element(s): ['Si'] AFLOW prototype label: A_hP58_164_2d3i3j Parameter names: ['a', 'c/a', 'z1', 'z2', 'x3', 'z3', 'x4', 'z4', 'x5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['10.017', '1.6093441', '0.42717347', '0.57149774', '0.13353688', '0.49951896', '0.20865981', '0.62176631', '0.20852652', '0.37695719', '0.38057577', '0.3795477', '0.29513767', '0.00061200299', '0.24460663', '0.17356382', '0.33353138', '0.4211924', '0.058121322'] model name: Sim_LAMMPS_Vashishta_VashishtaKaliaRino_1990_SiO__SM_887826436433_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0.33333333 0.66666667 0.42717347] [0.33333333 0.66666667 0.57149774] [0.13353688 0.86646312 0.49951896] [0.20865981 0.79134019 0.62176631] [0.20852652 0.79147348 0.37695719] [0.6204523 0.00102807 0.29513767] [0.75539337 0.75600537 0.17356382] [0.5788076 0.91233898 0.05812132]] spacegroup = 164 cell = [[10.017, 0, 0], [-5.0085, 8.6749764697087, 0], [0, 0, 16.1208]] ========================================= Step Time Energy fmax BFGS: 0 15:36:54 3963.814280 75.2080 BFGS: 1 15:36:54 3951.797861 74.9380 BFGS: 2 15:36:54 3939.943886 74.6714 BFGS: 3 15:36:54 3928.219359 74.4074 BFGS: 4 15:36:54 3916.603542 74.1452 BFGS: 5 15:36:54 3905.081018 73.8846 BFGS: 6 15:36:54 3893.639908 73.6257 BFGS: 7 15:36:54 3882.271864 73.3682 BFGS: 8 15:36:54 3870.970449 73.1120 BFGS: 9 15:36:54 3859.731148 72.8568 BFGS: 10 15:36:54 3848.550422 72.6025 BFGS: 11 15:36:54 3837.425439 72.3495 BFGS: 12 15:36:54 3826.354042 72.0977 BFGS: 13 15:36:55 3815.334519 71.8470 BFGS: 14 15:36:55 3804.365444 71.5972 BFGS: 15 15:36:55 3793.445455 71.3482 BFGS: 16 15:36:55 3782.573363 71.1004 BFGS: 17 15:36:55 3771.747933 70.8538 BFGS: 18 15:36:55 3760.968082 70.6081 BFGS: 19 15:36:55 3750.232564 70.3633 BFGS: 20 15:36:55 3739.540307 70.1193 BFGS: 21 15:36:55 3728.890481 69.8759 BFGS: 22 15:36:55 3718.282383 69.6333 BFGS: 23 15:36:55 3707.715379 69.3913 BFGS: 24 15:36:55 3697.188871 69.1504 BFGS: 25 15:36:55 3686.702425 68.9102 BFGS: 26 15:36:55 3676.255567 68.6707 BFGS: 27 15:36:55 3665.847786 68.4319 BFGS: 28 15:36:55 3655.478614 68.1936 BFGS: 29 15:36:55 3645.147611 67.9562 BFGS: 30 15:36:55 3634.854420 67.7194 BFGS: 31 15:36:55 3624.598642 67.4837 BFGS: 32 15:36:57 3614.379443 67.2487 BFGS: 33 15:36:57 3604.196355 67.0145 BFGS: 34 15:36:57 3594.049266 66.7816 BFGS: 35 15:36:58 3583.938256 66.5503 BFGS: 36 15:36:58 3573.863846 66.3198 BFGS: 37 15:36:59 3563.825771 66.0900 BFGS: 38 15:36:59 3553.823622 65.8608 BFGS: 39 15:37:00 3543.856991 65.6322 BFGS: 40 15:37:00 3533.925457 65.4042 BFGS: 41 15:37:00 3524.028511 65.1771 BFGS: 42 15:37:00 3514.165576 64.9506 BFGS: 43 15:37:01 3504.335765 64.7248 BFGS: 44 15:37:01 3494.538114 64.5000 BFGS: 45 15:37:01 3484.772021 64.2766 BFGS: 46 15:37:01 3475.036714 64.0548 BFGS: 47 15:37:01 3465.331670 63.8344 BFGS: 48 15:37:01 3455.656873 63.6154 BFGS: 49 15:37:02 3446.012085 63.3974 BFGS: 50 15:37:02 3436.395986 63.1803 BFGS: 51 15:37:02 3426.807466 62.9649 BFGS: 52 15:37:02 3417.244386 62.7499 BFGS: 53 15:37:02 3407.704901 62.5357 BFGS: 54 15:37:02 3398.187794 62.3227 BFGS: 55 15:37:02 3388.691768 62.1119 BFGS: 56 15:37:02 3379.215704 61.9015 BFGS: 57 15:37:03 3369.758329 61.6916 BFGS: 58 15:37:03 3360.318243 61.4820 BFGS: 59 15:37:03 3350.893878 61.2740 BFGS: 60 15:37:03 3341.483191 61.0664 BFGS: 61 15:37:03 3332.084677 60.8591 BFGS: 62 15:37:03 3322.696993 60.6523 BFGS: 63 15:37:04 3313.319064 60.4465 BFGS: 64 15:37:04 3303.950348 60.2412 BFGS: 65 15:37:04 3294.588886 60.0367 BFGS: 66 15:37:04 3285.231601 59.8332 BFGS: 67 15:37:04 3275.879251 59.6300 BFGS: 68 15:37:05 3266.531449 59.4270 BFGS: 69 15:37:05 3257.185989 59.2243 BFGS: 70 15:37:05 3247.843651 59.0224 BFGS: 71 15:37:05 3238.504462 58.8210 BFGS: 72 15:37:05 3229.169746 58.6205 BFGS: 73 15:37:05 3219.840519 58.4216 BFGS: 74 15:37:06 3210.518401 58.2239 BFGS: 75 15:37:06 3201.206006 58.0269 BFGS: 76 15:37:06 3191.906201 57.8309 BFGS: 77 15:37:06 3182.621551 57.6352 BFGS: 78 15:37:06 3173.353787 57.4400 BFGS: 79 15:37:06 3164.104553 57.2451 BFGS: 80 15:37:07 3154.876617 57.0507 BFGS: 81 15:37:07 3145.671434 56.8581 BFGS: 82 15:37:07 3136.489083 56.6670 BFGS: 83 15:37:07 3127.330418 56.4765 BFGS: 84 15:37:07 3118.197471 56.2887 BFGS: 85 15:37:07 3109.091024 56.1019 BFGS: 86 15:37:08 3100.012974 55.9163 BFGS: 87 15:37:08 3090.965163 55.7313 BFGS: 88 15:37:08 3081.949966 55.5470 BFGS: 89 15:37:08 3072.969521 55.3633 BFGS: 90 15:37:08 3064.025254 55.1827 BFGS: 91 15:37:08 3055.119380 55.0026 BFGS: 92 15:37:08 3046.252481 54.8243 BFGS: 93 15:37:08 3037.423396 54.6469 BFGS: 94 15:37:08 3028.632829 54.4722 BFGS: 95 15:37:09 3019.876683 54.2986 BFGS: 96 15:37:09 3011.154857 54.1259 BFGS: 97 15:37:09 3002.467970 53.9538 BFGS: 98 15:37:09 2993.816556 53.7825 BFGS: 99 15:37:09 2985.200570 53.6127 BFGS: 100 15:37:09 2976.619680 53.4431 BFGS: 101 15:37:09 2968.074021 53.2737 BFGS: 102 15:37:09 2959.563027 53.1048 BFGS: 103 15:37:09 2951.083927 52.9369 BFGS: 104 15:37:09 2942.637546 52.7704 BFGS: 105 15:37:09 2934.221929 52.6043 BFGS: 106 15:37:09 2925.837090 52.4389 BFGS: 107 15:37:09 2917.483967 52.2736 BFGS: 108 15:37:09 2909.159970 52.1095 BFGS: 109 15:37:09 2900.861557 51.9455 BFGS: 110 15:37:10 2892.590367 51.7817 BFGS: 111 15:37:10 2884.348203 51.6183 BFGS: 112 15:37:10 2876.137187 51.4553 BFGS: 113 15:37:10 2867.958916 51.2933 BFGS: 114 15:37:10 2859.814306 51.1314 BFGS: 115 15:37:10 2851.705236 50.9696 BFGS: 116 15:37:10 2843.633263 50.8079 BFGS: 117 15:37:10 2835.600139 50.6464 BFGS: 118 15:37:10 2827.607884 50.4850 BFGS: 119 15:37:10 2819.658492 50.3239 BFGS: 120 15:37:10 2811.753904 50.1632 BFGS: 121 15:37:10 2803.896022 50.0031 BFGS: 122 15:37:10 2796.086407 49.8453 BFGS: 123 15:37:10 2788.326417 49.6880 BFGS: 124 15:37:10 2780.617098 49.5314 BFGS: 125 15:37:10 2772.959327 49.3774 BFGS: 126 15:37:10 2765.352477 49.2244 BFGS: 127 15:37:10 2757.796069 49.0722 BFGS: 128 15:37:10 2750.288130 48.9205 BFGS: 129 15:37:10 2742.828446 48.7713 BFGS: 130 15:37:11 2735.414416 48.6239 BFGS: 131 15:37:11 2728.045609 48.4780 BFGS: 132 15:37:11 2720.719375 48.3325 BFGS: 133 15:37:11 2713.435400 48.1887 BFGS: 134 15:37:11 2706.193834 48.0454 BFGS: 135 15:37:11 2698.993989 47.9030 BFGS: 136 15:37:11 2691.835204 47.7623 BFGS: 137 15:37:11 2684.716527 47.6222 BFGS: 138 15:37:11 2677.636822 47.4829 BFGS: 139 15:37:11 2670.595217 47.3447 BFGS: 140 15:37:11 2663.590644 47.2070 BFGS: 141 15:37:11 2656.621658 47.0694 BFGS: 142 15:37:11 2649.686499 46.9322 BFGS: 143 15:37:11 2642.783410 46.7955 BFGS: 144 15:37:11 2635.910412 46.6591 BFGS: 145 15:37:11 2629.065372 46.5224 BFGS: 146 15:37:11 2622.245912 46.3855 BFGS: 147 15:37:11 2615.449556 46.2483 BFGS: 148 15:37:11 2608.673074 46.1116 BFGS: 149 15:37:11 2601.910790 45.9746 BFGS: 150 15:37:11 2595.160232 45.8371 BFGS: 151 15:37:12 2588.418000 45.7000 BFGS: 152 15:37:12 2581.682040 45.5624 BFGS: 153 15:37:12 2574.949900 45.4246 BFGS: 154 15:37:12 2568.213832 45.2867 BFGS: 155 15:37:12 2561.471605 45.1485 BFGS: 156 15:37:12 2554.724223 45.0095 BFGS: 157 15:37:12 2547.972698 44.8706 BFGS: 158 15:37:12 2541.218754 44.7324 BFGS: 159 15:37:12 2534.461592 44.5946 BFGS: 160 15:37:12 2527.702921 44.4566 BFGS: 161 15:37:12 2520.944288 44.3177 BFGS: 162 15:37:12 2514.187597 44.1778 BFGS: 163 15:37:12 2507.435074 44.0373 BFGS: 164 15:37:12 2500.689187 43.8962 BFGS: 165 15:37:12 2493.952044 43.7546 BFGS: 166 15:37:12 2487.225419 43.6124 BFGS: 167 15:37:12 2480.512110 43.4701 BFGS: 168 15:37:12 2473.813237 43.3293 BFGS: 169 15:37:12 2467.129161 43.1884 BFGS: 170 15:37:12 2460.461233 43.0482 BFGS: 171 15:37:12 2453.812989 42.9078 BFGS: 172 15:37:12 2447.187663 42.7676 BFGS: 173 15:37:12 2440.587247 42.6278 BFGS: 174 15:37:12 2434.012978 42.4894 BFGS: 175 15:37:12 2427.465177 42.3513 BFGS: 176 15:37:12 2420.946012 42.2137 BFGS: 177 15:37:12 2414.457011 42.0768 BFGS: 178 15:37:12 2408.000343 41.9408 BFGS: 179 15:37:12 2401.578832 41.8055 BFGS: 180 15:37:12 2395.194846 41.6728 BFGS: 181 15:37:12 2388.848638 41.5413 BFGS: 182 15:37:13 2382.540074 41.4101 BFGS: 183 15:37:13 2376.269566 41.2795 BFGS: 184 15:37:13 2370.036493 41.1496 BFGS: 185 15:37:13 2363.841070 41.0198 BFGS: 186 15:37:13 2357.683458 40.8909 BFGS: 187 15:37:13 2351.562263 40.7643 BFGS: 188 15:37:13 2345.477821 40.6386 BFGS: 189 15:37:13 2339.430281 40.5130 BFGS: 190 15:37:13 2333.419662 40.3877 BFGS: 191 15:37:13 2327.445923 40.2626 BFGS: 192 15:37:13 2321.508940 40.1381 BFGS: 193 15:37:13 2315.608764 40.0146 BFGS: 194 15:37:13 2309.745484 39.8913 BFGS: 195 15:37:13 2303.918756 39.7690 BFGS: 196 15:37:13 2298.128260 39.6472 BFGS: 197 15:37:13 2292.372363 39.5257 BFGS: 198 15:37:13 2286.650481 39.4043 BFGS: 199 15:37:13 2280.962318 39.2833 BFGS: 200 15:37:13 2275.306811 39.1631 BFGS: 201 15:37:14 2269.682155 39.0437 BFGS: 202 15:37:14 2264.085994 38.9243 BFGS: 203 15:37:14 2258.516114 38.8053 BFGS: 204 15:37:14 2252.972253 38.6865 BFGS: 205 15:37:14 2247.454259 38.5678 BFGS: 206 15:37:14 2241.961788 38.4493 BFGS: 207 15:37:14 2236.494110 38.3314 BFGS: 208 15:37:14 2231.048641 38.2138 BFGS: 209 15:37:14 2225.623665 38.0963 BFGS: 210 15:37:14 2220.219052 37.9789 BFGS: 211 15:37:14 2214.834820 37.8623 BFGS: 212 15:37:14 2209.471722 37.7460 BFGS: 213 15:37:14 2204.129659 37.6297 BFGS: 214 15:37:14 2198.808150 37.5135 BFGS: 215 15:37:14 2193.506083 37.3976 BFGS: 216 15:37:14 2188.221063 37.2819 BFGS: 217 15:37:14 2182.952405 37.1664 BFGS: 218 15:37:14 2177.699639 37.0509 BFGS: 219 15:37:14 2172.461900 36.9366 BFGS: 220 15:37:14 2167.237341 36.8234 BFGS: 221 15:37:14 2162.023915 36.7104 BFGS: 222 15:37:14 2156.820635 36.5986 BFGS: 223 15:37:14 2151.627126 36.4871 BFGS: 224 15:37:14 2146.442615 36.3755 BFGS: 225 15:37:14 2141.266231 36.2641 BFGS: 226 15:37:14 2136.096488 36.1541 BFGS: 227 15:37:14 2130.931700 36.0441 BFGS: 228 15:37:14 2125.770735 35.9352 BFGS: 229 15:37:14 2120.612417 35.8270 BFGS: 230 15:37:15 2115.454941 35.7201 BFGS: 231 15:37:15 2110.297035 35.6140 BFGS: 232 15:37:15 2105.138519 35.5103 BFGS: 233 15:37:15 2099.980180 35.4070 BFGS: 234 15:37:15 2094.821890 35.3041 BFGS: 235 15:37:15 2089.663921 35.2011 BFGS: 236 15:37:15 2084.506163 35.0985 BFGS: 237 15:37:15 2079.349274 34.9972 BFGS: 238 15:37:15 2074.194633 34.8963 BFGS: 239 15:37:15 2069.043722 34.7964 BFGS: 240 15:37:15 2063.898621 34.6967 BFGS: 241 15:37:15 2058.758457 34.5970 BFGS: 242 15:37:15 2053.619813 34.4970 BFGS: 243 15:37:15 2048.481723 34.3971 BFGS: 244 15:37:15 2043.341868 34.2979 BFGS: 245 15:37:15 2038.196752 34.1995 BFGS: 246 15:37:15 2033.043235 34.1018 BFGS: 247 15:37:15 2027.877126 34.0037 BFGS: 248 15:37:15 2022.697203 33.9055 BFGS: 249 15:37:15 2017.502057 33.8077 BFGS: 250 15:37:15 2012.288141 33.7106 BFGS: 251 15:37:15 2007.052028 33.6145 BFGS: 252 15:37:15 2001.791985 33.5191 BFGS: 253 15:37:15 1996.504573 33.4241 BFGS: 254 15:37:15 1991.188183 33.3285 BFGS: 255 15:37:15 1985.841642 33.2332 BFGS: 256 15:37:15 1980.462230 33.1386 BFGS: 257 15:37:15 1975.047939 33.0440 BFGS: 258 15:37:15 1969.598588 32.9486 BFGS: 259 15:37:15 1964.111154 32.8523 BFGS: 260 15:37:15 1958.578050 32.7563 BFGS: 261 15:37:15 1953.227586 32.6628 BFGS: 262 15:37:15 1948.153692 32.5731 BFGS: 263 15:37:15 1942.852836 32.4748 BFGS: 264 15:37:15 1937.403271 32.3775 BFGS: 265 15:37:15 1932.225347 32.2807 BFGS: 266 15:37:15 1927.296282 32.1879 BFGS: 267 15:37:15 1922.424823 32.0963 BFGS: 268 15:37:15 1917.620581 32.0060 BFGS: 269 15:37:15 1912.873436 31.9161 BFGS: 270 15:37:15 1908.174583 31.8269 BFGS: 271 15:37:15 1903.514566 31.7377 BFGS: 272 15:37:15 1898.889409 31.6484 BFGS: 273 15:37:15 1894.295625 31.5591 BFGS: 274 15:37:15 1889.730595 31.4698 BFGS: 275 15:37:15 1885.192572 31.3811 BFGS: 276 15:37:15 1880.682000 31.2930 BFGS: 277 15:37:15 1876.198535 31.2048 BFGS: 278 15:37:15 1871.740916 31.1166 BFGS: 279 15:37:15 1867.308783 31.0287 BFGS: 280 15:37:15 1862.904200 30.9408 BFGS: 281 15:37:15 1858.524059 30.8532 BFGS: 282 15:37:15 1854.167550 30.7658 BFGS: 283 15:37:15 1849.835212 30.6797 BFGS: 284 15:37:15 1845.525496 30.5947 BFGS: 285 15:37:15 1841.237047 30.5097 BFGS: 286 15:37:15 1836.969478 30.4252 BFGS: 287 15:37:16 1832.722003 30.3408 BFGS: 288 15:37:16 1828.496270 30.2571 BFGS: 289 15:37:16 1824.293784 30.1734 BFGS: 290 15:37:16 1820.112209 30.0904 BFGS: 291 15:37:16 1815.950708 30.0078 BFGS: 292 15:37:16 1811.808209 29.9254 BFGS: 293 15:37:16 1807.683820 29.8437 BFGS: 294 15:37:16 1803.575702 29.7629 BFGS: 295 15:37:16 1799.480603 29.6821 BFGS: 296 15:37:16 1795.400663 29.6013 BFGS: 297 15:37:16 1791.335370 29.5214 BFGS: 298 15:37:16 1787.284997 29.4417 BFGS: 299 15:37:16 1783.248738 29.3622 BFGS: 300 15:37:16 1779.226781 29.2827 BFGS: 301 15:37:16 1775.218403 29.2037 BFGS: 302 15:37:16 1771.220036 29.1250 BFGS: 303 15:37:16 1767.231399 29.0462 BFGS: 304 15:37:16 1763.253531 28.9673 BFGS: 305 15:37:16 1759.286373 28.8884 BFGS: 306 15:37:16 1755.330946 28.8094 BFGS: 307 15:37:16 1751.386238 28.7303 BFGS: 308 15:37:16 1747.451767 28.6511 BFGS: 309 15:37:16 1743.527138 28.5720 BFGS: 310 15:37:16 1739.611608 28.4928 BFGS: 311 15:37:16 1735.704938 28.4135 BFGS: 312 15:37:16 1731.806914 28.3341 BFGS: 313 15:37:16 1727.917263 28.2546 BFGS: 314 15:37:16 1724.035692 28.1750 BFGS: 315 15:37:16 1720.161653 28.0955 BFGS: 316 15:37:16 1716.295246 28.0158 BFGS: 317 15:37:16 1712.436863 27.9360 BFGS: 318 15:37:16 1708.587070 27.8564 BFGS: 319 15:37:16 1704.746624 27.7772 BFGS: 320 15:37:16 1700.917369 27.6980 BFGS: 321 15:37:16 1697.099328 27.6188 BFGS: 322 15:37:16 1693.289698 27.5401 BFGS: 323 15:37:16 1689.485867 27.4613 BFGS: 324 15:37:16 1685.689648 27.3825 BFGS: 325 15:37:16 1681.901036 27.3040 BFGS: 326 15:37:16 1678.122425 27.2257 BFGS: 327 15:37:16 1674.354785 27.1483 BFGS: 328 15:37:16 1670.599835 27.0724 BFGS: 329 15:37:16 1666.865525 26.9968 BFGS: 330 15:37:16 1663.137106 26.9213 BFGS: 331 15:37:16 1659.402905 26.8457 BFGS: 332 15:37:16 1655.673103 26.7704 BFGS: 333 15:37:16 1651.951773 26.6950 BFGS: 334 15:37:16 1648.237894 26.6207 BFGS: 335 15:37:16 1644.516776 26.5470 BFGS: 336 15:37:16 1640.799209 26.4732 BFGS: 337 15:37:16 1637.087380 26.3993 BFGS: 338 15:37:16 1633.382123 26.3255 BFGS: 339 15:37:16 1629.683832 26.2518 BFGS: 340 15:37:16 1625.998837 26.1781 BFGS: 341 15:37:16 1622.328937 26.1051 BFGS: 342 15:37:16 1618.662027 26.0326 BFGS: 343 15:37:17 1614.993454 25.9605 BFGS: 344 15:37:17 1611.328334 25.8892 BFGS: 345 15:37:17 1607.672705 25.8185 BFGS: 346 15:37:17 1604.028369 25.7479 BFGS: 347 15:37:17 1600.394602 25.6773 BFGS: 348 15:37:17 1596.771079 25.6068 BFGS: 349 15:37:17 1593.157751 25.5363 BFGS: 350 15:37:17 1589.554774 25.4659 BFGS: 351 15:37:17 1585.962459 25.3958 BFGS: 352 15:37:17 1582.380515 25.3258 BFGS: 353 15:37:17 1578.809519 25.2565 BFGS: 354 15:37:17 1575.251711 25.1879 BFGS: 355 15:37:17 1571.710255 25.1195 BFGS: 356 15:37:17 1568.185651 25.0520 BFGS: 357 15:37:17 1564.680657 24.9848 BFGS: 358 15:37:17 1561.196922 24.9186 BFGS: 359 15:37:17 1557.733746 24.8533 BFGS: 360 15:37:17 1554.288746 24.7883 BFGS: 361 15:37:17 1550.867244 24.7237 BFGS: 362 15:37:17 1547.475297 24.6597 BFGS: 363 15:37:17 1544.127152 24.5965 BFGS: 364 15:37:17 1540.832310 24.5340 BFGS: 365 15:37:17 1537.589955 24.4722 BFGS: 366 15:37:17 1534.390442 24.4111 BFGS: 367 15:37:17 1531.215887 24.3503 BFGS: 368 15:37:17 1528.046682 24.2897 BFGS: 369 15:37:17 1524.876744 24.2291 BFGS: 370 15:37:17 1521.705585 24.1687 BFGS: 371 15:37:17 1518.533504 24.1085 BFGS: 372 15:37:17 1515.360919 24.0485 BFGS: 373 15:37:17 1512.190432 23.9890 BFGS: 374 15:37:17 1509.036378 23.9299 BFGS: 375 15:37:17 1505.874815 23.8708 BFGS: 376 15:37:17 1502.720488 23.8130 BFGS: 377 15:37:17 1499.563845 23.7558 BFGS: 378 15:37:17 1496.404679 23.6992 BFGS: 379 15:37:17 1493.248971 23.6432 BFGS: 380 15:37:17 1490.094848 23.5882 BFGS: 381 15:37:17 1486.932323 23.5332 BFGS: 382 15:37:17 1483.802364 23.4787 BFGS: 383 15:37:17 1480.623517 23.4238 BFGS: 384 15:37:17 1477.539583 23.3706 BFGS: 385 15:37:18 1474.330318 23.3170 BFGS: 386 15:37:18 1471.278078 23.2653 BFGS: 387 15:37:18 1468.165023 23.2129 BFGS: 388 15:37:18 1465.139619 23.1614 BFGS: 389 15:37:18 1462.050543 23.1092 BFGS: 390 15:37:18 1459.032267 23.0581 BFGS: 391 15:37:18 1455.981617 23.0065 BFGS: 392 15:37:18 1452.966148 22.9561 BFGS: 393 15:37:18 1449.931706 22.9059 BFGS: 394 15:37:18 1446.922308 22.8557 BFGS: 395 15:37:18 1443.910100 22.8054 BFGS: 396 15:37:18 1440.908238 22.7555 BFGS: 397 15:37:18 1437.916979 22.7064 BFGS: 398 15:37:18 1434.969756 22.6576 BFGS: 399 15:37:18 1432.030090 22.6092 BFGS: 400 15:37:18 1429.089960 22.5613 BFGS: 401 15:37:18 1426.160646 22.5132 BFGS: 402 15:37:18 1423.237919 22.4649 BFGS: 403 15:37:18 1420.321186 22.4164 BFGS: 404 15:37:18 1417.410202 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BFGS: 876 15:37:26 573.213429 7.7394 BFGS: 877 15:37:26 572.007305 7.7200 BFGS: 878 15:37:26 570.810674 7.7004 BFGS: 879 15:37:26 569.623608 7.6809 BFGS: 880 15:37:26 568.444704 7.6614 BFGS: 881 15:37:26 567.275312 7.6417 BFGS: 882 15:37:26 566.115666 7.6219 BFGS: 883 15:37:26 564.965428 7.6034 BFGS: 884 15:37:26 563.818869 7.5846 BFGS: 885 15:37:26 562.682171 7.5682 BFGS: 886 15:37:26 561.554195 7.5531 BFGS: 887 15:37:26 560.434591 7.5382 BFGS: 888 15:37:26 559.314219 7.5233 BFGS: 889 15:37:26 558.202815 7.5085 BFGS: 890 15:37:26 557.099434 7.4936 BFGS: 891 15:37:26 556.004301 7.4789 BFGS: 892 15:37:26 554.917302 7.4641 BFGS: 893 15:37:26 553.839081 7.4495 BFGS: 894 15:37:26 552.769056 7.4350 BFGS: 895 15:37:26 551.705153 7.4207 BFGS: 896 15:37:26 550.648249 7.4064 BFGS: 897 15:37:26 549.598947 7.3922 BFGS: 898 15:37:26 548.556634 7.3783 BFGS: 899 15:37:26 547.520329 7.3645 BFGS: 900 15:37:26 546.492036 7.3507 BFGS: 901 15:37:26 545.470541 7.3369 BFGS: 902 15:37:26 544.456213 7.3232 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BFGS: 4091 15:38:09 8.000756 0.6341 BFGS: 4092 15:38:09 7.981464 0.6367 BFGS: 4093 15:38:09 7.962201 0.6393 BFGS: 4094 15:38:09 7.942959 0.6417 BFGS: 4095 15:38:09 7.923732 0.6441 BFGS: 4096 15:38:09 7.904514 0.6463 BFGS: 4097 15:38:09 7.885300 0.6485 BFGS: 4098 15:38:09 7.866085 0.6506 BFGS: 4099 15:38:09 7.846864 0.6525 BFGS: 4100 15:38:09 7.827633 0.6544 BFGS: 4101 15:38:09 7.808389 0.6562 BFGS: 4102 15:38:10 7.789128 0.6578 BFGS: 4103 15:38:10 7.769847 0.6594 BFGS: 4104 15:38:10 7.750543 0.6608 BFGS: 4105 15:38:10 7.731213 0.6621 BFGS: 4106 15:38:10 7.711854 0.6633 BFGS: 4107 15:38:10 7.692465 0.6645 BFGS: 4108 15:38:10 7.673042 0.6654 BFGS: 4109 15:38:10 7.653584 0.6663 BFGS: 4110 15:38:10 7.634106 0.6671 BFGS: 4111 15:38:10 7.614990 0.6674 BFGS: 4112 15:38:10 7.596376 0.6667 BFGS: 4113 15:38:10 7.577832 0.6653 BFGS: 4114 15:38:10 7.559248 0.6635 BFGS: 4115 15:38:10 7.540589 0.6611 BFGS: 4116 15:38:10 7.521838 0.6584 BFGS: 4117 15:38:10 7.502989 0.6553 BFGS: 4118 15:38:10 7.483972 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6.737411 0.4649 BFGS: 4147 15:38:10 6.720947 0.4633 BFGS: 4148 15:38:10 6.704931 0.4616 BFGS: 4149 15:38:10 6.689394 0.4600 BFGS: 4150 15:38:10 6.674050 0.4583 BFGS: 4151 15:38:10 6.658828 0.4566 BFGS: 4152 15:38:10 6.643706 0.4548 BFGS: 4153 15:38:10 6.628675 0.4530 BFGS: 4154 15:38:10 6.613728 0.4512 BFGS: 4155 15:38:10 6.598863 0.4493 BFGS: 4156 15:38:10 6.584076 0.4475 BFGS: 4157 15:38:10 6.569366 0.4457 BFGS: 4158 15:38:10 6.554732 0.4439 BFGS: 4159 15:38:10 6.540173 0.4421 BFGS: 4160 15:38:10 6.525687 0.4410 BFGS: 4161 15:38:10 6.511275 0.4431 BFGS: 4162 15:38:10 6.496935 0.4450 BFGS: 4163 15:38:10 6.482667 0.4469 BFGS: 4164 15:38:10 6.468470 0.4487 BFGS: 4165 15:38:10 6.454344 0.4504 BFGS: 4166 15:38:10 6.440289 0.4521 BFGS: 4167 15:38:10 6.426303 0.4537 BFGS: 4168 15:38:10 6.412386 0.4553 BFGS: 4169 15:38:10 6.398537 0.4568 BFGS: 4170 15:38:10 6.384756 0.4583 BFGS: 4171 15:38:10 6.371043 0.4597 BFGS: 4172 15:38:10 6.357396 0.4610 BFGS: 4173 15:38:10 6.343815 0.4623 BFGS: 4174 15:38:10 6.330300 0.4636 BFGS: 4175 15:38:10 6.316849 0.4648 BFGS: 4176 15:38:10 6.303463 0.4660 BFGS: 4177 15:38:10 6.290140 0.4671 BFGS: 4178 15:38:10 6.276881 0.4682 BFGS: 4179 15:38:10 6.263683 0.4693 BFGS: 4180 15:38:10 6.250547 0.4703 BFGS: 4181 15:38:10 6.237473 0.4713 BFGS: 4182 15:38:10 6.224459 0.4723 BFGS: 4183 15:38:10 6.211505 0.4732 BFGS: 4184 15:38:10 6.198611 0.4741 BFGS: 4185 15:38:10 6.185782 0.4750 BFGS: 4186 15:38:10 6.173067 0.4758 BFGS: 4187 15:38:10 6.160433 0.4765 BFGS: 4188 15:38:10 6.147871 0.4772 BFGS: 4189 15:38:10 6.135379 0.4779 BFGS: 4190 15:38:10 6.122956 0.4785 BFGS: 4191 15:38:10 6.110601 0.4791 BFGS: 4192 15:38:10 6.098312 0.4796 BFGS: 4193 15:38:11 6.086089 0.4801 BFGS: 4194 15:38:11 6.073932 0.4806 BFGS: 4195 15:38:11 6.061838 0.4810 BFGS: 4196 15:38:11 6.049808 0.4814 BFGS: 4197 15:38:11 6.037840 0.4818 BFGS: 4198 15:38:11 6.025934 0.4821 BFGS: 4199 15:38:11 6.014089 0.4824 BFGS: 4200 15:38:11 6.002304 0.4827 BFGS: 4201 15:38:11 5.990578 0.4830 BFGS: 4202 15:38:11 5.978911 0.4832 BFGS: 4203 15:38:11 5.967302 0.4834 BFGS: 4204 15:38:11 5.955750 0.4836 BFGS: 4205 15:38:11 5.944255 0.4837 BFGS: 4206 15:38:11 5.932815 0.4838 BFGS: 4207 15:38:11 5.921430 0.4839 BFGS: 4208 15:38:11 5.910093 0.4840 BFGS: 4209 15:38:11 5.898934 0.4842 BFGS: 4210 15:38:11 5.887898 0.4845 BFGS: 4211 15:38:11 5.876936 0.4848 BFGS: 4212 15:38:11 5.866034 0.4851 BFGS: 4213 15:38:11 5.855185 0.4855 BFGS: 4214 15:38:11 5.844386 0.4860 BFGS: 4215 15:38:11 5.833633 0.4864 BFGS: 4216 15:38:11 5.822924 0.4869 BFGS: 4217 15:38:11 5.812256 0.4873 BFGS: 4218 15:38:11 5.801627 0.4878 BFGS: 4219 15:38:11 5.791036 0.4883 BFGS: 4220 15:38:11 5.780484 0.4888 BFGS: 4221 15:38:11 5.769929 0.4892 BFGS: 4222 15:38:11 5.758143 0.4891 BFGS: 4223 15:38:11 5.746129 0.4889 BFGS: 4224 15:38:11 5.734115 0.4887 BFGS: 4225 15:38:11 5.722138 0.4886 BFGS: 4226 15:38:11 5.710195 0.4886 BFGS: 4227 15:38:11 5.698277 0.4887 BFGS: 4228 15:38:11 5.686372 0.4887 BFGS: 4229 15:38:11 5.674472 0.4888 BFGS: 4230 15:38:11 5.662567 0.4890 BFGS: 4231 15:38:11 5.650646 0.4891 BFGS: 4232 15:38:11 5.638701 0.4892 BFGS: 4233 15:38:11 5.626722 0.4894 BFGS: 4234 15:38:11 5.614697 0.4895 BFGS: 4235 15:38:11 5.602617 0.4897 BFGS: 4236 15:38:11 5.590469 0.4898 BFGS: 4237 15:38:11 5.578242 0.4898 BFGS: 4238 15:38:11 5.565923 0.4899 BFGS: 4239 15:38:11 5.553499 0.4899 BFGS: 4240 15:38:11 5.540954 0.4898 BFGS: 4241 15:38:11 5.528274 0.4897 BFGS: 4242 15:38:11 5.515442 0.4896 BFGS: 4243 15:38:11 5.502440 0.4894 BFGS: 4244 15:38:11 5.489251 0.4891 BFGS: 4245 15:38:11 5.475853 0.4887 BFGS: 4246 15:38:11 5.462226 0.4883 BFGS: 4247 15:38:11 5.448345 0.4877 BFGS: 4248 15:38:11 5.434186 0.4871 BFGS: 4249 15:38:11 5.419722 0.4864 BFGS: 4250 15:38:11 5.404924 0.4856 BFGS: 4251 15:38:11 5.389759 0.4846 BFGS: 4252 15:38:11 5.374192 0.4836 BFGS: 4253 15:38:11 5.358186 0.4824 BFGS: 4254 15:38:11 5.341698 0.4810 BFGS: 4255 15:38:11 5.324682 0.4795 BFGS: 4256 15:38:11 5.307085 0.4779 BFGS: 4257 15:38:11 5.288850 0.4761 BFGS: 4258 15:38:11 5.269912 0.4741 BFGS: 4259 15:38:11 5.250196 0.4718 BFGS: 4260 15:38:11 5.229616 0.4694 BFGS: 4261 15:38:11 5.208076 0.4667 BFGS: 4262 15:38:11 5.185459 0.4638 BFGS: 4263 15:38:11 5.161641 0.4605 BFGS: 4264 15:38:11 5.136798 0.4570 BFGS: 4265 15:38:11 5.111003 0.4531 BFGS: 4266 15:38:11 5.083625 0.4485 BFGS: 4267 15:38:11 5.054270 0.4433 BFGS: 4268 15:38:11 5.022481 0.4373 BFGS: 4269 15:38:11 4.987616 0.4302 BFGS: 4270 15:38:11 4.948688 0.4219 BFGS: 4271 15:38:11 4.904018 0.4118 BFGS: 4272 15:38:11 4.864742 0.4025 BFGS: 4273 15:38:11 4.831087 0.3943 BFGS: 4274 15:38:11 4.801289 0.3872 BFGS: 4275 15:38:11 4.774145 0.3810 BFGS: 4276 15:38:11 4.748770 0.3754 BFGS: 4277 15:38:11 4.724507 0.3706 BFGS: 4278 15:38:11 4.701274 0.3663 BFGS: 4279 15:38:11 4.678864 0.3624 BFGS: 4280 15:38:11 4.657125 0.3589 BFGS: 4281 15:38:11 4.635946 0.3557 BFGS: 4282 15:38:11 4.615248 0.3528 BFGS: 4283 15:38:11 4.594974 0.3501 BFGS: 4284 15:38:12 4.575082 0.3475 BFGS: 4285 15:38:12 4.555541 0.3452 BFGS: 4286 15:38:12 4.536327 0.3430 BFGS: 4287 15:38:12 4.517423 0.3409 BFGS: 4288 15:38:12 4.498815 0.3389 BFGS: 4289 15:38:12 4.480493 0.3370 BFGS: 4290 15:38:12 4.462448 0.3352 BFGS: 4291 15:38:12 4.444675 0.3335 BFGS: 4292 15:38:12 4.427167 0.3318 BFGS: 4293 15:38:12 4.409920 0.3302 BFGS: 4294 15:38:12 4.392930 0.3286 BFGS: 4295 15:38:12 4.376193 0.3271 BFGS: 4296 15:38:12 4.359705 0.3255 BFGS: 4297 15:38:12 4.343464 0.3240 BFGS: 4298 15:38:12 4.327466 0.3225 BFGS: 4299 15:38:12 4.311708 0.3210 BFGS: 4300 15:38:12 4.296187 0.3195 BFGS: 4301 15:38:12 4.280899 0.3180 BFGS: 4302 15:38:12 4.265841 0.3165 BFGS: 4303 15:38:12 4.251010 0.3150 BFGS: 4304 15:38:12 4.236403 0.3135 BFGS: 4305 15:38:12 4.222015 0.3120 BFGS: 4306 15:38:12 4.207843 0.3104 BFGS: 4307 15:38:12 4.193884 0.3089 BFGS: 4308 15:38:12 4.180134 0.3073 BFGS: 4309 15:38:12 4.166590 0.3057 BFGS: 4310 15:38:12 4.153246 0.3040 BFGS: 4311 15:38:12 4.140101 0.3024 BFGS: 4312 15:38:12 4.127149 0.3007 BFGS: 4313 15:38:12 4.114387 0.2990 BFGS: 4314 15:38:12 4.101811 0.2973 BFGS: 4315 15:38:12 4.089418 0.2955 BFGS: 4316 15:38:12 4.077203 0.2937 BFGS: 4317 15:38:12 4.065163 0.2919 BFGS: 4318 15:38:12 4.053293 0.2900 BFGS: 4319 15:38:12 4.041591 0.2881 BFGS: 4320 15:38:12 4.030053 0.2862 BFGS: 4321 15:38:12 4.018674 0.2843 BFGS: 4322 15:38:12 4.007451 0.2823 BFGS: 4323 15:38:12 3.996380 0.2803 BFGS: 4324 15:38:12 3.985458 0.2783 BFGS: 4325 15:38:12 3.974681 0.2762 BFGS: 4326 15:38:12 3.964046 0.2742 BFGS: 4327 15:38:12 3.953549 0.2720 BFGS: 4328 15:38:12 3.943186 0.2699 BFGS: 4329 15:38:12 3.932955 0.2677 BFGS: 4330 15:38:12 3.922851 0.2655 BFGS: 4331 15:38:12 3.912872 0.2633 BFGS: 4332 15:38:12 3.903014 0.2610 BFGS: 4333 15:38:12 3.893274 0.2588 BFGS: 4334 15:38:12 3.883648 0.2565 BFGS: 4335 15:38:12 3.874134 0.2541 BFGS: 4336 15:38:12 3.864728 0.2518 BFGS: 4337 15:38:12 3.855428 0.2494 BFGS: 4338 15:38:12 3.846229 0.2470 BFGS: 4339 15:38:12 3.837130 0.2446 BFGS: 4340 15:38:12 3.828127 0.2421 BFGS: 4341 15:38:12 3.819217 0.2396 BFGS: 4342 15:38:12 3.810397 0.2372 BFGS: 4343 15:38:12 3.801665 0.2346 BFGS: 4344 15:38:12 3.793017 0.2321 BFGS: 4345 15:38:12 3.784452 0.2296 BFGS: 4346 15:38:12 3.775965 0.2270 BFGS: 4347 15:38:12 3.767555 0.2244 BFGS: 4348 15:38:12 3.759219 0.2218 BFGS: 4349 15:38:12 3.750954 0.2192 BFGS: 4350 15:38:12 3.742758 0.2166 BFGS: 4351 15:38:12 3.734869 0.2140 BFGS: 4352 15:38:12 3.727438 0.2103 BFGS: 4353 15:38:12 3.720102 0.2061 BFGS: 4354 15:38:12 3.712790 0.2017 BFGS: 4355 15:38:12 3.705439 0.1971 BFGS: 4356 15:38:12 3.698029 0.1923 BFGS: 4357 15:38:12 3.690559 0.1873 BFGS: 4358 15:38:12 3.683107 0.1821 BFGS: 4359 15:38:12 3.675663 0.1768 BFGS: 4360 15:38:12 3.668221 0.1713 BFGS: 4361 15:38:12 3.660774 0.1657 BFGS: 4362 15:38:12 3.653316 0.1600 BFGS: 4363 15:38:12 3.645837 0.1541 BFGS: 4364 15:38:12 3.638323 0.1483 BFGS: 4365 15:38:12 3.630751 0.1424 BFGS: 4366 15:38:12 3.622862 0.1368 BFGS: 4367 15:38:12 3.615597 0.1322 BFGS: 4368 15:38:12 3.609448 0.1288 BFGS: 4369 15:38:12 3.604075 0.1264 BFGS: 4370 15:38:12 3.599278 0.1249 BFGS: 4371 15:38:12 3.594920 0.1239 BFGS: 4372 15:38:12 3.590908 0.1234 BFGS: 4373 15:38:12 3.587173 0.1256 BFGS: 4374 15:38:12 3.583665 0.1290 BFGS: 4375 15:38:12 3.580349 0.1323 BFGS: 4376 15:38:13 3.577196 0.1356 BFGS: 4377 15:38:13 3.574185 0.1389 BFGS: 4378 15:38:13 3.571299 0.1423 BFGS: 4379 15:38:13 3.568527 0.1456 BFGS: 4380 15:38:13 3.565859 0.1489 BFGS: 4381 15:38:13 3.563287 0.1523 BFGS: 4382 15:38:13 3.560805 0.1557 BFGS: 4383 15:38:13 3.558409 0.1591 BFGS: 4384 15:38:13 3.556095 0.1626 BFGS: 4385 15:38:13 3.553859 0.1661 BFGS: 4386 15:38:13 3.551700 0.1696 BFGS: 4387 15:38:13 3.549614 0.1732 BFGS: 4388 15:38:13 3.547599 0.1768 BFGS: 4389 15:38:13 3.545653 0.1805 BFGS: 4390 15:38:13 3.543771 0.1841 BFGS: 4391 15:38:13 3.541951 0.1878 BFGS: 4392 15:38:13 3.540188 0.1916 BFGS: 4393 15:38:13 3.538477 0.1954 BFGS: 4394 15:38:13 3.536809 0.1991 BFGS: 4395 15:38:13 3.535176 0.2029 BFGS: 4396 15:38:13 3.533566 0.2068 BFGS: 4397 15:38:13 3.531963 0.2106 BFGS: 4398 15:38:13 3.530333 0.2144 BFGS: 4399 15:38:13 3.528704 0.2183 BFGS: 4400 15:38:13 3.527067 0.2222 BFGS: 4401 15:38:13 3.525411 0.2261 BFGS: 4402 15:38:13 3.523724 0.2300 BFGS: 4403 15:38:13 3.521995 0.2338 BFGS: 4404 15:38:13 3.520217 0.2376 BFGS: 4405 15:38:13 3.518380 0.2413 BFGS: 4406 15:38:13 3.516481 0.2448 BFGS: 4407 15:38:13 3.514515 0.2483 BFGS: 4408 15:38:13 3.512483 0.2516 BFGS: 4409 15:38:13 3.510385 0.2548 BFGS: 4410 15:38:13 3.508225 0.2578 BFGS: 4411 15:38:13 3.506008 0.2607 BFGS: 4412 15:38:13 3.503738 0.2634 BFGS: 4413 15:38:13 3.501423 0.2659 BFGS: 4414 15:38:13 3.499068 0.2684 BFGS: 4415 15:38:13 3.496681 0.2707 BFGS: 4416 15:38:13 3.494268 0.2728 BFGS: 4417 15:38:13 3.491835 0.2748 BFGS: 4418 15:38:13 3.489387 0.2768 BFGS: 4419 15:38:13 3.486930 0.2786 BFGS: 4420 15:38:13 3.484467 0.2803 BFGS: 4421 15:38:13 3.482004 0.2820 BFGS: 4422 15:38:13 3.479543 0.2836 BFGS: 4423 15:38:13 3.477088 0.2851 BFGS: 4424 15:38:13 3.474642 0.2865 BFGS: 4425 15:38:13 3.472207 0.2879 BFGS: 4426 15:38:13 3.469785 0.2892 BFGS: 4427 15:38:13 3.467377 0.2905 BFGS: 4428 15:38:13 3.464987 0.2918 BFGS: 4429 15:38:13 3.462613 0.2930 BFGS: 4430 15:38:13 3.460259 0.2942 BFGS: 4431 15:38:13 3.457925 0.2953 BFGS: 4432 15:38:13 3.455612 0.2964 BFGS: 4433 15:38:13 3.453320 0.2975 BFGS: 4434 15:38:13 3.451050 0.2986 BFGS: 4435 15:38:13 3.448802 0.2996 BFGS: 4436 15:38:13 3.446577 0.3006 BFGS: 4437 15:38:13 3.444375 0.3016 BFGS: 4438 15:38:13 3.442195 0.3026 BFGS: 4439 15:38:13 3.440039 0.3036 BFGS: 4440 15:38:13 3.437906 0.3045 BFGS: 4441 15:38:13 3.435796 0.3055 BFGS: 4442 15:38:13 3.433708 0.3064 BFGS: 4443 15:38:13 3.431642 0.3074 BFGS: 4444 15:38:13 3.429598 0.3083 BFGS: 4445 15:38:13 3.427576 0.3092 BFGS: 4446 15:38:13 3.425574 0.3101 BFGS: 4447 15:38:13 3.423591 0.3110 BFGS: 4448 15:38:13 3.421627 0.3119 BFGS: 4449 15:38:13 3.419680 0.3128 BFGS: 4450 15:38:13 3.417747 0.3137 BFGS: 4451 15:38:13 3.415836 0.3145 BFGS: 4452 15:38:13 3.413930 0.3154 BFGS: 4453 15:38:13 3.412011 0.3162 BFGS: 4454 15:38:13 3.410064 0.3170 BFGS: 4455 15:38:13 3.408077 0.3177 BFGS: 4456 15:38:13 3.406038 0.3184 BFGS: 4457 15:38:13 3.403937 0.3190 BFGS: 4458 15:38:13 3.401767 0.3195 BFGS: 4459 15:38:13 3.399519 0.3199 BFGS: 4460 15:38:13 3.397186 0.3202 BFGS: 4461 15:38:13 3.394762 0.3205 BFGS: 4462 15:38:13 3.392240 0.3206 BFGS: 4463 15:38:13 3.389613 0.3206 BFGS: 4464 15:38:13 3.386872 0.3206 BFGS: 4465 15:38:13 3.383991 0.3203 BFGS: 4466 15:38:13 3.380931 0.3197 BFGS: 4467 15:38:13 3.377682 0.3189 BFGS: 4468 15:38:14 3.374236 0.3180 BFGS: 4469 15:38:14 3.370587 0.3168 BFGS: 4470 15:38:14 3.366722 0.3154 BFGS: 4471 15:38:14 3.362630 0.3139 BFGS: 4472 15:38:14 3.358292 0.3122 BFGS: 4473 15:38:14 3.353689 0.3103 BFGS: 4474 15:38:14 3.348789 0.3082 BFGS: 4475 15:38:14 3.343575 0.3056 BFGS: 4476 15:38:14 3.338380 0.3016 BFGS: 4477 15:38:14 3.333185 0.2966 BFGS: 4478 15:38:14 3.327825 0.2918 BFGS: 4479 15:38:14 3.322253 0.2870 BFGS: 4480 15:38:14 3.316410 0.2821 BFGS: 4481 15:38:14 3.310244 0.2770 BFGS: 4482 15:38:14 3.303701 0.2718 BFGS: 4483 15:38:14 3.296725 0.2663 BFGS: 4484 15:38:14 3.289252 0.2606 BFGS: 4485 15:38:14 3.281210 0.2546 BFGS: 4486 15:38:14 3.272520 0.2482 BFGS: 4487 15:38:14 3.263089 0.2416 BFGS: 4488 15:38:14 3.252813 0.2345 BFGS: 4489 15:38:14 3.241572 0.2271 BFGS: 4490 15:38:14 3.229231 0.2192 BFGS: 4491 15:38:14 3.215635 0.2109 BFGS: 4492 15:38:14 3.200609 0.2021 BFGS: 4493 15:38:14 3.183962 0.1928 BFGS: 4494 15:38:14 3.165479 0.1830 BFGS: 4495 15:38:14 3.145407 0.1729 BFGS: 4496 15:38:14 3.124767 0.1733 BFGS: 4497 15:38:14 3.106072 0.1736 BFGS: 4498 15:38:14 3.090443 0.1740 BFGS: 4499 15:38:14 3.076918 0.1745 BFGS: 4500 15:38:14 3.064598 0.1751 BFGS: 4501 15:38:14 3.053070 0.1757 BFGS: 4502 15:38:14 3.042115 0.1764 BFGS: 4503 15:38:14 3.031606 0.1772 BFGS: 4504 15:38:14 3.021461 0.1780 BFGS: 4505 15:38:14 3.011578 0.1788 BFGS: 4506 15:38:14 3.001732 0.1797 BFGS: 4507 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0.177528 0.0602 BFGS: 4813 15:38:17 0.176734 0.0593 BFGS: 4814 15:38:17 0.175911 0.0584 BFGS: 4815 15:38:17 0.175064 0.0575 BFGS: 4816 15:38:17 0.174200 0.0569 BFGS: 4817 15:38:17 0.173325 0.0593 BFGS: 4818 15:38:17 0.172447 0.0614 BFGS: 4819 15:38:17 0.171572 0.0634 BFGS: 4820 15:38:17 0.170702 0.0653 BFGS: 4821 15:38:17 0.169847 0.0669 BFGS: 4822 15:38:17 0.169005 0.0683 BFGS: 4823 15:38:17 0.168172 0.0696 BFGS: 4824 15:38:17 0.167333 0.0708 BFGS: 4825 15:38:17 0.166467 0.0719 BFGS: 4826 15:38:17 0.165551 0.0729 BFGS: 4827 15:38:17 0.164568 0.0737 BFGS: 4828 15:38:17 0.163502 0.0745 BFGS: 4829 15:38:17 0.162341 0.0752 BFGS: 4830 15:38:17 0.161124 0.0757 BFGS: 4831 15:38:17 0.159895 0.0758 BFGS: 4832 15:38:17 0.158610 0.0760 BFGS: 4833 15:38:17 0.157231 0.0760 BFGS: 4834 15:38:17 0.155726 0.0759 BFGS: 4835 15:38:17 0.154062 0.0755 BFGS: 4836 15:38:18 0.152199 0.0743 BFGS: 4837 15:38:18 0.150113 0.0732 BFGS: 4838 15:38:18 0.147769 0.0720 BFGS: 4839 15:38:18 0.145125 0.0707 BFGS: 4840 15:38:18 0.142137 0.0694 BFGS: 4841 15:38:18 0.138756 0.0680 BFGS: 4842 15:38:18 0.134934 0.0666 BFGS: 4843 15:38:18 0.130627 0.0654 BFGS: 4844 15:38:18 0.126222 0.0644 BFGS: 4845 15:38:18 0.121829 0.0637 BFGS: 4846 15:38:18 0.117467 0.0634 BFGS: 4847 15:38:18 0.113191 0.0635 BFGS: 4848 15:38:18 0.109023 0.0640 BFGS: 4849 15:38:18 0.105017 0.0651 BFGS: 4850 15:38:18 0.101227 0.0666 BFGS: 4851 15:38:18 0.097686 0.0666 BFGS: 4852 15:38:18 0.094136 0.0630 BFGS: 4853 15:38:18 0.090490 0.0597 BFGS: 4854 15:38:18 0.086805 0.0565 BFGS: 4855 15:38:18 0.083104 0.0535 BFGS: 4856 15:38:18 0.079405 0.0504 BFGS: 4857 15:38:18 0.075720 0.0474 BFGS: 4858 15:38:18 0.072061 0.0444 BFGS: 4859 15:38:18 0.068440 0.0414 BFGS: 4860 15:38:18 0.064868 0.0384 BFGS: 4861 15:38:18 0.061396 0.0355 BFGS: 4862 15:38:18 0.058081 0.0327 BFGS: 4863 15:38:18 0.054926 0.0300 BFGS: 4864 15:38:18 0.051934 0.0274 BFGS: 4865 15:38:18 0.049108 0.0249 BFGS: 4866 15:38:18 0.046451 0.0237 BFGS: 4867 15:38:18 0.043966 0.0227 BFGS: 4868 15:38:18 0.041654 0.0216 BFGS: 4869 15:38:18 0.039515 0.0205 BFGS: 4870 15:38:18 0.037703 0.0174 BFGS: 4871 15:38:18 0.036614 0.0208 BFGS: 4872 15:38:18 0.035908 0.0230 BFGS: 4873 15:38:18 0.035291 0.0247 BFGS: 4874 15:38:18 0.034650 0.0355 BFGS: 4875 15:38:18 0.034012 0.0466 BFGS: 4876 15:38:18 0.033568 0.0504 BFGS: 4877 15:38:18 0.033015 0.0490 BFGS: 4878 15:38:18 0.032373 0.0450 BFGS: 4879 15:38:18 0.031790 0.0412 BFGS: 4880 15:38:18 0.031230 0.0385 BFGS: 4881 15:38:18 0.030691 0.0364 BFGS: 4882 15:38:18 0.030164 0.0348 BFGS: 4883 15:38:18 0.029645 0.0335 BFGS: 4884 15:38:18 0.029135 0.0323 BFGS: 4885 15:38:18 0.028631 0.0312 BFGS: 4886 15:38:18 0.028135 0.0302 BFGS: 4887 15:38:18 0.027646 0.0293 BFGS: 4888 15:38:18 0.027164 0.0284 BFGS: 4889 15:38:18 0.026689 0.0275 BFGS: 4890 15:38:18 0.026221 0.0267 BFGS: 4891 15:38:18 0.025760 0.0259 BFGS: 4892 15:38:18 0.025306 0.0251 BFGS: 4893 15:38:18 0.024858 0.0244 BFGS: 4894 15:38:18 0.024417 0.0236 BFGS: 4895 15:38:18 0.023982 0.0229 BFGS: 4896 15:38:18 0.023554 0.0221 BFGS: 4897 15:38:18 0.023131 0.0214 BFGS: 4898 15:38:18 0.022715 0.0207 BFGS: 4899 15:38:18 0.022304 0.0199 BFGS: 4900 15:38:18 0.021900 0.0192 BFGS: 4901 15:38:18 0.021501 0.0188 BFGS: 4902 15:38:18 0.021110 0.0186 BFGS: 4903 15:38:18 0.020713 0.0182 BFGS: 4904 15:38:18 0.020302 0.0177 BFGS: 4905 15:38:18 0.019901 0.0171 BFGS: 4906 15:38:18 0.019514 0.0166 BFGS: 4907 15:38:18 0.019142 0.0160 BFGS: 4908 15:38:18 0.018785 0.0154 BFGS: 4909 15:38:18 0.018443 0.0149 BFGS: 4910 15:38:18 0.018115 0.0143 BFGS: 4911 15:38:18 0.017799 0.0138 BFGS: 4912 15:38:18 0.017491 0.0133 BFGS: 4913 15:38:18 0.017185 0.0128 BFGS: 4914 15:38:18 0.016882 0.0123 BFGS: 4915 15:38:18 0.016582 0.0119 BFGS: 4916 15:38:18 0.016285 0.0115 BFGS: 4917 15:38:18 0.015986 0.0112 BFGS: 4918 15:38:18 0.015687 0.0109 BFGS: 4919 15:38:18 0.015389 0.0110 BFGS: 4920 15:38:18 0.015103 0.0110 BFGS: 4921 15:38:18 0.014809 0.0109 BFGS: 4922 15:38:18 0.014515 0.0107 BFGS: 4923 15:38:18 0.014224 0.0105 BFGS: 4924 15:38:18 0.013936 0.0102 BFGS: 4925 15:38:18 0.013651 0.0100 BFGS: 4926 15:38:18 0.013369 0.0107 BFGS: 4927 15:38:18 0.013121 0.0114 BFGS: 4928 15:38:18 0.012809 0.0118 BFGS: 4929 15:38:19 0.012470 0.0114 BFGS: 4930 15:38:19 0.012209 0.0120 BFGS: 4931 15:38:19 0.011986 0.0136 BFGS: 4932 15:38:19 0.011750 0.0146 BFGS: 4933 15:38:19 0.011506 0.0155 BFGS: 4934 15:38:19 0.011233 0.0163 BFGS: 4935 15:38:19 0.010965 0.0169 BFGS: 4936 15:38:19 0.010708 0.0172 BFGS: 4937 15:38:19 0.010463 0.0173 BFGS: 4938 15:38:19 0.010226 0.0173 BFGS: 4939 15:38:19 0.010072 0.0171 BFGS: 4940 15:38:19 0.009845 0.0141 BFGS: 4941 15:38:19 0.009338 0.0067 BFGS: 4942 15:38:19 0.009132 0.0089 BFGS: 4943 15:38:19 0.008948 0.0109 BFGS: 4944 15:38:19 0.008769 0.0121 BFGS: 4945 15:38:19 0.008591 0.0126 BFGS: 4946 15:38:19 0.008417 0.0127 BFGS: 4947 15:38:19 0.008276 0.0118 BFGS: 4948 15:38:19 0.008125 0.0120 BFGS: 4949 15:38:19 0.007968 0.0141 BFGS: 4950 15:38:19 0.007826 0.0142 BFGS: 4951 15:38:19 0.007699 0.0128 BFGS: 4952 15:38:19 0.007591 0.0116 BFGS: 4953 15:38:19 0.007491 0.0153 BFGS: 4954 15:38:19 0.007331 0.0179 BFGS: 4955 15:38:19 0.007143 0.0169 BFGS: 4956 15:38:19 0.006916 0.0179 BFGS: 4957 15:38:19 0.006758 0.0198 BFGS: 4958 15:38:19 0.006602 0.0206 BFGS: 4959 15:38:19 0.006485 0.0204 BFGS: 4960 15:38:19 0.006146 0.0140 BFGS: 4961 15:38:19 0.005763 0.0120 BFGS: 4962 15:38:19 0.005545 0.0121 BFGS: 4963 15:38:19 0.005365 0.0127 BFGS: 4964 15:38:19 0.005188 0.0135 BFGS: 4965 15:38:19 0.005008 0.0141 BFGS: 4966 15:38:19 0.004827 0.0147 BFGS: 4967 15:38:19 0.004648 0.0151 BFGS: 4968 15:38:19 0.004471 0.0155 BFGS: 4969 15:38:19 0.004335 0.0157 BFGS: 4970 15:38:19 0.003998 0.0144 BFGS: 4971 15:38:19 0.003899 0.0129 BFGS: 4972 15:38:19 0.003767 0.0106 BFGS: 4973 15:38:19 0.003729 0.0072 BFGS: 4974 15:38:19 0.003673 0.0078 BFGS: 4975 15:38:19 0.003637 0.0079 BFGS: 4976 15:38:19 0.003519 0.0078 BFGS: 4977 15:38:19 0.003406 0.0078 BFGS: 4978 15:38:19 0.003316 0.0077 BFGS: 4979 15:38:19 0.003227 0.0072 BFGS: 4980 15:38:19 0.003134 0.0068 BFGS: 4981 15:38:19 0.003034 0.0065 BFGS: 4982 15:38:19 0.002950 0.0090 BFGS: 4983 15:38:19 0.002837 0.0094 BFGS: 4984 15:38:19 0.002714 0.0087 BFGS: 4985 15:38:19 0.002609 0.0081 BFGS: 4986 15:38:19 0.002513 0.0078 BFGS: 4987 15:38:19 0.002428 0.0077 BFGS: 4988 15:38:19 0.002323 0.0102 BFGS: 4989 15:38:19 0.002248 0.0114 BFGS: 4990 15:38:19 0.002116 0.0105 BFGS: 4991 15:38:19 0.001944 0.0091 BFGS: 4992 15:38:19 0.001772 0.0062 BFGS: 4993 15:38:19 0.001692 0.0057 BFGS: 4994 15:38:19 0.001578 0.0062 BFGS: 4995 15:38:19 0.001474 0.0074 BFGS: 4996 15:38:19 0.001373 0.0082 BFGS: 4997 15:38:19 0.001274 0.0088 BFGS: 4998 15:38:19 0.001176 0.0091 BFGS: 4999 15:38:19 0.001079 0.0094 BFGS: 5000 15:38:19 0.000984 0.0095 BFGS: 5001 15:38:19 0.000890 0.0095 BFGS: 5002 15:38:19 0.000799 0.0094 BFGS: 5003 15:38:19 0.000711 0.0093 BFGS: 5004 15:38:19 0.000626 0.0090 BFGS: 5005 15:38:19 0.000544 0.0087 BFGS: 5006 15:38:19 0.000465 0.0083 BFGS: 5007 15:38:19 0.000391 0.0079 BFGS: 5008 15:38:19 0.000322 0.0074 BFGS: 5009 15:38:19 0.000258 0.0068 BFGS: 5010 15:38:19 0.000200 0.0062 BFGS: 5011 15:38:19 0.000148 0.0056 BFGS: 5012 15:38:19 0.000103 0.0048 BFGS: 5013 15:38:19 0.000065 0.0040 BFGS: 5014 15:38:19 0.000035 0.0032 BFGS: 5015 15:38:19 0.000014 0.0022 BFGS: 5016 15:38:19 0.000002 0.0008 BFGS: 5017 15:38:19 0.000000 0.0000 BFGS: 5018 15:38:19 0.000000 0.0000 BFGS: 5019 15:38:19 0.000000 0.0000 Minimization converged after 5019 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'] basis = [[0.33333333 0.66666667 0.90582346] [0.66666666 0.33333334 0.09417654] [0.33333333 0.66666667 0.41922831] [0.66666666 0.33333334 0.58077169] [0.19238358 0.80761642 0.21624078] [0.19238358 0.38476718 0.21624078] [0.61523282 0.80761642 0.21624078] [0.80761641 0.19238359 0.78375922] [0.38476717 0.19238359 0.78375922] [0.80761641 0.61523283 0.78375922] [0.07048819 0.92951181 0.13785084] [0.07048819 0.14097638 0.13785084] [0.85902362 0.92951181 0.13785084] [0.92951181 0.07048819 0.86214916] [0.14097638 0.07048819 0.86214916] [0.92951181 0.85902362 0.86214916] [0.08215858 0.91784142 0.40190476] [0.08215858 0.16431717 0.40190476] [0.83568283 0.91784142 0.40190476] [0.91784141 0.08215859 0.59809524] [0.16431716 0.08215859 0.59809524] [0.91784141 0.83568284 0.59809524] [0.66666676 0.12190887 0.00701267] [0.87809113 0.5447579 0.00701267] [0.4552421 0.33333324 0.00701267] [0.12190887 0.66666677 0.99298733] [0.54475789 0.87809113 0.99298733] [0.33333323 0.45524211 0.99298733] [0.33333323 0.87809113 0.99298733] [0.12190887 0.45524211 0.99298733] [0.54475789 0.66666677 0.99298733] [0.87809113 0.33333324 0.00701267] [0.4552421 0.12190887 0.00701267] [0.66666676 0.5447579 0.00701267] [0.65960838 0.55479302 0.56878991] [0.44520698 0.10481537 0.56878991] [0.89518463 0.34039162 0.56878991] [0.55479302 0.65960839 0.43121009] [0.10481536 0.44520698 0.43121009] [0.34039161 0.89518464 0.43121009] [0.34039161 0.44520698 0.43121009] [0.55479302 0.89518464 0.43121009] [0.10481536 0.65960839 0.43121009] [0.44520698 0.34039162 0.56878991] [0.89518463 0.55479302 0.56878991] [0.65960838 0.10481537 0.56878991] [0.7397575 0.04840287 0.27574623] [0.95159713 0.69135463 0.27574623] [0.30864537 0.2602425 0.27574623] [0.04840287 0.7397575 0.72425377] [0.69135463 0.95159713 0.72425377] [0.2602425 0.30864537 0.72425377] [0.2602425 0.95159713 0.72425377] [0.04840287 0.30864537 0.72425377] [0.69135463 0.7397575 0.72425377] [0.95159713 0.2602425 0.27574623] [0.30864537 0.04840287 0.27574623] [0.7397575 0.69135463 0.27574623]] cellpar = Cell([[47.298239010818826, -1.7432258134098203e-16, 6.936157412715521e-36], [-23.649119505409413, 40.961476537637274, 1.9333742520501688e-36], [1.0631432814306579e-36, 1.5084096131274763e-35, 37.697635868115356]]) 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.]] 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