element(s): ['Si'] AFLOW prototype label: A_hP40_191_hjmno Parameter names: ['a', 'c/a', 'z1', 'x2', 'x3', 'x4', 'z4', 'x5', 'z5'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['10.2149', '1.0165836', '0.61228571', '0.75779551', '0.86747065', '0.38051764', '0.81323099', '0.79060657', '0.68780964'] model name: Sim_LAMMPS_Vashishta_VashishtaKaliaRino_1990_SiO__SM_887826436433_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0.33333333 0.66666667 0.61228571] [0.75779551 0. 0. ] [0.86747065 0.7349413 0.5 ] [0.38051764 0. 0.81323099] [0.79060657 0.58121314 0.68780964]] spacegroup = 191 cell = [[10.2149, 0, 0], [-5.10745, 8.8463628971177, 0], [0, 0, 10.3843]] ========================================= Step Time Energy fmax BFGS: 0 15:16:30 2797.155374 77.2027 BFGS: 1 15:16:30 2785.361222 76.8017 BFGS: 2 15:16:30 2773.666325 76.4030 BFGS: 3 15:16:30 2762.056038 76.0064 BFGS: 4 15:16:30 2750.520832 75.6117 BFGS: 5 15:16:31 2739.054639 75.2190 BFGS: 6 15:16:31 2727.652419 74.8282 BFGS: 7 15:16:31 2716.310391 74.4389 BFGS: 8 15:16:31 2705.026588 74.0509 BFGS: 9 15:16:31 2693.807400 73.6646 BFGS: 10 15:16:31 2682.654586 73.2801 BFGS: 11 15:16:31 2671.567722 72.8974 BFGS: 12 15:16:31 2660.550258 72.5165 BFGS: 13 15:16:31 2649.601551 72.1375 BFGS: 14 15:16:31 2638.721762 71.7603 BFGS: 15 15:16:31 2627.914704 71.3852 BFGS: 16 15:16:32 2617.179430 71.0126 BFGS: 17 15:16:32 2606.520643 70.6427 BFGS: 18 15:16:32 2595.938896 70.2768 BFGS: 19 15:16:32 2585.431280 69.9134 BFGS: 20 15:16:32 2574.998807 69.5543 BFGS: 21 15:16:32 2564.639740 69.2003 BFGS: 22 15:16:32 2554.350472 68.8517 BFGS: 23 15:16:32 2544.130111 68.5073 BFGS: 24 15:16:32 2533.973307 68.1698 BFGS: 25 15:16:32 2523.875725 67.8370 BFGS: 26 15:16:32 2513.834360 67.5070 BFGS: 27 15:16:33 2503.846639 67.1840 BFGS: 28 15:16:33 2493.909589 66.8622 BFGS: 29 15:16:33 2484.022259 66.5416 BFGS: 30 15:16:33 2474.183771 66.2236 BFGS: 31 15:16:33 2464.392674 65.9072 BFGS: 32 15:16:33 2454.647951 65.5918 BFGS: 33 15:16:33 2444.948877 65.2776 BFGS: 34 15:16:33 2435.294876 64.9644 BFGS: 35 15:16:34 2425.685443 64.6532 BFGS: 36 15:16:34 2416.118496 64.3431 BFGS: 37 15:16:34 2406.593491 64.0339 BFGS: 38 15:16:34 2397.110127 63.7256 BFGS: 39 15:16:34 2387.668150 63.4182 BFGS: 40 15:16:34 2378.267342 63.1118 BFGS: 41 15:16:34 2368.907508 62.8066 BFGS: 42 15:16:34 2359.587890 62.5039 BFGS: 43 15:16:34 2350.306561 62.2020 BFGS: 44 15:16:34 2341.063535 61.9010 BFGS: 45 15:16:35 2331.858801 61.6009 BFGS: 46 15:16:35 2322.692334 61.3015 BFGS: 47 15:16:35 2313.564100 61.0030 BFGS: 48 15:16:35 2304.474057 60.7053 BFGS: 49 15:16:35 2295.422164 60.4085 BFGS: 50 15:16:35 2286.408377 60.1124 BFGS: 51 15:16:35 2277.432651 59.8172 BFGS: 52 15:16:35 2268.494944 59.5227 BFGS: 53 15:16:35 2259.595213 59.2291 BFGS: 54 15:16:35 2250.733415 58.9363 BFGS: 55 15:16:35 2241.909439 58.6445 BFGS: 56 15:16:36 2233.125989 58.3535 BFGS: 57 15:16:36 2224.383097 58.0635 BFGS: 58 15:16:36 2215.680750 57.7744 BFGS: 59 15:16:36 2207.018905 57.4862 BFGS: 60 15:16:36 2198.397302 57.2014 BFGS: 61 15:16:36 2189.812479 56.9181 BFGS: 62 15:16:36 2181.268102 56.6361 BFGS: 63 15:16:36 2172.763655 56.3562 BFGS: 64 15:16:36 2164.298472 56.0801 BFGS: 65 15:16:36 2155.867094 55.8064 BFGS: 66 15:16:36 2147.471089 55.5343 BFGS: 67 15:16:36 2139.119096 55.2640 BFGS: 68 15:16:36 2130.810968 54.9953 BFGS: 69 15:16:36 2122.545152 54.7280 BFGS: 70 15:16:36 2114.315612 54.4636 BFGS: 71 15:16:36 2106.122110 54.2003 BFGS: 72 15:16:36 2097.964801 53.9392 BFGS: 73 15:16:36 2089.851917 53.6798 BFGS: 74 15:16:36 2081.784628 53.4215 BFGS: 75 15:16:37 2073.762805 53.1642 BFGS: 76 15:16:37 2065.786313 52.9081 BFGS: 77 15:16:37 2057.855012 52.6531 BFGS: 78 15:16:37 2049.968751 52.3992 BFGS: 79 15:16:37 2042.127348 52.1474 BFGS: 80 15:16:37 2034.329285 51.8978 BFGS: 81 15:16:37 2026.572925 51.6492 BFGS: 82 15:16:37 2018.858113 51.4015 BFGS: 83 15:16:37 2011.184693 51.1548 BFGS: 84 15:16:37 2003.552408 50.9106 BFGS: 85 15:16:37 1995.960156 50.6691 BFGS: 86 15:16:37 1988.406866 50.4285 BFGS: 87 15:16:37 1980.892693 50.1889 BFGS: 88 15:16:37 1973.417714 49.9507 BFGS: 89 15:16:37 1965.981464 49.7151 BFGS: 90 15:16:37 1958.583003 49.4811 BFGS: 91 15:16:37 1951.223632 49.2481 BFGS: 92 15:16:37 1943.904292 49.0175 BFGS: 93 15:16:38 1936.628502 48.7887 BFGS: 94 15:16:38 1929.395757 48.5623 BFGS: 95 15:16:38 1922.205429 48.3387 BFGS: 96 15:16:38 1915.056533 48.1161 BFGS: 97 15:16:38 1907.949042 47.8944 BFGS: 98 15:16:38 1900.882839 47.6737 BFGS: 99 15:16:38 1893.857660 47.4565 BFGS: 100 15:16:38 1886.869659 47.2420 BFGS: 101 15:16:38 1879.916225 47.0297 BFGS: 102 15:16:38 1872.995349 46.8193 BFGS: 103 15:16:38 1866.105637 46.6100 BFGS: 104 15:16:38 1859.246245 46.4054 BFGS: 105 15:16:38 1852.416651 46.2033 BFGS: 106 15:16:38 1845.617408 46.0032 BFGS: 107 15:16:38 1838.847157 45.8036 BFGS: 108 15:16:38 1832.105584 45.6047 BFGS: 109 15:16:38 1825.392442 45.4063 BFGS: 110 15:16:38 1818.707503 45.2087 BFGS: 111 15:16:38 1812.051071 45.0122 BFGS: 112 15:16:38 1805.424483 44.8173 BFGS: 113 15:16:39 1798.826500 44.6232 BFGS: 114 15:16:39 1792.257413 44.4300 BFGS: 115 15:16:39 1785.720485 44.2386 BFGS: 116 15:16:39 1779.214417 44.0491 BFGS: 117 15:16:39 1772.740652 43.8616 BFGS: 118 15:16:39 1766.299339 43.6769 BFGS: 119 15:16:39 1759.887652 43.4938 BFGS: 120 15:16:39 1753.505143 43.3119 BFGS: 121 15:16:39 1747.151935 43.1306 BFGS: 122 15:16:39 1740.827888 42.9501 BFGS: 123 15:16:39 1734.532819 42.7703 BFGS: 124 15:16:39 1728.266520 42.5912 BFGS: 125 15:16:39 1722.028766 42.4128 BFGS: 126 15:16:39 1715.819326 42.2351 BFGS: 127 15:16:39 1709.637966 42.0580 BFGS: 128 15:16:39 1703.484455 41.8816 BFGS: 129 15:16:39 1697.358565 41.7058 BFGS: 130 15:16:39 1691.260071 41.5307 BFGS: 131 15:16:39 1685.188758 41.3562 BFGS: 132 15:16:39 1679.144414 41.1824 BFGS: 133 15:16:39 1673.126836 41.0091 BFGS: 134 15:16:39 1667.135826 40.8365 BFGS: 135 15:16:39 1661.171193 40.6644 BFGS: 136 15:16:39 1655.232754 40.4930 BFGS: 137 15:16:39 1649.320331 40.3221 BFGS: 138 15:16:39 1643.433751 40.1518 BFGS: 139 15:16:39 1637.572848 39.9821 BFGS: 140 15:16:39 1631.737462 39.8130 BFGS: 141 15:16:39 1625.927437 39.6444 BFGS: 142 15:16:40 1620.142622 39.4764 BFGS: 143 15:16:40 1614.382873 39.3090 BFGS: 144 15:16:40 1608.648046 39.1421 BFGS: 145 15:16:40 1602.938007 38.9757 BFGS: 146 15:16:40 1597.252589 38.8099 BFGS: 147 15:16:40 1591.593332 38.6470 BFGS: 148 15:16:40 1585.958479 38.4856 BFGS: 149 15:16:40 1580.347234 38.3246 BFGS: 150 15:16:40 1574.759540 38.1642 BFGS: 151 15:16:40 1569.195331 38.0048 BFGS: 152 15:16:40 1563.653892 37.8470 BFGS: 153 15:16:40 1558.134252 37.6897 BFGS: 154 15:16:40 1552.636423 37.5328 BFGS: 155 15:16:40 1547.160399 37.3763 BFGS: 156 15:16:40 1541.706160 37.2204 BFGS: 157 15:16:40 1536.273620 37.0653 BFGS: 158 15:16:40 1530.864396 36.9111 BFGS: 159 15:16:40 1525.480193 36.7577 BFGS: 160 15:16:40 1520.121872 36.6051 BFGS: 161 15:16:40 1514.788951 36.4543 BFGS: 162 15:16:40 1509.480273 36.3045 BFGS: 163 15:16:41 1504.196113 36.1568 BFGS: 164 15:16:41 1498.935359 36.0108 BFGS: 165 15:16:41 1493.696688 35.8668 BFGS: 166 15:16:41 1488.478498 35.7233 BFGS: 167 15:16:41 1483.280740 35.5801 BFGS: 168 15:16:41 1478.103368 35.4374 BFGS: 169 15:16:41 1472.946335 35.2950 BFGS: 170 15:16:41 1467.809592 35.1531 BFGS: 171 15:16:41 1462.693093 35.0115 BFGS: 172 15:16:41 1457.596789 34.8703 BFGS: 173 15:16:41 1452.520631 34.7296 BFGS: 174 15:16:41 1447.464568 34.5894 BFGS: 175 15:16:41 1442.428324 34.4512 BFGS: 176 15:16:41 1437.410111 34.3133 BFGS: 177 15:16:41 1432.409908 34.1758 BFGS: 178 15:16:41 1427.427692 34.0391 BFGS: 179 15:16:41 1422.463935 33.9032 BFGS: 180 15:16:41 1417.520111 33.7677 BFGS: 181 15:16:41 1412.596048 33.6326 BFGS: 182 15:16:41 1407.691588 33.4979 BFGS: 183 15:16:42 1402.806588 33.3637 BFGS: 184 15:16:42 1397.940918 33.2298 BFGS: 185 15:16:42 1393.094460 33.0964 BFGS: 186 15:16:42 1388.267104 32.9633 BFGS: 187 15:16:42 1383.458746 32.8307 BFGS: 188 15:16:42 1378.669293 32.6984 BFGS: 189 15:16:42 1373.898655 32.5665 BFGS: 190 15:16:42 1369.146747 32.4350 BFGS: 191 15:16:42 1364.413492 32.3038 BFGS: 192 15:16:42 1359.698812 32.1730 BFGS: 193 15:16:42 1355.002637 32.0426 BFGS: 194 15:16:42 1350.324897 31.9126 BFGS: 195 15:16:42 1345.665526 31.7829 BFGS: 196 15:16:42 1341.024460 31.6536 BFGS: 197 15:16:42 1336.401638 31.5247 BFGS: 198 15:16:42 1331.796999 31.3961 BFGS: 199 15:16:42 1327.210487 31.2678 BFGS: 200 15:16:42 1322.642044 31.1400 BFGS: 201 15:16:42 1318.091615 31.0124 BFGS: 202 15:16:43 1313.559147 30.8853 BFGS: 203 15:16:43 1309.044584 30.7585 BFGS: 204 15:16:43 1304.548067 30.6320 BFGS: 205 15:16:43 1300.069613 30.5059 BFGS: 206 15:16:43 1295.609175 30.3801 BFGS: 207 15:16:43 1291.166676 30.2548 BFGS: 208 15:16:43 1286.742365 30.1300 BFGS: 209 15:16:43 1282.336377 30.0058 BFGS: 210 15:16:43 1277.948500 29.8821 BFGS: 211 15:16:43 1273.578544 29.7588 BFGS: 212 15:16:43 1269.226488 29.6358 BFGS: 213 15:16:43 1264.892308 29.5132 BFGS: 214 15:16:43 1260.575980 29.3909 BFGS: 215 15:16:43 1256.277478 29.2690 BFGS: 216 15:16:43 1251.996758 29.1479 BFGS: 217 15:16:43 1247.733733 29.0277 BFGS: 218 15:16:43 1243.488400 28.9079 BFGS: 219 15:16:43 1239.260632 28.7885 BFGS: 220 15:16:43 1235.050320 28.6695 BFGS: 221 15:16:43 1230.857367 28.5510 BFGS: 222 15:16:44 1226.681559 28.4332 BFGS: 223 15:16:44 1222.522530 28.3157 BFGS: 224 15:16:44 1218.380193 28.1985 BFGS: 225 15:16:44 1214.254454 28.0824 BFGS: 226 15:16:44 1210.144799 27.9675 BFGS: 227 15:16:44 1206.050818 27.8527 BFGS: 228 15:16:44 1201.972541 27.7383 BFGS: 229 15:16:44 1197.909974 27.6241 BFGS: 230 15:16:44 1193.863113 27.5102 BFGS: 231 15:16:44 1189.831940 27.3966 BFGS: 232 15:16:44 1185.816429 27.2833 BFGS: 233 15:16:44 1181.816549 27.1703 BFGS: 234 15:16:44 1177.832266 27.0576 BFGS: 235 15:16:44 1173.863541 26.9451 BFGS: 236 15:16:44 1169.910337 26.8330 BFGS: 237 15:16:44 1165.972612 26.7211 BFGS: 238 15:16:44 1162.050328 26.6095 BFGS: 239 15:16:44 1158.143442 26.4983 BFGS: 240 15:16:44 1154.251806 26.3886 BFGS: 241 15:16:44 1150.374844 26.2797 BFGS: 242 15:16:45 1146.512421 26.1711 BFGS: 243 15:16:45 1142.664425 26.0628 BFGS: 244 15:16:45 1138.830767 25.9548 BFGS: 245 15:16:45 1135.011374 25.8470 BFGS: 246 15:16:45 1131.206161 25.7399 BFGS: 247 15:16:45 1127.415012 25.6335 BFGS: 248 15:16:45 1123.637911 25.5281 BFGS: 249 15:16:45 1119.875014 25.4229 BFGS: 250 15:16:45 1116.126446 25.3180 BFGS: 251 15:16:45 1112.392307 25.2134 BFGS: 252 15:16:45 1108.672674 25.1091 BFGS: 253 15:16:45 1104.967609 25.0050 BFGS: 254 15:16:45 1101.277158 24.9012 BFGS: 255 15:16:45 1097.601354 24.7977 BFGS: 256 15:16:45 1093.940225 24.6944 BFGS: 257 15:16:45 1090.293789 24.5914 BFGS: 258 15:16:45 1086.662056 24.4887 BFGS: 259 15:16:45 1083.045026 24.3867 BFGS: 260 15:16:45 1079.443632 24.2851 BFGS: 261 15:16:46 1075.857800 24.1838 BFGS: 262 15:16:46 1072.287462 24.0828 BFGS: 263 15:16:46 1068.732556 23.9822 BFGS: 264 15:16:46 1065.193026 23.8818 BFGS: 265 15:16:46 1061.668818 23.7818 BFGS: 266 15:16:46 1058.159856 23.6822 BFGS: 267 15:16:46 1054.666969 23.5829 BFGS: 268 15:16:46 1051.190173 23.4838 BFGS: 269 15:16:46 1047.729404 23.3851 BFGS: 270 15:16:46 1044.284576 23.2869 BFGS: 271 15:16:46 1040.856217 23.1890 BFGS: 272 15:16:46 1037.444817 23.0916 BFGS: 273 15:16:46 1034.051296 22.9948 BFGS: 274 15:16:46 1030.675383 22.8994 BFGS: 275 15:16:46 1027.316649 22.8045 BFGS: 276 15:16:46 1023.974985 22.7108 BFGS: 277 15:16:46 1020.650340 22.6173 BFGS: 278 15:16:46 1017.342697 22.5243 BFGS: 279 15:16:46 1014.051780 22.4350 BFGS: 280 15:16:46 1010.775397 22.3465 BFGS: 281 15:16:46 1007.513138 22.2596 BFGS: 282 15:16:46 1004.264224 22.1734 BFGS: 283 15:16:46 1001.028317 22.0886 BFGS: 284 15:16:46 997.804749 22.0041 BFGS: 285 15:16:46 994.593489 21.9198 BFGS: 286 15:16:47 991.394494 21.8361 BFGS: 287 15:16:47 988.207589 21.7537 BFGS: 288 15:16:47 985.032064 21.6722 BFGS: 289 15:16:47 981.867477 21.5920 BFGS: 290 15:16:47 978.713212 21.5121 BFGS: 291 15:16:47 975.569241 21.4323 BFGS: 292 15:16:47 972.435546 21.3527 BFGS: 293 15:16:47 969.312110 21.2733 BFGS: 294 15:16:47 966.198923 21.1941 BFGS: 295 15:16:47 963.095966 21.1150 BFGS: 296 15:16:47 960.003351 21.0362 BFGS: 297 15:16:47 956.921194 20.9575 BFGS: 298 15:16:47 953.849535 20.8791 BFGS: 299 15:16:47 950.788399 20.8008 BFGS: 300 15:16:47 947.737770 20.7237 BFGS: 301 15:16:47 944.696941 20.6472 BFGS: 302 15:16:47 941.665610 20.5722 BFGS: 303 15:16:47 938.643296 20.4975 BFGS: 304 15:16:47 935.631325 20.4230 BFGS: 305 15:16:47 932.630023 20.3488 BFGS: 306 15:16:47 929.639562 20.2747 BFGS: 307 15:16:47 926.659860 20.2009 BFGS: 308 15:16:47 923.690845 20.1272 BFGS: 309 15:16:47 920.732442 20.0540 BFGS: 310 15:16:47 917.784754 19.9814 BFGS: 311 15:16:47 914.848010 19.9093 BFGS: 312 15:16:47 911.922269 19.8378 BFGS: 313 15:16:47 909.007770 19.7665 BFGS: 314 15:16:47 906.104355 19.6955 BFGS: 315 15:16:47 903.211886 19.6246 BFGS: 316 15:16:47 900.330245 19.5540 BFGS: 317 15:16:47 897.459330 19.4835 BFGS: 318 15:16:47 894.599049 19.4133 BFGS: 319 15:16:48 891.749320 19.3432 BFGS: 320 15:16:48 888.910070 19.2734 BFGS: 321 15:16:48 886.081231 19.2037 BFGS: 322 15:16:48 883.262742 19.1342 BFGS: 323 15:16:48 880.454544 19.0650 BFGS: 324 15:16:48 877.656585 18.9959 BFGS: 325 15:16:48 874.868812 18.9270 BFGS: 326 15:16:48 872.091180 18.8582 BFGS: 327 15:16:48 869.323641 18.7897 BFGS: 328 15:16:48 866.566137 18.7217 BFGS: 329 15:16:48 863.818462 18.6539 BFGS: 330 15:16:48 861.080561 18.5862 BFGS: 331 15:16:48 858.352381 18.5188 BFGS: 332 15:16:48 855.633874 18.4515 BFGS: 333 15:16:48 852.924994 18.3844 BFGS: 334 15:16:48 850.225699 18.3175 BFGS: 335 15:16:48 847.535947 18.2507 BFGS: 336 15:16:48 844.855699 18.1841 BFGS: 337 15:16:48 842.184918 18.1177 BFGS: 338 15:16:48 839.523569 18.0514 BFGS: 339 15:16:48 836.871617 17.9854 BFGS: 340 15:16:48 834.229020 17.9195 BFGS: 341 15:16:48 831.595830 17.8543 BFGS: 342 15:16:48 828.972143 17.7892 BFGS: 343 15:16:48 826.357855 17.7255 BFGS: 344 15:16:48 823.752480 17.6630 BFGS: 345 15:16:48 821.155457 17.6013 BFGS: 346 15:16:48 818.566297 17.5398 BFGS: 347 15:16:48 815.984881 17.4785 BFGS: 348 15:16:48 813.411144 17.4173 BFGS: 349 15:16:48 810.845036 17.3563 BFGS: 350 15:16:49 808.286520 17.2955 BFGS: 351 15:16:49 805.735570 17.2347 BFGS: 352 15:16:49 803.192164 17.1742 BFGS: 353 15:16:49 800.656290 17.1137 BFGS: 354 15:16:49 798.127936 17.0534 BFGS: 355 15:16:49 795.607096 16.9932 BFGS: 356 15:16:49 793.093765 16.9331 BFGS: 357 15:16:49 790.587941 16.8732 BFGS: 358 15:16:49 788.089621 16.8133 BFGS: 359 15:16:49 785.598806 16.7536 BFGS: 360 15:16:49 783.115494 16.6941 BFGS: 361 15:16:49 780.639685 16.6346 BFGS: 362 15:16:49 778.171381 16.5752 BFGS: 363 15:16:49 775.710580 16.5160 BFGS: 364 15:16:49 773.257283 16.4569 BFGS: 365 15:16:49 770.811490 16.3979 BFGS: 366 15:16:49 768.373173 16.3397 BFGS: 367 15:16:49 765.941975 16.2816 BFGS: 368 15:16:49 763.517839 16.2236 BFGS: 369 15:16:49 761.100750 16.1658 BFGS: 370 15:16:49 758.690700 16.1081 BFGS: 371 15:16:49 756.287682 16.0504 BFGS: 372 15:16:49 753.891693 15.9929 BFGS: 373 15:16:49 751.502732 15.9355 BFGS: 374 15:16:49 749.120798 15.8782 BFGS: 375 15:16:49 746.745894 15.8211 BFGS: 376 15:16:50 744.378022 15.7640 BFGS: 377 15:16:50 742.019000 15.7070 BFGS: 378 15:16:50 739.669456 15.6506 BFGS: 379 15:16:50 737.329263 15.5945 BFGS: 380 15:16:50 734.998346 15.5384 BFGS: 381 15:16:50 732.676641 15.4825 BFGS: 382 15:16:50 730.364086 15.4267 BFGS: 383 15:16:50 728.060626 15.3711 BFGS: 384 15:16:50 725.766211 15.3155 BFGS: 385 15:16:50 723.480791 15.2602 BFGS: 386 15:16:50 721.204321 15.2049 BFGS: 387 15:16:50 718.936759 15.1498 BFGS: 388 15:16:50 716.678064 15.0948 BFGS: 389 15:16:50 714.428196 15.0400 BFGS: 390 15:16:50 712.187119 14.9853 BFGS: 391 15:16:50 709.954794 14.9310 BFGS: 392 15:16:50 707.731114 14.8776 BFGS: 393 15:16:50 705.516072 14.8243 BFGS: 394 15:16:50 703.309621 14.7712 BFGS: 395 15:16:50 701.111715 14.7183 BFGS: 396 15:16:50 698.922316 14.6654 BFGS: 397 15:16:50 696.741386 14.6128 BFGS: 398 15:16:51 694.568828 14.5607 BFGS: 399 15:16:51 692.404511 14.5086 BFGS: 400 15:16:51 690.248417 14.4567 BFGS: 401 15:16:51 688.100528 14.4050 BFGS: 402 15:16:51 685.960825 14.3534 BFGS: 403 15:16:51 683.829286 14.3019 BFGS: 404 15:16:51 681.705890 14.2505 BFGS: 405 15:16:51 679.590614 14.1993 BFGS: 406 15:16:51 677.483434 14.1482 BFGS: 407 15:16:51 675.384328 14.0972 BFGS: 408 15:16:51 673.293271 14.0463 BFGS: 409 15:16:51 671.210238 13.9956 BFGS: 410 15:16:51 669.135206 13.9450 BFGS: 411 15:16:51 667.068151 13.8946 BFGS: 412 15:16:51 665.009047 13.8443 BFGS: 413 15:16:51 662.957769 13.7944 BFGS: 414 15:16:51 660.913671 13.7447 BFGS: 415 15:16:51 658.876762 13.6951 BFGS: 416 15:16:51 656.847048 13.6455 BFGS: 417 15:16:51 654.824532 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BFGS: 1546 15:17:08 33.665509 0.6720 BFGS: 1547 15:17:08 33.555190 0.6699 BFGS: 1548 15:17:08 33.445061 0.6679 BFGS: 1549 15:17:08 33.335126 0.6659 BFGS: 1550 15:17:08 33.225387 0.6638 BFGS: 1551 15:17:08 33.115848 0.6618 BFGS: 1552 15:17:08 33.006512 0.6597 BFGS: 1553 15:17:08 32.897382 0.6576 BFGS: 1554 15:17:08 32.788462 0.6555 BFGS: 1555 15:17:08 32.679754 0.6534 BFGS: 1556 15:17:08 32.571262 0.6513 BFGS: 1557 15:17:08 32.462989 0.6492 BFGS: 1558 15:17:09 32.354939 0.6470 BFGS: 1559 15:17:09 32.247116 0.6449 BFGS: 1560 15:17:09 32.139522 0.6427 BFGS: 1561 15:17:09 32.032162 0.6405 BFGS: 1562 15:17:09 31.925038 0.6383 BFGS: 1563 15:17:09 31.818155 0.6361 BFGS: 1564 15:17:09 31.711516 0.6339 BFGS: 1565 15:17:09 31.605124 0.6317 BFGS: 1566 15:17:09 31.498984 0.6294 BFGS: 1567 15:17:09 31.393099 0.6272 BFGS: 1568 15:17:09 31.287473 0.6249 BFGS: 1569 15:17:09 31.182109 0.6227 BFGS: 1570 15:17:09 31.077011 0.6204 BFGS: 1571 15:17:09 30.972183 0.6181 BFGS: 1572 15:17:09 30.867629 0.6158 BFGS: 1573 15:17:09 30.763352 0.6135 BFGS: 1574 15:17:09 30.659356 0.6111 BFGS: 1575 15:17:09 30.555646 0.6088 BFGS: 1576 15:17:09 30.452223 0.6065 BFGS: 1577 15:17:09 30.349094 0.6041 BFGS: 1578 15:17:09 30.246260 0.6018 BFGS: 1579 15:17:09 30.143726 0.5994 BFGS: 1580 15:17:09 30.041495 0.5970 BFGS: 1581 15:17:09 29.939572 0.5946 BFGS: 1582 15:17:09 29.837959 0.5922 BFGS: 1583 15:17:09 29.736643 0.5900 BFGS: 1584 15:17:09 29.635563 0.5878 BFGS: 1585 15:17:09 29.534712 0.5857 BFGS: 1586 15:17:09 29.434090 0.5835 BFGS: 1587 15:17:09 29.333695 0.5813 BFGS: 1588 15:17:09 29.233529 0.5791 BFGS: 1589 15:17:09 29.133590 0.5769 BFGS: 1590 15:17:09 29.033879 0.5746 BFGS: 1591 15:17:09 28.934397 0.5724 BFGS: 1592 15:17:09 28.835144 0.5702 BFGS: 1593 15:17:09 28.736120 0.5679 BFGS: 1594 15:17:09 28.637325 0.5657 BFGS: 1595 15:17:09 28.538761 0.5634 BFGS: 1596 15:17:09 28.440428 0.5611 BFGS: 1597 15:17:09 28.342328 0.5589 BFGS: 1598 15:17:09 28.244460 0.5566 BFGS: 1599 15:17:09 28.146827 0.5543 BFGS: 1600 15:17:09 28.049428 0.5520 BFGS: 1601 15:17:09 27.952266 0.5497 BFGS: 1602 15:17:09 27.855342 0.5474 BFGS: 1603 15:17:09 27.758656 0.5450 BFGS: 1604 15:17:09 27.662211 0.5427 BFGS: 1605 15:17:09 27.566008 0.5404 BFGS: 1606 15:17:09 27.470047 0.5380 BFGS: 1607 15:17:09 27.374332 0.5357 BFGS: 1608 15:17:09 27.278864 0.5334 BFGS: 1609 15:17:09 27.183582 0.5310 BFGS: 1610 15:17:09 27.088333 0.5286 BFGS: 1611 15:17:09 26.993109 0.5263 BFGS: 1612 15:17:09 26.897909 0.5239 BFGS: 1613 15:17:09 26.802734 0.5215 BFGS: 1614 15:17:09 26.707586 0.5191 BFGS: 1615 15:17:09 26.612465 0.5167 BFGS: 1616 15:17:09 26.517373 0.5143 BFGS: 1617 15:17:09 26.422312 0.5119 BFGS: 1618 15:17:09 26.327283 0.5095 BFGS: 1619 15:17:09 26.232287 0.5070 BFGS: 1620 15:17:09 26.137327 0.5046 BFGS: 1621 15:17:09 26.042404 0.5026 BFGS: 1622 15:17:09 25.947533 0.5016 BFGS: 1623 15:17:09 25.852732 0.5006 BFGS: 1624 15:17:09 25.758000 0.4995 BFGS: 1625 15:17:09 25.663342 0.4985 BFGS: 1626 15:17:09 25.568758 0.4974 BFGS: 1627 15:17:09 25.474251 0.4964 BFGS: 1628 15:17:09 25.379824 0.4954 BFGS: 1629 15:17:09 25.285478 0.4943 BFGS: 1630 15:17:09 25.191217 0.4933 BFGS: 1631 15:17:09 25.097042 0.4922 BFGS: 1632 15:17:09 25.002942 0.4914 BFGS: 1633 15:17:09 24.908875 0.4906 BFGS: 1634 15:17:09 24.814844 0.4899 BFGS: 1635 15:17:09 24.720852 0.4891 BFGS: 1636 15:17:09 24.626904 0.4883 BFGS: 1637 15:17:09 24.533004 0.4876 BFGS: 1638 15:17:09 24.439157 0.4868 BFGS: 1639 15:17:09 24.345365 0.4860 BFGS: 1640 15:17:09 24.251635 0.4853 BFGS: 1641 15:17:09 24.157970 0.4845 BFGS: 1642 15:17:09 24.064375 0.4837 BFGS: 1643 15:17:09 23.970854 0.4829 BFGS: 1644 15:17:09 23.877412 0.4822 BFGS: 1645 15:17:09 23.784052 0.4814 BFGS: 1646 15:17:09 23.690781 0.4806 BFGS: 1647 15:17:09 23.597602 0.4798 BFGS: 1648 15:17:09 23.504519 0.4790 BFGS: 1649 15:17:09 23.411538 0.4782 BFGS: 1650 15:17:09 23.318662 0.4774 BFGS: 1651 15:17:09 23.225897 0.4766 BFGS: 1652 15:17:09 23.133247 0.4757 BFGS: 1653 15:17:09 23.040716 0.4749 BFGS: 1654 15:17:09 22.948309 0.4741 BFGS: 1655 15:17:09 22.856030 0.4733 BFGS: 1656 15:17:09 22.763885 0.4724 BFGS: 1657 15:17:09 22.671876 0.4716 BFGS: 1658 15:17:09 22.580010 0.4707 BFGS: 1659 15:17:09 22.488290 0.4699 BFGS: 1660 15:17:09 22.396720 0.4690 BFGS: 1661 15:17:10 22.305306 0.4682 BFGS: 1662 15:17:10 22.214050 0.4673 BFGS: 1663 15:17:10 22.122959 0.4664 BFGS: 1664 15:17:10 22.032036 0.4656 BFGS: 1665 15:17:10 21.941285 0.4647 BFGS: 1666 15:17:10 21.850711 0.4638 BFGS: 1667 15:17:10 21.760317 0.4629 BFGS: 1668 15:17:10 21.670109 0.4620 BFGS: 1669 15:17:10 21.580090 0.4611 BFGS: 1670 15:17:10 21.490264 0.4602 BFGS: 1671 15:17:10 21.400635 0.4593 BFGS: 1672 15:17:10 21.311208 0.4584 BFGS: 1673 15:17:10 21.221986 0.4574 BFGS: 1674 15:17:10 21.132974 0.4565 BFGS: 1675 15:17:10 21.044174 0.4556 BFGS: 1676 15:17:10 20.955592 0.4546 BFGS: 1677 15:17:10 20.867231 0.4537 BFGS: 1678 15:17:10 20.779095 0.4527 BFGS: 1679 15:17:10 20.691187 0.4518 BFGS: 1680 15:17:10 20.603511 0.4508 BFGS: 1681 15:17:10 20.516072 0.4499 BFGS: 1682 15:17:10 20.428872 0.4489 BFGS: 1683 15:17:10 20.341915 0.4479 BFGS: 1684 15:17:10 20.255205 0.4469 BFGS: 1685 15:17:10 20.168745 0.4459 BFGS: 1686 15:17:10 20.082538 0.4450 BFGS: 1687 15:17:10 19.996589 0.4440 BFGS: 1688 15:17:10 19.910900 0.4430 BFGS: 1689 15:17:10 19.825476 0.4420 BFGS: 1690 15:17:10 19.740318 0.4409 BFGS: 1691 15:17:10 19.655430 0.4399 BFGS: 1692 15:17:10 19.570817 0.4389 BFGS: 1693 15:17:10 19.486479 0.4379 BFGS: 1694 15:17:10 19.402422 0.4368 BFGS: 1695 15:17:10 19.318648 0.4358 BFGS: 1696 15:17:10 19.235159 0.4348 BFGS: 1697 15:17:10 19.151960 0.4337 BFGS: 1698 15:17:10 19.069053 0.4327 BFGS: 1699 15:17:10 18.986440 0.4316 BFGS: 1700 15:17:10 18.904125 0.4306 BFGS: 1701 15:17:10 18.822111 0.4295 BFGS: 1702 15:17:10 18.740400 0.4284 BFGS: 1703 15:17:10 18.658995 0.4274 BFGS: 1704 15:17:10 18.577899 0.4263 BFGS: 1705 15:17:10 18.497114 0.4252 BFGS: 1706 15:17:10 18.416606 0.4242 BFGS: 1707 15:17:10 18.336290 0.4232 BFGS: 1708 15:17:10 18.256158 0.4222 BFGS: 1709 15:17:10 18.176208 0.4211 BFGS: 1710 15:17:10 18.096438 0.4201 BFGS: 1711 15:17:10 18.016845 0.4191 BFGS: 1712 15:17:10 17.937429 0.4180 BFGS: 1713 15:17:10 17.858186 0.4170 BFGS: 1714 15:17:10 17.779116 0.4159 BFGS: 1715 15:17:10 17.700218 0.4148 BFGS: 1716 15:17:10 17.621490 0.4138 BFGS: 1717 15:17:10 17.542930 0.4127 BFGS: 1718 15:17:10 17.464539 0.4116 BFGS: 1719 15:17:10 17.386314 0.4105 BFGS: 1720 15:17:10 17.308256 0.4094 BFGS: 1721 15:17:10 17.230363 0.4083 BFGS: 1722 15:17:10 17.152636 0.4072 BFGS: 1723 15:17:10 17.075276 0.4067 BFGS: 1724 15:17:10 16.998680 0.4061 BFGS: 1725 15:17:10 16.922829 0.4055 BFGS: 1726 15:17:10 16.847695 0.4049 BFGS: 1727 15:17:10 16.773255 0.4043 BFGS: 1728 15:17:10 16.699473 0.4036 BFGS: 1729 15:17:10 16.626328 0.4030 BFGS: 1730 15:17:10 16.553800 0.4023 BFGS: 1731 15:17:10 16.481872 0.4017 BFGS: 1732 15:17:10 16.410526 0.4010 BFGS: 1733 15:17:10 16.339748 0.4003 BFGS: 1734 15:17:10 16.269523 0.3996 BFGS: 1735 15:17:10 16.199838 0.3989 BFGS: 1736 15:17:10 16.130679 0.3981 BFGS: 1737 15:17:10 16.062035 0.3974 BFGS: 1738 15:17:10 15.993894 0.3967 BFGS: 1739 15:17:10 15.926247 0.3959 BFGS: 1740 15:17:10 15.859082 0.3952 BFGS: 1741 15:17:10 15.792390 0.3944 BFGS: 1742 15:17:10 15.726163 0.3936 BFGS: 1743 15:17:10 15.660390 0.3928 BFGS: 1744 15:17:10 15.595065 0.3921 BFGS: 1745 15:17:10 15.530178 0.3913 BFGS: 1746 15:17:10 15.465723 0.3905 BFGS: 1747 15:17:10 15.401691 0.3897 BFGS: 1748 15:17:10 15.338075 0.3889 BFGS: 1749 15:17:10 15.274869 0.3881 BFGS: 1750 15:17:10 15.212066 0.3872 BFGS: 1751 15:17:10 15.149658 0.3864 BFGS: 1752 15:17:10 15.087641 0.3856 BFGS: 1753 15:17:10 15.026007 0.3848 BFGS: 1754 15:17:10 14.964750 0.3840 BFGS: 1755 15:17:10 14.903866 0.3831 BFGS: 1756 15:17:10 14.843347 0.3823 BFGS: 1757 15:17:10 14.783188 0.3815 BFGS: 1758 15:17:10 14.723385 0.3806 BFGS: 1759 15:17:10 14.663931 0.3798 BFGS: 1760 15:17:10 14.604822 0.3789 BFGS: 1761 15:17:10 14.546052 0.3781 BFGS: 1762 15:17:10 14.487616 0.3772 BFGS: 1763 15:17:10 14.429510 0.3764 BFGS: 1764 15:17:11 14.371728 0.3755 BFGS: 1765 15:17:11 14.314266 0.3747 BFGS: 1766 15:17:11 14.257119 0.3738 BFGS: 1767 15:17:11 14.200284 0.3729 BFGS: 1768 15:17:11 14.143754 0.3721 BFGS: 1769 15:17:11 14.087526 0.3712 BFGS: 1770 15:17:11 14.031596 0.3704 BFGS: 1771 15:17:11 13.975960 0.3695 BFGS: 1772 15:17:11 13.920613 0.3686 BFGS: 1773 15:17:11 13.865551 0.3678 BFGS: 1774 15:17:11 13.810770 0.3669 BFGS: 1775 15:17:11 13.756267 0.3660 BFGS: 1776 15:17:11 13.702038 0.3652 BFGS: 1777 15:17:11 13.648078 0.3643 BFGS: 1778 15:17:11 13.594384 0.3634 BFGS: 1779 15:17:11 13.540952 0.3625 BFGS: 1780 15:17:11 13.487780 0.3617 BFGS: 1781 15:17:11 13.434862 0.3608 BFGS: 1782 15:17:11 13.382197 0.3599 BFGS: 1783 15:17:11 13.329780 0.3590 BFGS: 1784 15:17:11 13.277608 0.3582 BFGS: 1785 15:17:11 13.225678 0.3573 BFGS: 1786 15:17:11 13.173987 0.3564 BFGS: 1787 15:17:11 13.122532 0.3556 BFGS: 1788 15:17:11 13.071308 0.3547 BFGS: 1789 15:17:11 13.020314 0.3538 BFGS: 1790 15:17:11 12.969523 0.3530 BFGS: 1791 15:17:11 12.918876 0.3522 BFGS: 1792 15:17:11 12.868367 0.3514 BFGS: 1793 15:17:11 12.817992 0.3506 BFGS: 1794 15:17:11 12.767750 0.3498 BFGS: 1795 15:17:11 12.717639 0.3490 BFGS: 1796 15:17:11 12.667657 0.3482 BFGS: 1797 15:17:11 12.617803 0.3473 BFGS: 1798 15:17:11 12.568074 0.3465 BFGS: 1799 15:17:11 12.518469 0.3457 BFGS: 1800 15:17:11 12.468988 0.3449 BFGS: 1801 15:17:11 12.419629 0.3441 BFGS: 1802 15:17:11 12.370391 0.3432 BFGS: 1803 15:17:11 12.321274 0.3424 BFGS: 1804 15:17:11 12.272276 0.3416 BFGS: 1805 15:17:11 12.223396 0.3408 BFGS: 1806 15:17:11 12.174635 0.3400 BFGS: 1807 15:17:11 12.125991 0.3391 BFGS: 1808 15:17:11 12.077464 0.3383 BFGS: 1809 15:17:11 12.029054 0.3375 BFGS: 1810 15:17:11 11.980760 0.3367 BFGS: 1811 15:17:11 11.932582 0.3358 BFGS: 1812 15:17:11 11.884520 0.3350 BFGS: 1813 15:17:11 11.836572 0.3342 BFGS: 1814 15:17:11 11.788740 0.3333 BFGS: 1815 15:17:11 11.741022 0.3325 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15:17:12 9.291405 0.3794 BFGS: 1871 15:17:12 9.250015 0.3795 BFGS: 1872 15:17:12 9.208736 0.3797 BFGS: 1873 15:17:12 9.167568 0.3799 BFGS: 1874 15:17:12 9.126511 0.3800 BFGS: 1875 15:17:12 9.085563 0.3801 BFGS: 1876 15:17:12 9.044726 0.3802 BFGS: 1877 15:17:12 9.004000 0.3803 BFGS: 1878 15:17:12 8.963383 0.3803 BFGS: 1879 15:17:12 8.922877 0.3803 BFGS: 1880 15:17:12 8.882480 0.3804 BFGS: 1881 15:17:12 8.842193 0.3804 BFGS: 1882 15:17:12 8.802016 0.3803 BFGS: 1883 15:17:12 8.761948 0.3803 BFGS: 1884 15:17:12 8.721990 0.3803 BFGS: 1885 15:17:12 8.682141 0.3802 BFGS: 1886 15:17:12 8.642401 0.3801 BFGS: 1887 15:17:12 8.602771 0.3800 BFGS: 1888 15:17:12 8.563249 0.3799 BFGS: 1889 15:17:12 8.523836 0.3798 BFGS: 1890 15:17:12 8.484532 0.3796 BFGS: 1891 15:17:12 8.445337 0.3795 BFGS: 1892 15:17:12 8.406251 0.3793 BFGS: 1893 15:17:12 8.367273 0.3791 BFGS: 1894 15:17:12 8.328403 0.3789 BFGS: 1895 15:17:12 8.289642 0.3787 BFGS: 1896 15:17:12 8.250989 0.3785 BFGS: 1897 15:17:12 8.212445 0.3783 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6.224967 0.3517 BFGS: 1954 15:17:12 6.192518 0.3510 BFGS: 1955 15:17:12 6.160176 0.3503 BFGS: 1956 15:17:12 6.127940 0.3497 BFGS: 1957 15:17:12 6.095811 0.3490 BFGS: 1958 15:17:12 6.063789 0.3483 BFGS: 1959 15:17:12 6.031874 0.3476 BFGS: 1960 15:17:12 6.000066 0.3470 BFGS: 1961 15:17:12 5.968364 0.3463 BFGS: 1962 15:17:12 5.936770 0.3456 BFGS: 1963 15:17:12 5.905282 0.3449 BFGS: 1964 15:17:12 5.873902 0.3442 BFGS: 1965 15:17:12 5.842628 0.3435 BFGS: 1966 15:17:12 5.811461 0.3427 BFGS: 1967 15:17:12 5.780402 0.3420 BFGS: 1968 15:17:12 5.749449 0.3413 BFGS: 1969 15:17:12 5.718604 0.3406 BFGS: 1970 15:17:13 5.687865 0.3398 BFGS: 1971 15:17:13 5.657234 0.3391 BFGS: 1972 15:17:13 5.626710 0.3384 BFGS: 1973 15:17:13 5.596293 0.3376 BFGS: 1974 15:17:13 5.565983 0.3369 BFGS: 1975 15:17:13 5.535780 0.3361 BFGS: 1976 15:17:13 5.505685 0.3354 BFGS: 1977 15:17:13 5.475697 0.3346 BFGS: 1978 15:17:13 5.445816 0.3339 BFGS: 1979 15:17:13 5.416042 0.3331 BFGS: 1980 15:17:13 5.386376 0.3323 BFGS: 1981 15:17:13 5.356817 0.3315 BFGS: 1982 15:17:13 5.327365 0.3308 BFGS: 1983 15:17:13 5.298021 0.3300 BFGS: 1984 15:17:13 5.268784 0.3292 BFGS: 1985 15:17:13 5.239655 0.3284 BFGS: 1986 15:17:13 5.210633 0.3276 BFGS: 1987 15:17:13 5.181718 0.3268 BFGS: 1988 15:17:13 5.152911 0.3260 BFGS: 1989 15:17:13 5.124211 0.3252 BFGS: 1990 15:17:13 5.095619 0.3244 BFGS: 1991 15:17:13 5.067134 0.3236 BFGS: 1992 15:17:13 5.038757 0.3228 BFGS: 1993 15:17:13 5.010487 0.3219 BFGS: 1994 15:17:13 4.982325 0.3211 BFGS: 1995 15:17:13 4.954270 0.3203 BFGS: 1996 15:17:13 4.926323 0.3195 BFGS: 1997 15:17:13 4.898483 0.3186 BFGS: 1998 15:17:13 4.870751 0.3178 BFGS: 1999 15:17:13 4.843127 0.3169 BFGS: 2000 15:17:13 4.815610 0.3161 BFGS: 2001 15:17:13 4.788200 0.3153 BFGS: 2002 15:17:13 4.760899 0.3144 BFGS: 2003 15:17:13 4.733704 0.3135 BFGS: 2004 15:17:13 4.706617 0.3127 BFGS: 2005 15:17:13 4.679638 0.3118 BFGS: 2006 15:17:13 4.652766 0.3110 BFGS: 2007 15:17:13 4.626002 0.3101 BFGS: 2008 15:17:13 4.599345 0.3092 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3.302165 0.2643 BFGS: 2065 15:17:13 3.283525 0.2639 BFGS: 2066 15:17:13 3.265024 0.2634 BFGS: 2067 15:17:13 3.246657 0.2630 BFGS: 2068 15:17:13 3.228421 0.2626 BFGS: 2069 15:17:13 3.210312 0.2622 BFGS: 2070 15:17:13 3.192325 0.2617 BFGS: 2071 15:17:13 3.174458 0.2613 BFGS: 2072 15:17:13 3.156706 0.2609 BFGS: 2073 15:17:14 3.139066 0.2605 BFGS: 2074 15:17:14 3.121536 0.2601 BFGS: 2075 15:17:14 3.104111 0.2596 BFGS: 2076 15:17:14 3.086788 0.2592 BFGS: 2077 15:17:14 3.069565 0.2588 BFGS: 2078 15:17:14 3.052439 0.2584 BFGS: 2079 15:17:14 3.035407 0.2579 BFGS: 2080 15:17:14 3.018466 0.2575 BFGS: 2081 15:17:14 3.001614 0.2570 BFGS: 2082 15:17:14 2.984849 0.2566 BFGS: 2083 15:17:14 2.968167 0.2562 BFGS: 2084 15:17:14 2.951567 0.2557 BFGS: 2085 15:17:14 2.935046 0.2552 BFGS: 2086 15:17:14 2.918603 0.2548 BFGS: 2087 15:17:14 2.902236 0.2543 BFGS: 2088 15:17:14 2.885942 0.2542 BFGS: 2089 15:17:14 2.869719 0.2583 BFGS: 2090 15:17:14 2.853567 0.2622 BFGS: 2091 15:17:14 2.837483 0.2661 BFGS: 2092 15:17:14 2.821465 0.2699 BFGS: 2093 15:17:14 2.805513 0.2736 BFGS: 2094 15:17:14 2.789624 0.2773 BFGS: 2095 15:17:14 2.773797 0.2808 BFGS: 2096 15:17:14 2.758032 0.2843 BFGS: 2097 15:17:14 2.742326 0.2877 BFGS: 2098 15:17:14 2.726678 0.2910 BFGS: 2099 15:17:14 2.711088 0.2942 BFGS: 2100 15:17:14 2.695554 0.2974 BFGS: 2101 15:17:14 2.680075 0.3004 BFGS: 2102 15:17:14 2.664650 0.3034 BFGS: 2103 15:17:14 2.649279 0.3064 BFGS: 2104 15:17:14 2.633960 0.3092 BFGS: 2105 15:17:14 2.618692 0.3120 BFGS: 2106 15:17:14 2.603475 0.3146 BFGS: 2107 15:17:14 2.588308 0.3173 BFGS: 2108 15:17:14 2.573190 0.3198 BFGS: 2109 15:17:14 2.558121 0.3223 BFGS: 2110 15:17:14 2.543100 0.3247 BFGS: 2111 15:17:14 2.528127 0.3270 BFGS: 2112 15:17:14 2.513200 0.3292 BFGS: 2113 15:17:14 2.498319 0.3314 BFGS: 2114 15:17:14 2.483484 0.3335 BFGS: 2115 15:17:14 2.468695 0.3356 BFGS: 2116 15:17:14 2.453951 0.3376 BFGS: 2117 15:17:14 2.439251 0.3395 BFGS: 2118 15:17:14 2.424595 0.3413 BFGS: 2119 15:17:14 2.409984 0.3431 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0.2414 BFGS: 2259 15:17:15 0.805199 0.2397 BFGS: 2260 15:17:15 0.797108 0.2380 BFGS: 2261 15:17:15 0.789067 0.2364 BFGS: 2262 15:17:15 0.781076 0.2347 BFGS: 2263 15:17:15 0.773141 0.2330 BFGS: 2264 15:17:15 0.765260 0.2314 BFGS: 2265 15:17:15 0.757434 0.2297 BFGS: 2266 15:17:15 0.749663 0.2281 BFGS: 2267 15:17:15 0.741946 0.2264 BFGS: 2268 15:17:15 0.734283 0.2248 BFGS: 2269 15:17:15 0.726675 0.2232 BFGS: 2270 15:17:15 0.719120 0.2215 BFGS: 2271 15:17:15 0.711620 0.2199 BFGS: 2272 15:17:15 0.704173 0.2183 BFGS: 2273 15:17:15 0.696779 0.2167 BFGS: 2274 15:17:15 0.689439 0.2150 BFGS: 2275 15:17:15 0.682152 0.2134 BFGS: 2276 15:17:15 0.674919 0.2118 BFGS: 2277 15:17:15 0.667738 0.2102 BFGS: 2278 15:17:15 0.660609 0.2086 BFGS: 2279 15:17:16 0.653534 0.2070 BFGS: 2280 15:17:16 0.646511 0.2054 BFGS: 2281 15:17:16 0.639540 0.2038 BFGS: 2282 15:17:16 0.632621 0.2023 BFGS: 2283 15:17:16 0.625755 0.2007 BFGS: 2284 15:17:16 0.618940 0.1991 BFGS: 2285 15:17:16 0.612177 0.1975 BFGS: 2286 15:17:16 0.605465 0.1960 BFGS: 2287 15:17:16 0.598805 0.1944 BFGS: 2288 15:17:16 0.592197 0.1928 BFGS: 2289 15:17:16 0.585639 0.1913 BFGS: 2290 15:17:16 0.579133 0.1897 BFGS: 2291 15:17:16 0.572677 0.1882 BFGS: 2292 15:17:16 0.566272 0.1866 BFGS: 2293 15:17:16 0.559917 0.1851 BFGS: 2294 15:17:16 0.553613 0.1836 BFGS: 2295 15:17:16 0.547359 0.1820 BFGS: 2296 15:17:16 0.541156 0.1805 BFGS: 2297 15:17:16 0.535002 0.1790 BFGS: 2298 15:17:16 0.528898 0.1775 BFGS: 2299 15:17:16 0.522844 0.1760 BFGS: 2300 15:17:16 0.516839 0.1744 BFGS: 2301 15:17:16 0.510884 0.1729 BFGS: 2302 15:17:16 0.504977 0.1714 BFGS: 2303 15:17:16 0.499120 0.1699 BFGS: 2304 15:17:16 0.493312 0.1684 BFGS: 2305 15:17:16 0.487553 0.1669 BFGS: 2306 15:17:16 0.481842 0.1654 BFGS: 2307 15:17:16 0.476179 0.1640 BFGS: 2308 15:17:16 0.470565 0.1625 BFGS: 2309 15:17:16 0.465000 0.1610 BFGS: 2310 15:17:16 0.459482 0.1595 BFGS: 2311 15:17:16 0.454012 0.1581 BFGS: 2312 15:17:16 0.448589 0.1566 BFGS: 2313 15:17:16 0.443214 0.1551 BFGS: 2314 15:17:16 0.437887 0.1537 BFGS: 2315 15:17:16 0.432607 0.1522 BFGS: 2316 15:17:16 0.427374 0.1508 BFGS: 2317 15:17:16 0.422187 0.1493 BFGS: 2318 15:17:16 0.417048 0.1479 BFGS: 2319 15:17:16 0.411955 0.1464 BFGS: 2320 15:17:16 0.406909 0.1450 BFGS: 2321 15:17:16 0.401908 0.1436 BFGS: 2322 15:17:16 0.396954 0.1421 BFGS: 2323 15:17:16 0.392046 0.1407 BFGS: 2324 15:17:16 0.387184 0.1393 BFGS: 2325 15:17:16 0.382367 0.1379 BFGS: 2326 15:17:16 0.377596 0.1365 BFGS: 2327 15:17:16 0.372869 0.1350 BFGS: 2328 15:17:16 0.368180 0.1336 BFGS: 2329 15:17:16 0.363526 0.1322 BFGS: 2330 15:17:16 0.358908 0.1309 BFGS: 2331 15:17:16 0.354325 0.1295 BFGS: 2332 15:17:16 0.349776 0.1281 BFGS: 2333 15:17:16 0.345262 0.1267 BFGS: 2334 15:17:16 0.340782 0.1254 BFGS: 2335 15:17:16 0.336336 0.1240 BFGS: 2336 15:17:16 0.331924 0.1226 BFGS: 2337 15:17:16 0.327545 0.1213 BFGS: 2338 15:17:16 0.323200 0.1200 BFGS: 2339 15:17:16 0.318888 0.1186 BFGS: 2340 15:17:16 0.314609 0.1173 BFGS: 2341 15:17:16 0.310363 0.1160 BFGS: 2342 15:17:16 0.306150 0.1147 BFGS: 2343 15:17:16 0.301969 0.1134 BFGS: 2344 15:17:16 0.297820 0.1121 BFGS: 2345 15:17:16 0.293704 0.1108 BFGS: 2346 15:17:16 0.289619 0.1095 BFGS: 2347 15:17:16 0.285567 0.1082 BFGS: 2348 15:17:16 0.281546 0.1069 BFGS: 2349 15:17:16 0.277556 0.1057 BFGS: 2350 15:17:16 0.273597 0.1044 BFGS: 2351 15:17:16 0.269671 0.1032 BFGS: 2352 15:17:16 0.265775 0.1019 BFGS: 2353 15:17:16 0.261911 0.1007 BFGS: 2354 15:17:16 0.258078 0.0994 BFGS: 2355 15:17:16 0.254276 0.0982 BFGS: 2356 15:17:16 0.250505 0.0970 BFGS: 2357 15:17:16 0.246765 0.0958 BFGS: 2358 15:17:16 0.243055 0.0946 BFGS: 2359 15:17:16 0.239375 0.0934 BFGS: 2360 15:17:16 0.235725 0.0922 BFGS: 2361 15:17:16 0.232106 0.0910 BFGS: 2362 15:17:16 0.228516 0.0899 BFGS: 2363 15:17:16 0.224956 0.0887 BFGS: 2364 15:17:16 0.221426 0.0875 BFGS: 2365 15:17:16 0.217926 0.0864 BFGS: 2366 15:17:16 0.214455 0.0852 BFGS: 2367 15:17:16 0.211013 0.0841 BFGS: 2368 15:17:16 0.207601 0.0830 BFGS: 2369 15:17:16 0.204219 0.0819 BFGS: 2370 15:17:16 0.200865 0.0808 BFGS: 2371 15:17:16 0.197541 0.0797 BFGS: 2372 15:17:16 0.194246 0.0786 BFGS: 2373 15:17:16 0.190979 0.0775 BFGS: 2374 15:17:16 0.187742 0.0764 BFGS: 2375 15:17:16 0.184534 0.0753 BFGS: 2376 15:17:16 0.181354 0.0742 BFGS: 2377 15:17:16 0.178203 0.0732 BFGS: 2378 15:17:16 0.175081 0.0721 BFGS: 2379 15:17:16 0.171988 0.0711 BFGS: 2380 15:17:16 0.168924 0.0700 BFGS: 2381 15:17:16 0.165887 0.0690 BFGS: 2382 15:17:16 0.162880 0.0680 BFGS: 2383 15:17:17 0.159901 0.0670 BFGS: 2384 15:17:17 0.156951 0.0659 BFGS: 2385 15:17:17 0.154028 0.0649 BFGS: 2386 15:17:17 0.151135 0.0639 BFGS: 2387 15:17:17 0.148269 0.0629 BFGS: 2388 15:17:17 0.145432 0.0620 BFGS: 2389 15:17:17 0.142624 0.0610 BFGS: 2390 15:17:17 0.139843 0.0600 BFGS: 2391 15:17:17 0.137091 0.0590 BFGS: 2392 15:17:17 0.134367 0.0581 BFGS: 2393 15:17:17 0.131671 0.0571 BFGS: 2394 15:17:17 0.129003 0.0562 BFGS: 2395 15:17:17 0.126364 0.0553 BFGS: 2396 15:17:17 0.123752 0.0543 BFGS: 2397 15:17:17 0.121169 0.0534 BFGS: 2398 15:17:17 0.118613 0.0525 BFGS: 2399 15:17:17 0.116085 0.0516 BFGS: 2400 15:17:17 0.113586 0.0509 BFGS: 2401 15:17:17 0.111114 0.0506 BFGS: 2402 15:17:17 0.108670 0.0502 BFGS: 2403 15:17:17 0.106254 0.0498 BFGS: 2404 15:17:17 0.103866 0.0494 BFGS: 2405 15:17:17 0.101506 0.0491 BFGS: 2406 15:17:17 0.099174 0.0487 BFGS: 2407 15:17:17 0.096869 0.0483 BFGS: 2408 15:17:17 0.094592 0.0479 BFGS: 2409 15:17:17 0.092343 0.0475 BFGS: 2410 15:17:17 0.090122 0.0471 BFGS: 2411 15:17:17 0.087928 0.0467 BFGS: 2412 15:17:17 0.085762 0.0463 BFGS: 2413 15:17:17 0.083623 0.0459 BFGS: 2414 15:17:17 0.081512 0.0455 BFGS: 2415 15:17:17 0.079429 0.0451 BFGS: 2416 15:17:17 0.077373 0.0447 BFGS: 2417 15:17:17 0.075345 0.0443 BFGS: 2418 15:17:17 0.073344 0.0438 BFGS: 2419 15:17:17 0.071371 0.0434 BFGS: 2420 15:17:17 0.069425 0.0430 BFGS: 2421 15:17:17 0.067507 0.0426 BFGS: 2422 15:17:17 0.065616 0.0421 BFGS: 2423 15:17:17 0.063753 0.0416 BFGS: 2424 15:17:17 0.061917 0.0411 BFGS: 2425 15:17:17 0.060109 0.0406 BFGS: 2426 15:17:17 0.058329 0.0401 BFGS: 2427 15:17:17 0.056576 0.0396 BFGS: 2428 15:17:17 0.054852 0.0391 BFGS: 2429 15:17:17 0.053154 0.0386 BFGS: 2430 15:17:17 0.051485 0.0381 BFGS: 2431 15:17:17 0.049842 0.0376 BFGS: 2432 15:17:17 0.048228 0.0371 BFGS: 2433 15:17:17 0.046641 0.0366 BFGS: 2434 15:17:17 0.045081 0.0361 BFGS: 2435 15:17:17 0.043548 0.0356 BFGS: 2436 15:17:17 0.042043 0.0351 BFGS: 2437 15:17:17 0.040565 0.0346 BFGS: 2438 15:17:17 0.039114 0.0341 BFGS: 2439 15:17:17 0.037691 0.0336 BFGS: 2440 15:17:17 0.036294 0.0331 BFGS: 2441 15:17:17 0.034925 0.0326 BFGS: 2442 15:17:17 0.033583 0.0321 BFGS: 2443 15:17:17 0.032268 0.0315 BFGS: 2444 15:17:17 0.030980 0.0310 BFGS: 2445 15:17:17 0.029718 0.0305 BFGS: 2446 15:17:17 0.028484 0.0300 BFGS: 2447 15:17:17 0.027277 0.0295 BFGS: 2448 15:17:17 0.026096 0.0290 BFGS: 2449 15:17:17 0.024942 0.0285 BFGS: 2450 15:17:17 0.023815 0.0280 BFGS: 2451 15:17:17 0.022715 0.0275 BFGS: 2452 15:17:17 0.021641 0.0269 BFGS: 2453 15:17:17 0.020595 0.0264 BFGS: 2454 15:17:17 0.019574 0.0259 BFGS: 2455 15:17:17 0.018581 0.0254 BFGS: 2456 15:17:17 0.017613 0.0249 BFGS: 2457 15:17:17 0.016673 0.0244 BFGS: 2458 15:17:17 0.015759 0.0239 BFGS: 2459 15:17:17 0.014871 0.0233 BFGS: 2460 15:17:17 0.014010 0.0228 BFGS: 2461 15:17:17 0.013175 0.0223 BFGS: 2462 15:17:17 0.012366 0.0218 BFGS: 2463 15:17:17 0.011584 0.0213 BFGS: 2464 15:17:17 0.010828 0.0208 BFGS: 2465 15:17:17 0.010099 0.0202 BFGS: 2466 15:17:17 0.009395 0.0197 BFGS: 2467 15:17:17 0.008718 0.0192 BFGS: 2468 15:17:17 0.008067 0.0187 BFGS: 2469 15:17:17 0.007442 0.0182 BFGS: 2470 15:17:17 0.006843 0.0177 BFGS: 2471 15:17:17 0.006270 0.0171 BFGS: 2472 15:17:17 0.005723 0.0166 BFGS: 2473 15:17:17 0.005202 0.0161 BFGS: 2474 15:17:17 0.004707 0.0156 BFGS: 2475 15:17:17 0.004238 0.0151 BFGS: 2476 15:17:17 0.003795 0.0146 BFGS: 2477 15:17:17 0.003377 0.0140 BFGS: 2478 15:17:17 0.002985 0.0135 BFGS: 2479 15:17:17 0.002619 0.0130 BFGS: 2480 15:17:17 0.002278 0.0125 BFGS: 2481 15:17:17 0.001963 0.0120 BFGS: 2482 15:17:17 0.001673 0.0115 BFGS: 2483 15:17:17 0.001408 0.0110 BFGS: 2484 15:17:17 0.001169 0.0105 BFGS: 2485 15:17:17 0.000955 0.0100 BFGS: 2486 15:17:17 0.000767 0.0093 BFGS: 2487 15:17:18 0.000599 0.0082 BFGS: 2488 15:17:18 0.000453 0.0071 BFGS: 2489 15:17:18 0.000327 0.0059 BFGS: 2490 15:17:18 0.000221 0.0048 BFGS: 2491 15:17:18 0.000137 0.0037 BFGS: 2492 15:17:18 0.000072 0.0027 BFGS: 2493 15:17:18 0.000029 0.0022 BFGS: 2494 15:17:18 0.000005 0.0018 BFGS: 2495 15:17:18 0.000001 0.0009 BFGS: 2496 15:17:18 0.000000 0.0003 BFGS: 2497 15:17:18 -0.000000 0.0000 BFGS: 2498 15:17:18 -0.000000 0.0000 Minimization converged after 2498 steps. Maximum force component: 6.252833668560296e-13 eV/Angstrom Maximum stress component: 1.7032622778360394e-16 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'] basis = [[3.33333330e-01 6.66666670e-01 8.80353480e-01] [6.66666663e-01 3.33333337e-01 8.80353480e-01] [6.66666663e-01 3.33333337e-01 1.19646520e-01] [3.33333330e-01 6.66666670e-01 1.19646520e-01] [7.09645528e-01 3.33333361e-09 0.00000000e+00] [9.99999997e-01 7.09645534e-01 6.76354451e-36] [2.90354466e-01 2.90354472e-01 1.48929125e-36] [2.90354466e-01 3.33333361e-09 0.00000000e+00] [9.99999997e-01 2.90354472e-01 1.24231166e-35] [7.09645528e-01 7.09645534e-01 0.00000000e+00] [7.46286362e-01 4.92572734e-01 5.00000000e-01] [5.07427266e-01 2.53713638e-01 5.00000000e-01] [7.46286362e-01 2.53713638e-01 5.00000000e-01] [2.53713631e-01 5.07427272e-01 5.00000000e-01] [4.92572728e-01 7.46286369e-01 5.00000000e-01] [2.53713631e-01 7.46286369e-01 5.00000000e-01] [3.74370814e-01 3.33333361e-09 7.53525889e-01] [9.99999997e-01 3.74370820e-01 7.53525889e-01] [6.25629180e-01 6.25629186e-01 7.53525889e-01] [6.25629180e-01 3.33333361e-09 7.53525889e-01] [9.99999997e-01 6.25629186e-01 7.53525889e-01] [3.74370814e-01 3.74370820e-01 7.53525889e-01] [9.99999997e-01 3.74370820e-01 2.46474111e-01] [3.74370814e-01 3.33333361e-09 2.46474111e-01] [6.25629180e-01 6.25629186e-01 2.46474111e-01] [9.99999997e-01 6.25629186e-01 2.46474111e-01] [6.25629180e-01 3.33333361e-09 2.46474111e-01] [3.74370814e-01 3.74370820e-01 2.46474111e-01] [8.61775368e-01 7.23550747e-01 6.30563357e-01] [2.76449253e-01 1.38224632e-01 6.30563357e-01] [8.61775368e-01 1.38224632e-01 6.30563357e-01] [1.38224625e-01 2.76449260e-01 6.30563357e-01] [7.23550740e-01 8.61775375e-01 6.30563357e-01] [1.38224625e-01 8.61775375e-01 6.30563357e-01] [7.23550740e-01 8.61775375e-01 3.69436643e-01] [1.38224625e-01 2.76449260e-01 3.69436643e-01] [1.38224625e-01 8.61775375e-01 3.69436643e-01] [2.76449253e-01 1.38224632e-01 3.69436643e-01] [8.61775368e-01 7.23550747e-01 3.69436643e-01] [8.61775368e-01 1.38224632e-01 3.69436643e-01]] cellpar = Cell([[41.8656862940936, -8.771754692524832e-17, 5.262933418481941e-36], [-20.9328431470468, 36.25674787755506, 7.536202520558268e-37], [2.9509866559623216e-35, 9.499628134865667e-35, 41.88985731989626]]) 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] [ 1.78808587e-29 6.25283367e-13 5.83791624e-50] [-5.41511280e-13 -3.12641683e-13 -9.72629383e-50] [ 5.41511280e-13 -3.12641683e-13 3.88837759e-50] [ 6.37368562e-29 -6.25283367e-13 -5.83791624e-50] [ 5.41511280e-13 3.12641683e-13 9.72629383e-50] [-5.41511280e-13 3.12641683e-13 -3.88837759e-50] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 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 = [-1.70326228e-16 -1.70326228e-16 -1.94453129e-87 3.86259570e-52 1.19988574e-52 -1.53868537e-32] energy per atom = -1.554312234475219e-16 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0