0.2529 BFGS: 4228 21:17:53 10.388758 0.2509 BFGS: 4229 21:17:54 10.354351 0.2489 BFGS: 4230 21:17:55 10.320119 0.2469 BFGS: 4231 21:17:55 10.286062 0.2449 BFGS: 4232 21:17:57 10.252178 0.2429 BFGS: 4233 21:17:57 10.218468 0.2410 BFGS: 4234 21:17:57 10.184931 0.2404 BFGS: 4235 21:17:58 10.151535 0.2397 BFGS: 4236 21:17:59 10.118383 0.2391 BFGS: 4237 21:17:59 10.085484 0.2384 BFGS: 4238 21:18:00 10.052826 0.2376 BFGS: 4239 21:18:00 10.020398 0.2369 BFGS: 4240 21:18:01 9.988182 0.2361 BFGS: 4241 21:18:01 9.956340 0.2353 BFGS: 4242 21:18:01 9.924873 0.2345 BFGS: 4243 21:18:02 9.893748 0.2338 BFGS: 4244 21:18:02 9.862939 0.2330 BFGS: 4245 21:18:03 9.832423 0.2322 BFGS: 4246 21:18:03 9.802178 0.2314 BFGS: 4247 21:18:04 9.772186 0.2306 BFGS: 4248 21:18:05 9.742429 0.2298 BFGS: 4249 21:18:05 9.712894 0.2290 BFGS: 4250 21:18:06 9.683567 0.2282 BFGS: 4251 21:18:07 9.654435 0.2273 BFGS: 4252 21:18:07 9.625487 0.2265 BFGS: 4253 21:18:07 9.596714 0.2256 BFGS: 4254 21:18:08 9.568106 0.2247 BFGS: 4255 21:18:08 9.539653 0.2238 BFGS: 4256 21:18:09 9.511359 0.2229 BFGS: 4257 21:18:09 9.483101 0.2220 BFGS: 4258 21:18:09 9.454888 0.2210 BFGS: 4259 21:18:09 9.426725 0.2199 BFGS: 4260 21:18:10 9.398614 0.2189 BFGS: 4261 21:18:10 9.370557 0.2178 BFGS: 4262 21:18:10 9.342558 0.2166 BFGS: 4263 21:18:10 9.314617 0.2155 BFGS: 4264 21:18:10 9.286736 0.2142 BFGS: 4265 21:18:11 9.258928 0.2130 BFGS: 4266 21:18:11 9.231217 0.2117 BFGS: 4267 21:18:11 9.203607 0.2104 BFGS: 4268 21:18:11 9.176097 0.2091 BFGS: 4269 21:18:11 9.148682 0.2077 BFGS: 4270 21:18:12 9.121387 0.2065 BFGS: 4271 21:18:12 9.094100 0.2073 BFGS: 4272 21:18:12 9.066725 0.2081 BFGS: 4273 21:18:12 9.039283 0.2088 BFGS: 4274 21:18:12 9.011792 0.2095 BFGS: 4275 21:18:12 8.984266 0.2102 BFGS: 4276 21:18:12 8.956717 0.2109 BFGS: 4277 21:18:12 8.929157 0.2115 BFGS: 4278 21:18:12 8.901598 0.2121 BFGS: 4279 21:18:13 8.874161 0.2126 BFGS: 4280 21:18:13 8.846958 0.2130 BFGS: 4281 21:18:13 8.819962 0.2138 BFGS: 4282 21:18:13 8.793151 0.2149 BFGS: 4283 21:18:13 8.766508 0.2160 BFGS: 4284 21:18:13 8.740014 0.2171 BFGS: 4285 21:18:13 8.713656 0.2182 BFGS: 4286 21:18:13 8.687421 0.2193 BFGS: 4287 21:18:14 8.661297 0.2204 BFGS: 4288 21:18:14 8.635273 0.2215 BFGS: 4289 21:18:14 8.609351 0.2226 BFGS: 4290 21:18:14 8.583500 0.2236 BFGS: 4291 21:18:14 8.557447 0.2247 BFGS: 4292 21:18:14 8.531207 0.2258 BFGS: 4293 21:18:14 8.504798 0.2269 BFGS: 4294 21:18:15 8.478232 0.2279 BFGS: 4295 21:18:15 8.451523 0.2290 BFGS: 4296 21:18:15 8.424684 0.2301 BFGS: 4297 21:18:15 8.397724 0.2311 BFGS: 4298 21:18:15 8.370654 0.2321 BFGS: 4299 21:18:15 8.343485 0.2332 BFGS: 4300 21:18:15 8.316223 0.2342 BFGS: 4301 21:18:16 8.288877 0.2352 BFGS: 4302 21:18:16 8.261455 0.2362 BFGS: 4303 21:18:16 8.233962 0.2372 BFGS: 4304 21:18:17 8.206405 0.2381 BFGS: 4305 21:18:17 8.178790 0.2391 BFGS: 4306 21:18:17 8.151122 0.2400 BFGS: 4307 21:18:17 8.123404 0.2410 BFGS: 4308 21:18:18 8.095612 0.2419 BFGS: 4309 21:18:18 8.067753 0.2428 BFGS: 4310 21:18:19 8.039835 0.2437 BFGS: 4311 21:18:19 8.011864 0.2446 BFGS: 4312 21:18:20 7.983846 0.2454 BFGS: 4313 21:18:20 7.955786 0.2462 BFGS: 4314 21:18:21 7.927692 0.2469 BFGS: 4315 21:18:21 7.899572 0.2475 BFGS: 4316 21:18:22 7.871430 0.2482 BFGS: 4317 21:18:22 7.843268 0.2488 BFGS: 4318 21:18:23 7.815101 0.2495 BFGS: 4319 21:18:23 7.786969 0.2501 BFGS: 4320 21:18:23 7.758875 0.2507 BFGS: 4321 21:18:24 7.730799 0.2513 BFGS: 4322 21:18:25 7.702784 0.2519 BFGS: 4323 21:18:25 7.674823 0.2524 BFGS: 4324 21:18:26 7.646913 0.2530 BFGS: 4325 21:18:27 7.619046 0.2536 BFGS: 4326 21:18:27 7.591231 0.2542 BFGS: 4327 21:18:28 7.563461 0.2547 BFGS: 4328 21:18:28 7.535735 0.2553 BFGS: 4329 21:18:28 7.508049 0.2558 BFGS: 4330 21:18:28 7.480401 0.2564 BFGS: 4331 21:18:28 7.452790 0.2569 BFGS: 4332 21:18:28 7.425213 0.2574 BFGS: 4333 21:18:28 7.397669 0.2579 BFGS: 4334 21:18:28 7.370169 0.2584 BFGS: 4335 21:18:29 7.342657 0.2588 BFGS: 4336 21:18:29 7.315106 0.2593 BFGS: 4337 21:18:29 7.287520 0.2597 BFGS: 4338 21:18:29 7.259903 0.2602 BFGS: 4339 21:18:29 7.232257 0.2606 BFGS: 4340 21:18:30 7.204607 0.2610 BFGS: 4341 21:18:30 7.177091 0.2614 BFGS: 4342 21:18:30 7.149753 0.2618 BFGS: 4343 21:18:30 7.122579 0.2622 BFGS: 4344 21:18:31 7.095558 0.2625 BFGS: 4345 21:18:31 7.068677 0.2629 BFGS: 4346 21:18:31 7.041926 0.2632 BFGS: 4347 21:18:31 7.015307 0.2635 BFGS: 4348 21:18:31 6.988843 0.2639 BFGS: 4349 21:18:32 6.962374 0.2643 BFGS: 4350 21:18:32 6.935925 0.2647 BFGS: 4351 21:18:32 6.909582 0.2651 BFGS: 4352 21:18:32 6.883428 0.2655 BFGS: 4353 21:18:33 6.857459 0.2659 BFGS: 4354 21:18:33 6.831689 0.2658 BFGS: 4355 21:18:34 6.806365 0.2657 BFGS: 4356 21:18:34 6.781440 0.2657 BFGS: 4357 21:18:34 6.756874 0.2657 BFGS: 4358 21:18:34 6.732647 0.2657 BFGS: 4359 21:18:35 6.708696 0.2658 BFGS: 4360 21:18:35 6.684960 0.2659 BFGS: 4361 21:18:35 6.661419 0.2660 BFGS: 4362 21:18:35 6.638055 0.2660 BFGS: 4363 21:18:36 6.614882 0.2659 BFGS: 4364 21:18:36 6.591915 0.2659 BFGS: 4365 21:18:36 6.569133 0.2658 BFGS: 4366 21:18:37 6.546521 0.2658 BFGS: 4367 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0.1258 BFGS: 4756 21:21:57 1.811129 0.1256 BFGS: 4757 21:21:57 1.803085 0.1254 BFGS: 4758 21:21:58 1.794949 0.1252 BFGS: 4759 21:21:58 1.786732 0.1249 BFGS: 4760 21:21:59 1.778442 0.1246 BFGS: 4761 21:22:00 1.770091 0.1243 BFGS: 4762 21:22:00 1.761687 0.1242 BFGS: 4763 21:22:01 1.753231 0.1242 BFGS: 4764 21:22:02 1.744729 0.1242 BFGS: 4765 21:22:02 1.736189 0.1242 BFGS: 4766 21:22:03 1.727618 0.1242 BFGS: 4767 21:22:03 1.719075 0.1241 BFGS: 4768 21:22:04 1.710608 0.1240 BFGS: 4769 21:22:04 1.702207 0.1239 BFGS: 4770 21:22:05 1.693863 0.1235 BFGS: 4771 21:22:05 1.685584 0.1230 BFGS: 4772 21:22:05 1.677372 0.1224 BFGS: 4773 21:22:06 1.669217 0.1219 BFGS: 4774 21:22:06 1.661114 0.1213 BFGS: 4775 21:22:06 1.653058 0.1207 BFGS: 4776 21:22:07 1.645044 0.1201 BFGS: 4777 21:22:07 1.637071 0.1195 BFGS: 4778 21:22:08 1.629134 0.1189 BFGS: 4779 21:22:08 1.621257 0.1183 BFGS: 4780 21:22:09 1.613474 0.1177 BFGS: 4781 21:22:09 1.605776 0.1171 BFGS: 4782 21:22:10 1.598158 0.1164 BFGS: 4783 21:22:10 1.590613 0.1158 BFGS: 4784 21:22:11 1.583135 0.1152 BFGS: 4785 21:22:12 1.575720 0.1145 BFGS: 4786 21:22:14 1.568363 0.1139 BFGS: 4787 21:22:15 1.561062 0.1132 BFGS: 4788 21:22:15 1.553816 0.1125 BFGS: 4789 21:22:16 1.546636 0.1119 BFGS: 4790 21:22:17 1.539518 0.1112 BFGS: 4791 21:22:17 1.532461 0.1105 BFGS: 4792 21:22:18 1.525460 0.1099 BFGS: 4793 21:22:18 1.518504 0.1092 BFGS: 4794 21:22:18 1.511587 0.1085 BFGS: 4795 21:22:19 1.504709 0.1078 BFGS: 4796 21:22:20 1.497871 0.1071 BFGS: 4797 21:22:21 1.491070 0.1064 BFGS: 4798 21:22:21 1.484340 0.1057 BFGS: 4799 21:22:22 1.477674 0.1050 BFGS: 4800 21:22:22 1.471068 0.1043 BFGS: 4801 21:22:22 1.464514 0.1035 BFGS: 4802 21:22:23 1.458011 0.1028 BFGS: 4803 21:22:23 1.451553 0.1021 BFGS: 4804 21:22:23 1.445139 0.1014 BFGS: 4805 21:22:23 1.438771 0.1007 BFGS: 4806 21:22:24 1.432439 0.1000 BFGS: 4807 21:22:24 1.426140 0.0993 BFGS: 4808 21:22:24 1.419871 0.0986 BFGS: 4809 21:22:24 1.413630 0.0979 BFGS: 4810 21:22:25 1.407415 0.0972 BFGS: 4811 21:22:25 1.401225 0.0965 BFGS: 4812 21:22:25 1.395058 0.0958 BFGS: 4813 21:22:26 1.388913 0.0951 BFGS: 4814 21:22:26 1.382789 0.0944 BFGS: 4815 21:22:27 1.376684 0.0937 BFGS: 4816 21:22:28 1.370598 0.0932 BFGS: 4817 21:22:28 1.364545 0.0942 BFGS: 4818 21:22:28 1.358536 0.0952 BFGS: 4819 21:22:29 1.352564 0.0962 BFGS: 4820 21:22:30 1.346626 0.0972 BFGS: 4821 21:22:30 1.340717 0.0982 BFGS: 4822 21:22:30 1.334833 0.0992 BFGS: 4823 21:22:31 1.328977 0.1002 BFGS: 4824 21:22:32 1.323177 0.1011 BFGS: 4825 21:22:32 1.317426 0.1021 BFGS: 4826 21:22:33 1.311716 0.1030 BFGS: 4827 21:22:33 1.306042 0.1039 BFGS: 4828 21:22:34 1.300398 0.1047 BFGS: 4829 21:22:34 1.294780 0.1055 BFGS: 4830 21:22:35 1.289182 0.1063 BFGS: 4831 21:22:36 1.283603 0.1071 BFGS: 4832 21:22:36 1.278038 0.1079 BFGS: 4833 21:22:37 1.272485 0.1086 BFGS: 4834 21:22:37 1.266943 0.1093 BFGS: 4835 21:22:38 1.261408 0.1099 BFGS: 4836 21:22:39 1.255879 0.1106 BFGS: 4837 21:22:39 1.250355 0.1112 BFGS: 4838 21:22:40 1.244833 0.1117 BFGS: 4839 21:22:41 1.239315 0.1123 BFGS: 4840 21:22:42 1.233800 0.1128 BFGS: 4841 21:22:42 1.228290 0.1133 BFGS: 4842 21:22:43 1.222787 0.1138 BFGS: 4843 21:22:43 1.217288 0.1142 BFGS: 4844 21:22:43 1.211792 0.1146 BFGS: 4845 21:22:44 1.206298 0.1150 BFGS: 4846 21:22:44 1.200804 0.1154 BFGS: 4847 21:22:45 1.195310 0.1158 BFGS: 4848 21:22:46 1.189814 0.1161 BFGS: 4849 21:22:47 1.184315 0.1164 BFGS: 4850 21:22:47 1.178815 0.1166 BFGS: 4851 21:22:47 1.173311 0.1167 BFGS: 4852 21:22:48 1.167811 0.1167 BFGS: 4853 21:22:49 1.162319 0.1166 BFGS: 4854 21:22:50 1.156834 0.1165 BFGS: 4855 21:22:52 1.151355 0.1164 BFGS: 4856 21:22:53 1.145881 0.1163 BFGS: 4857 21:22:55 1.140411 0.1162 BFGS: 4858 21:22:56 1.134944 0.1161 BFGS: 4859 21:22:56 1.129479 0.1160 BFGS: 4860 21:22:58 1.124017 0.1158 BFGS: 4861 21:22:59 1.118557 0.1157 BFGS: 4862 21:22:59 1.113099 0.1155 BFGS: 4863 21:23:00 1.107643 0.1153 BFGS: 4864 21:23:01 1.102187 0.1151 BFGS: 4865 21:23:01 1.096733 0.1149 BFGS: 4866 21:23:02 1.091281 0.1146 BFGS: 4867 21:23:02 1.085829 0.1144 BFGS: 4868 21:23:02 1.080379 0.1141 BFGS: 4869 21:23:03 1.074934 0.1138 BFGS: 4870 21:23:04 1.069501 0.1136 BFGS: 4871 21:23:04 1.064078 0.1132 BFGS: 4872 21:23:04 1.058664 0.1129 BFGS: 4873 21:23:05 1.053257 0.1126 BFGS: 4874 21:23:05 1.047861 0.1122 BFGS: 4875 21:23:06 1.042482 0.1119 BFGS: 4876 21:23:07 1.037129 0.1115 BFGS: 4877 21:23:08 1.031799 0.1111 BFGS: 4878 21:23:08 1.026489 0.1107 BFGS: 4879 21:23:09 1.021199 0.1103 BFGS: 4880 21:23:10 1.015926 0.1099 BFGS: 4881 21:23:11 1.010670 0.1094 BFGS: 4882 21:23:11 1.005428 0.1090 BFGS: 4883 21:23:13 1.000205 0.1085 BFGS: 4884 21:23:14 0.995022 0.1080 BFGS: 4885 21:23:15 0.989874 0.1076 BFGS: 4886 21:23:15 0.984759 0.1071 BFGS: 4887 21:23:16 0.979673 0.1066 BFGS: 4888 21:23:17 0.974614 0.1061 BFGS: 4889 21:23:18 0.969578 0.1056 BFGS: 4890 21:23:18 0.964561 0.1051 BFGS: 4891 21:23:19 0.959564 0.1046 BFGS: 4892 21:23:20 0.954584 0.1041 BFGS: 4893 21:23:20 0.949621 0.1035 BFGS: 4894 21:23:22 0.944676 0.1030 BFGS: 4895 21:23:22 0.939747 0.1025 BFGS: 4896 21:23:23 0.934835 0.1019 BFGS: 4897 21:23:24 0.929941 0.1014 BFGS: 4898 21:23:24 0.925064 0.1008 BFGS: 4899 21:23:25 0.920205 0.1003 BFGS: 4900 21:23:25 0.915364 0.0997 BFGS: 4901 21:23:25 0.910540 0.0991 BFGS: 4902 21:23:26 0.905733 0.0986 BFGS: 4903 21:23:27 0.900944 0.0980 BFGS: 4904 21:23:27 0.896172 0.0974 BFGS: 4905 21:23:28 0.891431 0.0968 BFGS: 4906 21:23:28 0.886720 0.0962 BFGS: 4907 21:23:29 0.882036 0.0956 BFGS: 4908 21:23:29 0.877379 0.0950 BFGS: 4909 21:23:30 0.872747 0.0944 BFGS: 4910 21:23:31 0.868140 0.0938 BFGS: 4911 21:23:31 0.863555 0.0932 BFGS: 4912 21:23:31 0.858993 0.0926 BFGS: 4913 21:23:32 0.854453 0.0920 BFGS: 4914 21:23:33 0.849933 0.0914 BFGS: 4915 21:23:33 0.845433 0.0908 BFGS: 4916 21:23:34 0.840953 0.0901 BFGS: 4917 21:23:35 0.836492 0.0895 BFGS: 4918 21:23:35 0.832049 0.0889 BFGS: 4919 21:23:36 0.827623 0.0890 BFGS: 4920 21:23:36 0.823217 0.0893 BFGS: 4921 21:23:37 0.818830 0.0896 BFGS: 4922 21:23:38 0.814461 0.0898 BFGS: 4923 21:23:39 0.810109 0.0901 BFGS: 4924 21:23:40 0.805775 0.0903 BFGS: 4925 21:23:40 0.801458 0.0906 BFGS: 4926 21:23:41 0.797157 0.0908 BFGS: 4927 21:23:41 0.792872 0.0910 BFGS: 4928 21:23:41 0.788603 0.0913 BFGS: 4929 21:23:42 0.784348 0.0915 BFGS: 4930 21:23:42 0.780112 0.0917 BFGS: 4931 21:23:42 0.775893 0.0919 BFGS: 4932 21:23:43 0.771692 0.0921 BFGS: 4933 21:23:44 0.767508 0.0923 BFGS: 4934 21:23:45 0.763339 0.0925 BFGS: 4935 21:23:45 0.759185 0.0926 BFGS: 4936 21:23:46 0.755047 0.0928 BFGS: 4937 21:23:46 0.750922 0.0930 BFGS: 4938 21:23:47 0.746812 0.0931 BFGS: 4939 21:23:48 0.742714 0.0933 BFGS: 4940 21:23:48 0.738626 0.0934 BFGS: 4941 21:23:49 0.734546 0.0935 BFGS: 4942 21:23:49 0.730475 0.0937 BFGS: 4943 21:23:50 0.726413 0.0938 BFGS: 4944 21:23:50 0.722360 0.0939 BFGS: 4945 21:23:50 0.718319 0.0940 BFGS: 4946 21:23:51 0.714299 0.0941 BFGS: 4947 21:23:51 0.710297 0.0941 BFGS: 4948 21:23:52 0.706314 0.0942 BFGS: 4949 21:23:52 0.702349 0.0943 BFGS: 4950 21:23:53 0.698400 0.0943 BFGS: 4951 21:23:53 0.694466 0.0944 BFGS: 4952 21:23:54 0.690553 0.0944 BFGS: 4953 21:23:54 0.686658 0.0944 BFGS: 4954 21:23:54 0.682782 0.0945 BFGS: 4955 21:23:55 0.678923 0.0945 BFGS: 4956 21:23:55 0.675082 0.0945 BFGS: 4957 21:23:56 0.671258 0.0945 BFGS: 4958 21:23:56 0.667445 0.0945 BFGS: 4959 21:23:57 0.663628 0.0945 BFGS: 4960 21:23:57 0.659809 0.0945 BFGS: 4961 21:23:57 0.655989 0.0945 BFGS: 4962 21:23:58 0.652169 0.0944 BFGS: 4963 21:23:58 0.648348 0.0944 BFGS: 4964 21:23:58 0.644529 0.0943 BFGS: 4965 21:23:59 0.640711 0.0943 BFGS: 4966 21:23:59 0.636895 0.0942 BFGS: 4967 21:24:00 0.633081 0.0941 BFGS: 4968 21:24:00 0.629268 0.0940 BFGS: 4969 21:24:00 0.625463 0.0939 BFGS: 4970 21:24:00 0.621664 0.0938 BFGS: 4971 21:24:01 0.617871 0.0937 BFGS: 4972 21:24:01 0.614085 0.0935 BFGS: 4973 21:24:01 0.610303 0.0934 BFGS: 4974 21:24:02 0.606526 0.0932 BFGS: 4975 21:24:02 0.602756 0.0931 BFGS: 4976 21:24:02 0.598990 0.0929 BFGS: 4977 21:24:03 0.595232 0.0927 BFGS: 4978 21:24:03 0.591485 0.0925 BFGS: 4979 21:24:03 0.587747 0.0923 BFGS: 4980 21:24:03 0.584019 0.0921 BFGS: 4981 21:24:04 0.580300 0.0919 BFGS: 4982 21:24:04 0.576590 0.0917 BFGS: 4983 21:24:04 0.572890 0.0915 BFGS: 4984 21:24:05 0.569200 0.0913 BFGS: 4985 21:24:05 0.565519 0.0910 BFGS: 4986 21:24:05 0.561847 0.0908 BFGS: 4987 21:24:05 0.558187 0.0906 BFGS: 4988 21:24:06 0.554540 0.0903 BFGS: 4989 21:24:06 0.550906 0.0901 BFGS: 4990 21:24:06 0.547282 0.0899 BFGS: 4991 21:24:06 0.543671 0.0896 BFGS: 4992 21:24:07 0.540071 0.0894 BFGS: 4993 21:24:07 0.536483 0.0891 BFGS: 4994 21:24:07 0.532906 0.0889 BFGS: 4995 21:24:08 0.529340 0.0886 BFGS: 4996 21:24:08 0.525784 0.0884 BFGS: 4997 21:24:08 0.522240 0.0881 BFGS: 4998 21:24:08 0.518706 0.0879 BFGS: 4999 21:24:09 0.515182 0.0876 BFGS: 5000 21:24:09 0.511669 0.0874 BFGS: 5001 21:24:09 0.508166 0.0871 BFGS: 5002 21:24:09 0.504672 0.0868 BFGS: 5003 21:24:10 0.501189 0.0866 BFGS: 5004 21:24:10 0.497714 0.0863 BFGS: 5005 21:24:10 0.494250 0.0860 BFGS: 5006 21:24:11 0.490794 0.0857 BFGS: 5007 21:24:11 0.487348 0.0855 BFGS: 5008 21:24:11 0.483910 0.0852 BFGS: 5009 21:24:12 0.480482 0.0849 BFGS: 5010 21:24:12 0.477073 0.0846 BFGS: 5011 21:24:13 0.473605 0.0843 BFGS: 5012 21:24:13 0.470080 0.0839 BFGS: 5013 21:24:13 0.466502 0.0835 BFGS: 5014 21:24:14 0.462875 0.0831 BFGS: 5015 21:24:14 0.459200 0.0827 BFGS: 5016 21:24:14 0.455481 0.0822 BFGS: 5017 21:24:15 0.451720 0.0818 BFGS: 5018 21:24:15 0.447921 0.0813 BFGS: 5019 21:24:15 0.444084 0.0807 BFGS: 5020 21:24:16 0.440214 0.0802 BFGS: 5021 21:24:16 0.436311 0.0796 BFGS: 5022 21:24:16 0.432379 0.0790 BFGS: 5023 21:24:17 0.428419 0.0784 BFGS: 5024 21:24:17 0.424436 0.0777 BFGS: 5025 21:24:17 0.420432 0.0771 BFGS: 5026 21:24:18 0.416421 0.0765 BFGS: 5027 21:24:18 0.412402 0.0761 BFGS: 5028 21:24:19 0.408378 0.0756 BFGS: 5029 21:24:19 0.404350 0.0751 BFGS: 5030 21:24:19 0.400321 0.0746 BFGS: 5031 21:24:20 0.396291 0.0741 BFGS: 5032 21:24:21 0.392262 0.0735 BFGS: 5033 21:24:21 0.388234 0.0729 BFGS: 5034 21:24:21 0.384207 0.0723 BFGS: 5035 21:24:22 0.380181 0.0717 BFGS: 5036 21:24:22 0.376159 0.0710 BFGS: 5037 21:24:23 0.372139 0.0703 BFGS: 5038 21:24:23 0.368123 0.0696 BFGS: 5039 21:24:23 0.364110 0.0688 BFGS: 5040 21:24:23 0.360102 0.0680 BFGS: 5041 21:24:24 0.356098 0.0686 BFGS: 5042 21:24:25 0.352100 0.0698 BFGS: 5043 21:24:25 0.348106 0.0709 BFGS: 5044 21:24:25 0.344118 0.0721 BFGS: 5045 21:24:25 0.340132 0.0732 BFGS: 5046 21:24:26 0.336149 0.0743 BFGS: 5047 21:24:26 0.332170 0.0754 BFGS: 5048 21:24:26 0.328201 0.0764 BFGS: 5049 21:24:26 0.324243 0.0773 BFGS: 5050 21:24:27 0.320301 0.0783 BFGS: 5051 21:24:27 0.316375 0.0792 BFGS: 5052 21:24:27 0.312463 0.0800 BFGS: 5053 21:24:27 0.308573 0.0807 BFGS: 5054 21:24:27 0.304708 0.0814 BFGS: 5055 21:24:28 0.300869 0.0821 BFGS: 5056 21:24:28 0.297053 0.0827 BFGS: 5057 21:24:28 0.293261 0.0833 BFGS: 5058 21:24:29 0.289491 0.0839 BFGS: 5059 21:24:29 0.285744 0.0844 BFGS: 5060 21:24:29 0.282019 0.0849 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0.0835 BFGS: 5089 21:24:41 0.183013 0.0829 BFGS: 5090 21:24:42 0.179979 0.0822 BFGS: 5091 21:24:43 0.176990 0.0816 BFGS: 5092 21:24:44 0.174049 0.0809 BFGS: 5093 21:24:45 0.171151 0.0802 BFGS: 5094 21:24:47 0.168297 0.0795 BFGS: 5095 21:24:48 0.165488 0.0787 BFGS: 5096 21:24:49 0.162722 0.0780 BFGS: 5097 21:24:49 0.159993 0.0772 BFGS: 5098 21:24:50 0.157285 0.0764 BFGS: 5099 21:24:50 0.154601 0.0756 BFGS: 5100 21:24:51 0.151945 0.0748 BFGS: 5101 21:24:51 0.149319 0.0739 BFGS: 5102 21:24:52 0.146740 0.0730 BFGS: 5103 21:24:52 0.144230 0.0722 BFGS: 5104 21:24:53 0.141787 0.0713 BFGS: 5105 21:24:53 0.139407 0.0703 BFGS: 5106 21:24:54 0.137088 0.0694 BFGS: 5107 21:24:54 0.134825 0.0685 BFGS: 5108 21:24:54 0.132615 0.0675 BFGS: 5109 21:24:55 0.130457 0.0665 BFGS: 5110 21:24:55 0.128353 0.0656 BFGS: 5111 21:24:55 0.126288 0.0645 BFGS: 5112 21:24:56 0.124257 0.0635 BFGS: 5113 21:24:56 0.122253 0.0625 BFGS: 5114 21:24:56 0.120297 0.0614 BFGS: 5115 21:24:57 0.118365 0.0603 BFGS: 5116 21:24:58 0.116452 0.0592 BFGS: 5117 21:24:58 0.114557 0.0581 BFGS: 5118 21:24:59 0.112688 0.0569 BFGS: 5119 21:24:59 0.110811 0.0558 BFGS: 5120 21:25:00 0.108919 0.0548 BFGS: 5121 21:25:01 0.107006 0.0537 BFGS: 5122 21:25:02 0.105070 0.0526 BFGS: 5123 21:25:02 0.103118 0.0514 BFGS: 5124 21:25:03 0.101147 0.0502 BFGS: 5125 21:25:03 0.099153 0.0490 BFGS: 5126 21:25:03 0.097134 0.0477 BFGS: 5127 21:25:04 0.095085 0.0464 BFGS: 5128 21:25:05 0.093003 0.0450 BFGS: 5129 21:25:05 0.090899 0.0442 BFGS: 5130 21:25:06 0.088774 0.0440 BFGS: 5131 21:25:06 0.086623 0.0438 BFGS: 5132 21:25:07 0.084450 0.0436 BFGS: 5133 21:25:07 0.082249 0.0433 BFGS: 5134 21:25:08 0.079993 0.0430 BFGS: 5135 21:25:08 0.077637 0.0427 BFGS: 5136 21:25:09 0.075180 0.0423 BFGS: 5137 21:25:10 0.072631 0.0418 BFGS: 5138 21:25:10 0.069982 0.0412 BFGS: 5139 21:25:11 0.067232 0.0405 BFGS: 5140 21:25:11 0.064400 0.0397 BFGS: 5141 21:25:11 0.061503 0.0411 BFGS: 5142 21:25:12 0.058564 0.0425 BFGS: 5143 21:25:13 0.055597 0.0438 BFGS: 5144 21:25:13 0.052566 0.0449 BFGS: 5145 21:25:14 0.049475 0.0457 BFGS: 5146 21:25:14 0.046329 0.0461 BFGS: 5147 21:25:15 0.043124 0.0460 BFGS: 5148 21:25:15 0.039826 0.0451 BFGS: 5149 21:25:16 0.036424 0.0429 BFGS: 5150 21:25:17 0.032747 0.0412 BFGS: 5151 21:25:18 0.029061 0.0494 BFGS: 5152 21:25:18 0.025735 0.0568 BFGS: 5153 21:25:19 0.023836 0.0591 BFGS: 5154 21:25:20 0.020770 0.0577 BFGS: 5155 21:25:21 0.017430 0.0479 BFGS: 5156 21:25:21 0.016311 0.0370 BFGS: 5157 21:25:22 0.015669 0.0316 BFGS: 5158 21:25:22 0.015075 0.0281 BFGS: 5159 21:25:22 0.014563 0.0258 BFGS: 5160 21:25:23 0.014086 0.0241 BFGS: 5161 21:25:23 0.013629 0.0227 BFGS: 5162 21:25:23 0.013188 0.0215 BFGS: 5163 21:25:24 0.012760 0.0203 BFGS: 5164 21:25:24 0.012343 0.0191 BFGS: 5165 21:25:24 0.011937 0.0180 BFGS: 5166 21:25:25 0.011541 0.0170 BFGS: 5167 21:25:25 0.011156 0.0174 BFGS: 5168 21:25:25 0.010779 0.0179 BFGS: 5169 21:25:26 0.010411 0.0182 BFGS: 5170 21:25:26 0.010051 0.0186 BFGS: 5171 21:25:27 0.009699 0.0189 BFGS: 5172 21:25:27 0.009352 0.0191 BFGS: 5173 21:25:28 0.009007 0.0193 BFGS: 5174 21:25:28 0.008659 0.0195 BFGS: 5175 21:25:29 0.008304 0.0196 BFGS: 5176 21:25:29 0.007927 0.0194 BFGS: 5177 21:25:30 0.007541 0.0192 BFGS: 5178 21:25:30 0.007163 0.0188 BFGS: 5179 21:25:31 0.006756 0.0178 BFGS: 5180 21:25:31 0.006285 0.0159 BFGS: 5181 21:25:32 0.005771 0.0128 BFGS: 5182 21:25:33 0.005076 0.0136 BFGS: 5183 21:25:33 0.004657 0.0143 BFGS: 5184 21:25:34 0.004327 0.0146 BFGS: 5185 21:25:34 0.004043 0.0148 BFGS: 5186 21:25:35 0.003795 0.0147 BFGS: 5187 21:25:35 0.003579 0.0145 BFGS: 5188 21:25:35 0.003381 0.0141 BFGS: 5189 21:25:35 0.003195 0.0134 BFGS: 5190 21:25:36 0.003014 0.0125 BFGS: 5191 21:25:36 0.002837 0.0098 BFGS: 5192 21:25:37 0.002662 0.0091 BFGS: 5193 21:25:37 0.002481 0.0087 BFGS: 5194 21:25:38 0.002222 0.0081 BFGS: 5195 21:25:39 0.002045 0.0077 BFGS: 5196 21:25:40 0.001895 0.0074 BFGS: 5197 21:25:41 0.001755 0.0071 BFGS: 5198 21:25:42 0.001626 0.0069 BFGS: 5199 21:25:43 0.001506 0.0068 BFGS: 5200 21:25:43 0.001395 0.0065 BFGS: 5201 21:25:43 0.001291 0.0065 BFGS: 5202 21:25:44 0.001195 0.0063 BFGS: 5203 21:25:44 0.001105 0.0062 BFGS: 5204 21:25:45 0.001017 0.0060 BFGS: 5205 21:25:46 0.000933 0.0057 BFGS: 5206 21:25:46 0.000853 0.0054 BFGS: 5207 21:25:46 0.000778 0.0051 BFGS: 5208 21:25:47 0.000712 0.0048 BFGS: 5209 21:25:47 0.000655 0.0045 BFGS: 5210 21:25:47 0.000608 0.0051 BFGS: 5211 21:25:47 0.000569 0.0059 BFGS: 5212 21:25:48 0.000532 0.0066 BFGS: 5213 21:25:49 0.000489 0.0070 BFGS: 5214 21:25:49 0.000408 0.0071 BFGS: 5215 21:25:50 0.000320 0.0064 BFGS: 5216 21:25:50 0.000213 0.0047 BFGS: 5217 21:25:51 0.000099 0.0026 BFGS: 5218 21:25:51 0.000057 0.0021 BFGS: 5219 21:25:52 0.000036 0.0015 BFGS: 5220 21:25:52 0.000022 0.0012 BFGS: 5221 21:25:52 0.000015 0.0012 BFGS: 5222 21:25:53 0.000014 0.0014 BFGS: 5223 21:25:53 0.000012 0.0015 BFGS: 5224 21:25:54 0.000010 0.0015 BFGS: 5225 21:25:55 0.000008 0.0013 BFGS: 5226 21:25:56 0.000006 0.0011 BFGS: 5227 21:25:57 0.000005 0.0007 BFGS: 5228 21:25:58 0.000004 0.0005 BFGS: 5229 21:25:58 0.000003 0.0004 BFGS: 5230 21:26:00 0.000003 0.0004 BFGS: 5231 21:26:00 0.000002 0.0003 BFGS: 5232 21:26:01 0.000001 0.0002 BFGS: 5233 21:26:02 0.000000 0.0001 BFGS: 5234 21:26:03 0.000000 0.0000 BFGS: 5235 21:26:04 0.000000 0.0000 BFGS: 5236 21:26:05 0.000000 0.0000 BFGS: 5237 21:26:05 0.000000 0.0000 Minimization converged after 5237 steps. Maximum force component: 5.8789954149484214e-15 eV/Angstrom Maximum stress component: 2.5935802209093885e-18 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 = [[3.95865293e-17 6.44892323e-01 2.50000000e-01] [5.00000000e-01 1.44892323e-01 2.50000000e-01] [2.18463028e-16 3.55107677e-01 7.50000000e-01] [5.00000000e-01 8.55107677e-01 7.50000000e-01] [3.35924970e-01 9.38054898e-02 8.11386585e-01] [6.64075030e-01 9.38054898e-02 6.88613415e-01] [8.35924970e-01 5.93805490e-01 8.11386585e-01] [1.64075030e-01 5.93805490e-01 6.88613415e-01] [6.64075030e-01 9.06194510e-01 1.88613415e-01] [3.35924970e-01 9.06194510e-01 3.11386585e-01] [1.64075030e-01 4.06194510e-01 1.88613415e-01] [8.35924970e-01 4.06194510e-01 3.11386585e-01] [3.34838182e-01 7.19084917e-01 4.14653023e-01] [6.65161818e-01 7.19084917e-01 8.53469768e-02] [8.34838182e-01 2.19084917e-01 4.14653023e-01] [1.65161818e-01 2.19084917e-01 8.53469768e-02] [6.65161818e-01 2.80915083e-01 5.85346977e-01] [3.34838182e-01 2.80915083e-01 9.14653023e-01] [1.65161818e-01 7.80915083e-01 5.85346977e-01] [8.34838182e-01 7.80915083e-01 9.14653023e-01] [5.91466583e-02 2.18495924e-01 2.36035545e-01] [9.40853342e-01 2.18495924e-01 2.63964455e-01] [5.59146658e-01 7.18495924e-01 2.36035545e-01] [4.40853342e-01 7.18495924e-01 2.63964455e-01] [9.40853342e-01 7.81504076e-01 7.63964455e-01] [5.91466583e-02 7.81504076e-01 7.36035545e-01] [4.40853342e-01 2.81504076e-01 7.63964455e-01] [5.59146658e-01 2.81504076e-01 7.36035545e-01] [2.18782983e-01 8.90792487e-01 3.72471280e-01] [7.81217017e-01 8.90792487e-01 1.27528720e-01] [7.18782983e-01 3.90792487e-01 3.72471280e-01] [2.81217017e-01 3.90792487e-01 1.27528720e-01] [7.81217017e-01 1.09207513e-01 6.27528720e-01] [2.18782983e-01 1.09207513e-01 8.72471280e-01] [2.81217017e-01 6.09207513e-01 6.27528720e-01] [7.18782983e-01 6.09207513e-01 8.72471280e-01] [6.20351490e-01 5.98322117e-01 5.08035718e-01] [3.79648510e-01 5.98322117e-01 9.91964282e-01] [1.20351490e-01 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9.78323156e-01 3.06356385e-01] [5.55508230e-01 9.78323156e-01 1.93643615e-01] [6.31095926e-01 5.11802882e-01 2.49111878e-01] [3.68904074e-01 5.11802882e-01 2.50888122e-01] [1.31095926e-01 1.18028824e-02 2.49111878e-01] [8.68904074e-01 1.18028824e-02 2.50888122e-01] [3.68904074e-01 4.88197118e-01 7.50888122e-01] [6.31095926e-01 4.88197118e-01 7.49111878e-01] [8.68904074e-01 9.88197118e-01 7.50888122e-01] [1.31095926e-01 9.88197118e-01 7.49111878e-01] [2.56259285e-01 1.68035186e-03 6.06289723e-01] [7.43740715e-01 1.68035186e-03 8.93710277e-01] [7.56259285e-01 5.01680352e-01 6.06289723e-01] [2.43740715e-01 5.01680352e-01 8.93710277e-01] [7.43740715e-01 9.98319648e-01 3.93710277e-01] [2.56259285e-01 9.98319648e-01 1.06289723e-01] [2.43740715e-01 4.98319648e-01 3.93710277e-01] [7.56259285e-01 4.98319648e-01 1.06289723e-01] [6.17519039e-01 2.92307578e-01 2.89709460e-01] [3.82480961e-01 2.92307578e-01 2.10290540e-01] [1.17519039e-01 7.92307578e-01 2.89709460e-01] [8.82480961e-01 7.92307578e-01 2.10290540e-01] [3.82480961e-01 7.07692422e-01 7.10290540e-01] [6.17519039e-01 7.07692422e-01 7.89709460e-01] [8.82480961e-01 2.07692422e-01 7.10290540e-01] [1.17519039e-01 2.07692422e-01 7.89709460e-01] [9.11704387e-01 8.58480452e-02 4.88673418e-01] [8.82956133e-02 8.58480452e-02 1.13265821e-02] [4.11704387e-01 5.85848045e-01 4.88673418e-01] [5.88295613e-01 5.85848045e-01 1.13265821e-02] [8.82956133e-02 9.14151955e-01 5.11326582e-01] [9.11704387e-01 9.14151955e-01 9.88673418e-01] [5.88295613e-01 4.14151955e-01 5.11326582e-01] [4.11704387e-01 4.14151955e-01 9.88673418e-01] [5.82137785e-01 8.34960753e-01 9.93548391e-01] [4.17862215e-01 8.34960753e-01 5.06451609e-01] [8.21377845e-02 3.34960753e-01 9.93548391e-01] [9.17862215e-01 3.34960753e-01 5.06451609e-01] [4.17862215e-01 1.65039247e-01 6.45160944e-03] [5.82137785e-01 1.65039247e-01 4.93548391e-01] [9.17862215e-01 6.65039247e-01 6.45160944e-03] [8.21377845e-02 6.65039247e-01 4.93548391e-01]] cellpar = Cell([[63.00693745033943, 2.6797868228716236e-18, 0.13796512798270494], [5.854972631047939e-18, 38.5040352100436, -3.160179362949243e-16], [1.9161206702164362, -2.008823152141691e-16, 25.339370027170276]]) 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] [ 5.87899541e-15 1.98944528e-32 -2.46366501e-15] [-5.87899541e-15 -1.98944528e-32 2.46366501e-15] [ 5.87899541e-15 1.98944528e-32 -2.46366501e-15] [-5.87899541e-15 -1.98944528e-32 2.46366501e-15] [-5.87899541e-15 -1.98944528e-32 2.46366501e-15] [ 5.87899541e-15 1.98944528e-32 -2.46366501e-15] [-5.87899541e-15 -1.98944528e-32 2.46366501e-15] [ 5.87899541e-15 1.98944528e-32 -2.46366501e-15] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00]] stress = [-2.59358022e-18 -2.01621570e-48 -4.55466828e-19 -6.66788232e-35 1.08687155e-18 1.59114366e-34] 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