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 11:51:38 2797.155374 77.202679 BFGS: 1 11:51:38 2785.361222 76.801662 BFGS: 2 11:51:38 2773.666325 76.402969 BFGS: 3 11:51:39 2762.056038 76.006443 BFGS: 4 11:51:39 2750.520832 75.611714 BFGS: 5 11:51:39 2739.054639 75.218995 BFGS: 6 11:51:39 2727.652419 74.828195 BFGS: 7 11:51:39 2716.310391 74.438851 BFGS: 8 11:51:40 2705.026588 74.050919 BFGS: 9 11:51:40 2693.807400 73.664634 BFGS: 10 11:51:40 2682.654586 73.280086 BFGS: 11 11:51:40 2671.567722 72.897400 BFGS: 12 11:51:40 2660.550258 72.516541 BFGS: 13 11:51:41 2649.601551 72.137501 BFGS: 14 11:51:41 2638.721762 71.760346 BFGS: 15 11:51:41 2627.914704 71.385193 BFGS: 16 11:51:41 2617.179430 71.012641 BFGS: 17 11:51:42 2606.520643 70.642664 BFGS: 18 11:51:42 2595.938896 70.276765 BFGS: 19 11:51:42 2585.431280 69.913388 BFGS: 20 11:51:42 2574.998807 69.554253 BFGS: 21 11:51:42 2564.639740 69.200300 BFGS: 22 11:51:43 2554.350472 68.851660 BFGS: 23 11:51:43 2544.130111 68.507277 BFGS: 24 11:51:43 2533.973307 68.169833 BFGS: 25 11:51:43 2523.875725 67.836954 BFGS: 26 11:51:44 2513.834360 67.506967 BFGS: 27 11:51:44 2503.846639 67.183990 BFGS: 28 11:51:44 2493.909589 66.862212 BFGS: 29 11:51:44 2484.022259 66.541595 BFGS: 30 11:51:45 2474.183771 66.223559 BFGS: 31 11:51:45 2464.392674 65.907155 BFGS: 32 11:51:45 2454.647951 65.591844 BFGS: 33 11:51:45 2444.948877 65.277598 BFGS: 34 11:51:45 2435.294876 64.964394 BFGS: 35 11:51:46 2425.685443 64.653197 BFGS: 36 11:51:46 2416.118496 64.343066 BFGS: 37 11:51:46 2406.593491 64.033869 BFGS: 38 11:51:46 2397.110127 63.725593 BFGS: 39 11:51:47 2387.668150 63.418229 BFGS: 40 11:51:47 2378.267342 63.111768 BFGS: 41 11:51:47 2368.907508 62.806592 BFGS: 42 11:51:47 2359.587890 62.503883 BFGS: 43 11:51:48 2350.306561 62.202031 BFGS: 44 11:51:48 2341.063535 61.901027 BFGS: 45 11:51:48 2331.858801 61.600862 BFGS: 46 11:51:48 2322.692334 61.301530 BFGS: 47 11:51:48 2313.564100 61.003025 BFGS: 48 11:51:49 2304.474057 60.705341 BFGS: 49 11:51:49 2295.422164 60.408474 BFGS: 50 11:51:49 2286.408377 60.112420 BFGS: 51 11:51:49 2277.432651 59.817175 BFGS: 52 11:51:50 2268.494944 59.522736 BFGS: 53 11:51:50 2259.595213 59.229101 BFGS: 54 11:51:50 2250.733415 58.936266 BFGS: 55 11:51:50 2241.909439 58.644456 BFGS: 56 11:51:51 2233.125989 58.353544 BFGS: 57 11:51:51 2224.383097 58.063531 BFGS: 58 11:51:51 2215.680750 57.774418 BFGS: 59 11:51:51 2207.018905 57.486248 BFGS: 60 11:51:52 2198.397302 57.201352 BFGS: 61 11:51:52 2189.812479 56.918084 BFGS: 62 11:51:52 2181.268102 56.636093 BFGS: 63 11:51:52 2172.763655 56.356168 BFGS: 64 11:51:52 2164.298472 56.080068 BFGS: 65 11:51:53 2155.867094 55.806409 BFGS: 66 11:51:53 2147.471089 55.534342 BFGS: 67 11:51:53 2139.119096 55.263957 BFGS: 68 11:51:53 2130.810968 54.995315 BFGS: 69 11:51:53 2122.545152 54.727997 BFGS: 70 11:51:53 2114.315612 54.463570 BFGS: 71 11:51:54 2106.122110 54.200253 BFGS: 72 11:51:54 2097.964801 53.939232 BFGS: 73 11:51:54 2089.851917 53.679787 BFGS: 74 11:51:54 2081.784628 53.421459 BFGS: 75 11:51:54 2073.762805 53.164245 BFGS: 76 11:51:55 2065.786313 52.908141 BFGS: 77 11:51:55 2057.855012 52.653142 BFGS: 78 11:51:55 2049.968751 52.399245 BFGS: 79 11:51:55 2042.127348 52.147411 BFGS: 80 11:51:55 2034.329285 51.897795 BFGS: 81 11:51:55 2026.572925 51.649162 BFGS: 82 11:51:55 2018.858113 51.401508 BFGS: 83 11:51:56 2011.184693 51.154829 BFGS: 84 11:51:56 2003.552408 50.910603 BFGS: 85 11:51:56 1995.960156 50.669080 BFGS: 86 11:51:56 1988.406866 50.428517 BFGS: 87 11:51:56 1980.892693 50.188908 BFGS: 88 11:51:56 1973.417714 49.950669 BFGS: 89 11:51:57 1965.981464 49.715081 BFGS: 90 11:51:57 1958.583003 49.481099 BFGS: 91 11:51:57 1951.223632 49.248061 BFGS: 92 11:51:57 1943.904292 49.017484 BFGS: 93 11:51:57 1936.628502 48.788702 BFGS: 94 11:51:57 1929.395757 48.562304 BFGS: 95 11:51:57 1922.205429 48.338728 BFGS: 96 11:51:58 1915.056533 48.116083 BFGS: 97 11:51:58 1907.949042 47.894393 BFGS: 98 11:51:58 1900.882839 47.673672 BFGS: 99 11:51:58 1893.857660 47.456507 BFGS: 100 11:51:58 1886.869659 47.241999 BFGS: 101 11:51:58 1879.916225 47.029681 BFGS: 102 11:51:59 1872.995349 46.819290 BFGS: 103 11:51:59 1866.105637 46.610027 BFGS: 104 11:51:59 1859.246245 46.405379 BFGS: 105 11:51:59 1852.416651 46.203312 BFGS: 106 11:51:59 1845.617408 46.003182 BFGS: 107 11:52:00 1838.847157 45.803638 BFGS: 108 11:52:00 1832.105584 45.604663 BFGS: 109 11:52:00 1825.392442 45.406264 BFGS: 110 11:52:00 1818.707503 45.208669 BFGS: 111 11:52:00 1812.051071 45.012232 BFGS: 112 11:52:00 1805.424483 44.817336 BFGS: 113 11:52:01 1798.826500 44.623229 BFGS: 114 11:52:01 1792.257413 44.429990 BFGS: 115 11:52:01 1785.720485 44.238569 BFGS: 116 11:52:01 1779.214417 44.049089 BFGS: 117 11:52:01 1772.740652 43.861612 BFGS: 118 11:52:01 1766.299339 43.676868 BFGS: 119 11:52:02 1759.887652 43.493810 BFGS: 120 11:52:02 1753.505143 43.311850 BFGS: 121 11:52:02 1747.151935 43.130622 BFGS: 122 11:52:02 1740.827888 42.950114 BFGS: 123 11:52:02 1734.532819 42.770316 BFGS: 124 11:52:02 1728.266520 42.591216 BFGS: 125 11:52:02 1722.028766 42.412804 BFGS: 126 11:52:03 1715.819326 42.235069 BFGS: 127 11:52:03 1709.637966 42.058001 BFGS: 128 11:52:03 1703.484455 41.881592 BFGS: 129 11:52:03 1697.358565 41.705830 BFGS: 130 11:52:03 1691.260071 41.530709 BFGS: 131 11:52:03 1685.188758 41.356219 BFGS: 132 11:52:04 1679.144414 41.182352 BFGS: 133 11:52:04 1673.126836 41.009102 BFGS: 134 11:52:04 1667.135826 40.836459 BFGS: 135 11:52:04 1661.171193 40.664418 BFGS: 136 11:52:04 1655.232754 40.492972 BFGS: 137 11:52:04 1649.320331 40.322113 BFGS: 138 11:52:04 1643.433751 40.151837 BFGS: 139 11:52:05 1637.572848 39.982137 BFGS: 140 11:52:05 1631.737462 39.813007 BFGS: 141 11:52:05 1625.927437 39.644441 BFGS: 142 11:52:05 1620.142622 39.476435 BFGS: 143 11:52:05 1614.382873 39.308982 BFGS: 144 11:52:05 1608.648046 39.142079 BFGS: 145 11:52:06 1602.938007 38.975720 BFGS: 146 11:52:06 1597.252589 38.809917 BFGS: 147 11:52:06 1591.593332 38.647049 BFGS: 148 11:52:06 1585.958479 38.485581 BFGS: 149 11:52:06 1580.347234 38.324621 BFGS: 150 11:52:06 1574.759540 38.164166 BFGS: 151 11:52:07 1569.195331 38.004812 BFGS: 152 11:52:07 1563.653892 37.847000 BFGS: 153 11:52:07 1558.134252 37.689653 BFGS: 154 11:52:07 1552.636423 37.532769 BFGS: 155 11:52:07 1547.160399 37.376345 BFGS: 156 11:52:07 1541.706160 37.220379 BFGS: 157 11:52:07 1536.273620 37.065266 BFGS: 158 11:52:08 1530.864396 36.911075 BFGS: 159 11:52:08 1525.480193 36.757690 BFGS: 160 11:52:08 1520.121872 36.605069 BFGS: 161 11:52:08 1514.788951 36.454305 BFGS: 162 11:52:08 1509.480273 36.304495 BFGS: 163 11:52:08 1504.196113 36.156776 BFGS: 164 11:52:08 1498.935359 36.010760 BFGS: 165 11:52:09 1493.696688 35.866826 BFGS: 166 11:52:09 1488.478498 35.723281 BFGS: 167 11:52:09 1483.280740 35.580129 BFGS: 168 11:52:09 1478.103368 35.437373 BFGS: 169 11:52:09 1472.946335 35.295014 BFGS: 170 11:52:09 1467.809592 35.153055 BFGS: 171 11:52:10 1462.693093 35.011496 BFGS: 172 11:52:10 1457.596789 34.870337 BFGS: 173 11:52:10 1452.520631 34.729579 BFGS: 174 11:52:10 1447.464568 34.589356 BFGS: 175 11:52:10 1442.428324 34.451156 BFGS: 176 11:52:10 1437.410111 34.313330 BFGS: 177 11:52:11 1432.409908 34.175848 BFGS: 178 11:52:11 1427.427692 34.039127 BFGS: 179 11:52:11 1422.463935 33.903188 BFGS: 180 11:52:11 1417.520111 33.767685 BFGS: 181 11:52:11 1412.596048 33.632607 BFGS: 182 11:52:12 1407.691588 33.497946 BFGS: 183 11:52:12 1402.806588 33.363695 BFGS: 184 11:52:12 1397.940918 33.229846 BFGS: 185 11:52:12 1393.094460 33.096396 BFGS: 186 11:52:12 1388.267104 32.963339 BFGS: 187 11:52:13 1383.458746 32.830670 BFGS: 188 11:52:13 1378.669293 32.698386 BFGS: 189 11:52:13 1373.898655 32.566484 BFGS: 190 11:52:13 1369.146747 32.434959 BFGS: 191 11:52:13 1364.413492 32.303810 BFGS: 192 11:52:14 1359.698812 32.173033 BFGS: 193 11:52:14 1355.002637 32.042626 BFGS: 194 11:52:14 1350.324897 31.912587 BFGS: 195 11:52:14 1345.665526 31.782913 BFGS: 196 11:52:14 1341.024460 31.653603 BFGS: 197 11:52:15 1336.401638 31.524654 BFGS: 198 11:52:15 1331.796999 31.396065 BFGS: 199 11:52:15 1327.210487 31.267833 BFGS: 200 11:52:15 1322.642044 31.139958 BFGS: 201 11:52:15 1318.091615 31.012436 BFGS: 202 11:52:16 1313.559147 30.885268 BFGS: 203 11:52:16 1309.044584 30.758450 BFGS: 204 11:52:16 1304.548067 30.631983 BFGS: 205 11:52:16 1300.069613 30.505865 BFGS: 206 11:52:17 1295.609175 30.380097 BFGS: 207 11:52:17 1291.166676 30.254849 BFGS: 208 11:52:17 1286.742365 30.130016 BFGS: 209 11:52:18 1282.336377 30.005768 BFGS: 210 11:52:18 1277.948500 29.882081 BFGS: 211 11:52:18 1273.578544 29.758757 BFGS: 212 11:52:18 1269.226488 29.635791 BFGS: 213 11:52:19 1264.892308 29.513184 BFGS: 214 11:52:19 1260.575980 29.390933 BFGS: 215 11:52:19 1256.277478 29.269036 BFGS: 216 11:52:19 1251.996758 29.147882 BFGS: 217 11:52:19 1247.733733 29.027691 BFGS: 218 11:52:20 1243.488400 28.907907 BFGS: 219 11:52:20 1239.260632 28.788518 BFGS: 220 11:52:20 1235.050320 28.669513 BFGS: 221 11:52:20 1230.857367 28.550994 BFGS: 222 11:52:20 1226.681559 28.433152 BFGS: 223 11:52:21 1222.522530 28.315667 BFGS: 224 11:52:21 1218.380193 28.198531 BFGS: 225 11:52:21 1214.254454 28.082445 BFGS: 226 11:52:21 1210.144799 27.967451 BFGS: 227 11:52:22 1206.050818 27.852728 BFGS: 228 11:52:22 1201.972541 27.738282 BFGS: 229 11:52:22 1197.909974 27.624116 BFGS: 230 11:52:22 1193.863113 27.510235 BFGS: 231 11:52:22 1189.831940 27.396641 BFGS: 232 11:52:23 1185.816429 27.283334 BFGS: 233 11:52:23 1181.816549 27.170316 BFGS: 234 11:52:23 1177.832266 27.057586 BFGS: 235 11:52:23 1173.863541 26.945146 BFGS: 236 11:52:24 1169.910337 26.832993 BFGS: 237 11:52:24 1165.972612 26.721128 BFGS: 238 11:52:24 1162.050328 26.609549 BFGS: 239 11:52:24 1158.143442 26.498329 BFGS: 240 11:52:24 1154.251806 26.388641 BFGS: 241 11:52:25 1150.374844 26.279699 BFGS: 242 11:52:25 1146.512421 26.171131 BFGS: 243 11:52:25 1142.664425 26.062829 BFGS: 244 11:52:25 1138.830767 25.954787 BFGS: 245 11:52:25 1135.011374 25.847002 BFGS: 246 11:52:25 1131.206161 25.739926 BFGS: 247 11:52:26 1127.415012 25.633482 BFGS: 248 11:52:26 1123.637911 25.528058 BFGS: 249 11:52:26 1119.875014 25.422907 BFGS: 250 11:52:26 1116.126446 25.318027 BFGS: 251 11:52:26 1112.392307 25.213416 BFGS: 252 11:52:26 1108.672674 25.109075 BFGS: 253 11:52:27 1104.967609 25.005003 BFGS: 254 11:52:27 1101.277158 24.901200 BFGS: 255 11:52:27 1097.601354 24.797665 BFGS: 256 11:52:27 1093.940225 24.694398 BFGS: 257 11:52:27 1090.293789 24.591400 BFGS: 258 11:52:28 1086.662056 24.488705 BFGS: 259 11:52:28 1083.045026 24.386707 BFGS: 260 11:52:28 1079.443632 24.285063 BFGS: 261 11:52:28 1075.857800 24.183764 BFGS: 262 11:52:28 1072.287462 24.082797 BFGS: 263 11:52:29 1068.732556 23.982156 BFGS: 264 11:52:29 1065.193026 23.881833 BFGS: 265 11:52:29 1061.668818 23.781824 BFGS: 266 11:52:29 1058.159856 23.682184 BFGS: 267 11:52:29 1054.666969 23.582854 BFGS: 268 11:52:29 1051.190173 23.483830 BFGS: 269 11:52:30 1047.729404 23.385115 BFGS: 270 11:52:30 1044.284576 23.286892 BFGS: 271 11:52:30 1040.856217 23.189048 BFGS: 272 11:52:30 1037.444817 23.091617 BFGS: 273 11:52:30 1034.051296 22.994824 BFGS: 274 11:52:31 1030.675383 22.899356 BFGS: 275 11:52:31 1027.316649 22.804542 BFGS: 276 11:52:31 1023.974985 22.710782 BFGS: 277 11:52:31 1020.650340 22.617339 BFGS: 278 11:52:32 1017.342697 22.524330 BFGS: 279 11:52:32 1014.051780 22.434964 BFGS: 280 11:52:32 1010.775397 22.346532 BFGS: 281 11:52:32 1007.513138 22.259625 BFGS: 282 11:52:32 1004.264224 22.173408 BFGS: 283 11:52:33 1001.028317 22.088645 BFGS: 284 11:52:33 997.804749 22.004116 BFGS: 285 11:52:33 994.593489 21.919821 BFGS: 286 11:52:33 991.394494 21.836094 BFGS: 287 11:52:33 988.207589 21.753720 BFGS: 288 11:52:34 985.032064 21.672205 BFGS: 289 11:52:34 981.867477 21.592044 BFGS: 290 11:52:34 978.713212 21.512075 BFGS: 291 11:52:34 975.569241 21.432293 BFGS: 292 11:52:34 972.435546 21.352697 BFGS: 293 11:52:34 969.312110 21.273283 BFGS: 294 11:52:35 966.198923 21.194051 BFGS: 295 11:52:35 963.095966 21.115023 BFGS: 296 11:52:35 960.003351 21.036189 BFGS: 297 11:52:35 956.921194 20.957534 BFGS: 298 11:52:35 953.849535 20.879062 BFGS: 299 11:52:35 950.788399 20.800772 BFGS: 300 11:52:35 947.737770 20.723708 BFGS: 301 11:52:36 944.696941 20.647241 BFGS: 302 11:52:36 941.665610 20.572248 BFGS: 303 11:52:36 938.643296 20.497491 BFGS: 304 11:52:36 935.631325 20.423012 BFGS: 305 11:52:36 932.630023 20.348776 BFGS: 306 11:52:36 929.639562 20.274728 BFGS: 307 11:52:37 926.659860 20.200868 BFGS: 308 11:52:37 923.690845 20.127198 BFGS: 309 11:52:37 920.732442 20.054015 BFGS: 310 11:52:37 917.784754 19.981424 BFGS: 311 11:52:37 914.848010 19.909287 BFGS: 312 11:52:37 911.922269 19.837793 BFGS: 313 11:52:37 909.007770 19.766518 BFGS: 314 11:52:37 906.104355 19.695456 BFGS: 315 11:52:38 903.211886 19.624604 BFGS: 316 11:52:38 900.330245 19.553957 BFGS: 317 11:52:38 897.459330 19.483513 BFGS: 318 11:52:38 894.599049 19.413268 BFGS: 319 11:52:38 891.749320 19.343221 BFGS: 320 11:52:38 888.910070 19.273368 BFGS: 321 11:52:38 886.081231 19.203709 BFGS: 322 11:52:39 883.262742 19.134240 BFGS: 323 11:52:39 880.454544 19.064961 BFGS: 324 11:52:39 877.656585 18.995870 BFGS: 325 11:52:39 874.868812 18.926965 BFGS: 326 11:52:39 872.091180 18.858245 BFGS: 327 11:52:39 869.323641 18.789709 BFGS: 328 11:52:39 866.566137 18.721699 BFGS: 329 11:52:40 863.818462 18.653875 BFGS: 330 11:52:40 861.080561 18.586234 BFGS: 331 11:52:40 858.352381 18.518773 BFGS: 332 11:52:40 855.633874 18.451491 BFGS: 333 11:52:40 852.924994 18.384385 BFGS: 334 11:52:40 850.225699 18.317454 BFGS: 335 11:52:40 847.535947 18.250697 BFGS: 336 11:52:41 844.855699 18.184111 BFGS: 337 11:52:41 842.184918 18.117695 BFGS: 338 11:52:41 839.523569 18.051448 BFGS: 339 11:52:41 836.871617 17.985369 BFGS: 340 11:52:41 834.229020 17.919523 BFGS: 341 11:52:41 831.595830 17.854261 BFGS: 342 11:52:42 828.972143 17.789216 BFGS: 343 11:52:42 826.357855 17.725510 BFGS: 344 11:52:42 823.752480 17.662989 BFGS: 345 11:52:42 821.155457 17.601275 BFGS: 346 11:52:42 818.566297 17.539797 BFGS: 347 11:52:42 815.984881 17.478484 BFGS: 348 11:52:43 813.411144 17.417328 BFGS: 349 11:52:43 810.845036 17.356322 BFGS: 350 11:52:43 808.286520 17.295461 BFGS: 351 11:52:43 805.735570 17.234738 BFGS: 352 11:52:43 803.192164 17.174152 BFGS: 353 11:52:43 800.656290 17.113698 BFGS: 354 11:52:44 798.127936 17.053374 BFGS: 355 11:52:44 795.607096 16.993178 BFGS: 356 11:52:44 793.093765 16.933107 BFGS: 357 11:52:44 790.587941 16.873161 BFGS: 358 11:52:44 788.089621 16.813337 BFGS: 359 11:52:44 785.598806 16.753635 BFGS: 360 11:52:45 783.115494 16.694053 BFGS: 361 11:52:45 780.639685 16.634592 BFGS: 362 11:52:45 778.171381 16.575249 BFGS: 363 11:52:45 775.710580 16.516025 BFGS: 364 11:52:45 773.257283 16.456918 BFGS: 365 11:52:45 770.811490 16.397928 BFGS: 366 11:52:46 768.373173 16.339654 BFGS: 367 11:52:46 765.941975 16.281577 BFGS: 368 11:52:46 763.517839 16.223621 BFGS: 369 11:52:46 761.100750 16.165783 BFGS: 370 11:52:46 758.690700 16.108058 BFGS: 371 11:52:46 756.287682 16.050444 BFGS: 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4.188851 BFGS: 778 11:53:51 242.736390 4.178539 BFGS: 779 11:53:51 242.111405 4.168248 BFGS: 780 11:53:52 241.487933 4.157979 BFGS: 781 11:53:52 240.865968 4.147731 BFGS: 782 11:53:52 240.245507 4.137504 BFGS: 783 11:53:52 239.626545 4.127298 BFGS: 784 11:53:52 239.009078 4.117113 BFGS: 785 11:53:53 238.393101 4.106949 BFGS: 786 11:53:53 237.778602 4.096959 BFGS: 787 11:53:53 237.165593 4.087028 BFGS: 788 11:53:53 236.554070 4.077122 BFGS: 789 11:53:53 235.944025 4.067240 BFGS: 790 11:53:53 235.335450 4.057383 BFGS: 791 11:53:54 234.728336 4.047548 BFGS: 792 11:53:54 234.122678 4.037736 BFGS: 793 11:53:54 233.518461 4.027990 BFGS: 794 11:53:54 232.915741 4.018311 BFGS: 795 11:53:54 232.314588 4.008659 BFGS: 796 11:53:55 231.714989 3.999032 BFGS: 797 11:53:55 231.116932 3.989430 BFGS: 798 11:53:55 230.520404 3.979852 BFGS: 799 11:53:55 229.925395 3.970298 BFGS: 800 11:53:55 229.331895 3.960767 BFGS: 801 11:53:55 228.739894 3.951259 BFGS: 802 11:53:56 228.149384 3.941773 BFGS: 803 11:53:56 227.560355 3.932309 BFGS: 804 11:53:56 226.972800 3.922866 BFGS: 805 11:53:56 226.386711 3.913446 BFGS: 806 11:53:56 225.802080 3.904046 BFGS: 807 11:53:56 225.218902 3.894668 BFGS: 808 11:53:57 224.637168 3.885310 BFGS: 809 11:53:57 224.056872 3.875974 BFGS: 810 11:53:57 223.478009 3.866658 BFGS: 811 11:53:57 222.900571 3.857362 BFGS: 812 11:53:57 222.324554 3.848087 BFGS: 813 11:53:57 221.749952 3.838832 BFGS: 814 11:53:58 221.176759 3.829597 BFGS: 815 11:53:58 220.604969 3.820381 BFGS: 816 11:53:58 220.034579 3.811186 BFGS: 817 11:53:58 219.465582 3.802010 BFGS: 818 11:53:58 218.897974 3.792854 BFGS: 819 11:53:59 218.331750 3.783717 BFGS: 820 11:53:59 217.766906 3.774600 BFGS: 821 11:53:59 217.203437 3.765502 BFGS: 822 11:53:59 216.641339 3.756423 BFGS: 823 11:53:59 216.080607 3.747362 BFGS: 824 11:53:59 215.521237 3.738321 BFGS: 825 11:54:00 214.963225 3.729298 BFGS: 826 11:54:00 214.406568 3.720295 BFGS: 827 11:54:00 213.851260 3.711309 BFGS: 828 11:54:00 213.297299 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11:54:05 199.355639 3.475358 BFGS: 855 11:54:05 198.836778 3.466853 BFGS: 856 11:54:05 198.319215 3.458365 BFGS: 857 11:54:05 197.802957 3.449894 BFGS: 858 11:54:05 197.288002 3.441439 BFGS: 859 11:54:05 196.774345 3.433001 BFGS: 860 11:54:06 196.261985 3.424580 BFGS: 861 11:54:06 195.750919 3.416174 BFGS: 862 11:54:06 195.241144 3.407785 BFGS: 863 11:54:06 194.732658 3.399413 BFGS: 864 11:54:06 194.225459 3.391056 BFGS: 865 11:54:07 193.719543 3.382716 BFGS: 866 11:54:07 193.214908 3.374392 BFGS: 867 11:54:07 192.711552 3.366083 BFGS: 868 11:54:07 192.209471 3.357791 BFGS: 869 11:54:07 191.708664 3.349515 BFGS: 870 11:54:08 191.209129 3.341254 BFGS: 871 11:54:08 190.710861 3.333009 BFGS: 872 11:54:08 190.213860 3.324780 BFGS: 873 11:54:08 189.718122 3.316566 BFGS: 874 11:54:08 189.223646 3.308368 BFGS: 875 11:54:09 188.730428 3.300185 BFGS: 876 11:54:09 188.238466 3.292018 BFGS: 877 11:54:09 187.747757 3.283866 BFGS: 878 11:54:09 187.258300 3.275730 BFGS: 879 11:54:09 186.770092 3.267609 BFGS: 880 11:54:10 186.283130 3.259503 BFGS: 881 11:54:10 185.797413 3.251412 BFGS: 882 11:54:10 185.312937 3.243336 BFGS: 883 11:54:10 184.829700 3.235275 BFGS: 884 11:54:10 184.347700 3.227230 BFGS: 885 11:54:11 183.866934 3.219199 BFGS: 886 11:54:11 183.387401 3.211183 BFGS: 887 11:54:11 182.909097 3.203182 BFGS: 888 11:54:11 182.432021 3.195196 BFGS: 889 11:54:12 181.956169 3.187224 BFGS: 890 11:54:12 181.481541 3.179268 BFGS: 891 11:54:12 181.008132 3.171325 BFGS: 892 11:54:12 180.535942 3.163398 BFGS: 893 11:54:12 180.064967 3.155485 BFGS: 894 11:54:13 179.595206 3.147586 BFGS: 895 11:54:13 179.126656 3.139702 BFGS: 896 11:54:13 178.659315 3.131832 BFGS: 897 11:54:13 178.193180 3.123977 BFGS: 898 11:54:13 177.728249 3.116135 BFGS: 899 11:54:14 177.264521 3.108309 BFGS: 900 11:54:14 176.801992 3.100496 BFGS: 901 11:54:14 176.340660 3.092697 BFGS: 902 11:54:14 175.880524 3.084913 BFGS: 903 11:54:14 175.421580 3.077142 BFGS: 904 11:54:15 174.963827 3.069386 BFGS: 905 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11:54:23 152.743071 2.686061 BFGS: 957 11:54:23 152.345084 2.679015 BFGS: 958 11:54:23 151.948168 2.671981 BFGS: 959 11:54:23 151.552319 2.664959 BFGS: 960 11:54:24 151.157536 2.657949 BFGS: 961 11:54:24 150.763816 2.650951 BFGS: 962 11:54:24 150.371159 2.643965 BFGS: 963 11:54:24 149.979562 2.636990 BFGS: 964 11:54:24 149.589022 2.630027 BFGS: 965 11:54:24 149.199539 2.623076 BFGS: 966 11:54:25 148.811110 2.616136 BFGS: 967 11:54:25 148.423734 2.609208 BFGS: 968 11:54:25 148.037408 2.602292 BFGS: 969 11:54:25 147.652131 2.595387 BFGS: 970 11:54:25 147.267900 2.588494 BFGS: 971 11:54:25 146.884715 2.581613 BFGS: 972 11:54:26 146.502572 2.574743 BFGS: 973 11:54:26 146.121471 2.567884 BFGS: 974 11:54:26 145.741409 2.561038 BFGS: 975 11:54:26 145.362385 2.554202 BFGS: 976 11:54:26 144.984396 2.547378 BFGS: 977 11:54:26 144.607441 2.540566 BFGS: 978 11:54:27 144.231519 2.533764 BFGS: 979 11:54:27 143.856626 2.526975 BFGS: 980 11:54:27 143.482762 2.520196 BFGS: 981 11:54:27 143.109924 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11:56:53 10.318268 0.366415 BFGS: 1847 11:56:53 10.274189 0.367348 BFGS: 1848 11:56:53 10.230223 0.368240 BFGS: 1849 11:56:53 10.186369 0.369092 BFGS: 1850 11:56:53 10.142629 0.369904 BFGS: 1851 11:56:54 10.099001 0.370678 BFGS: 1852 11:56:54 10.055487 0.371416 BFGS: 1853 11:56:54 10.012085 0.372117 BFGS: 1854 11:56:54 9.968795 0.372783 BFGS: 1855 11:56:54 9.925618 0.373415 BFGS: 1856 11:56:54 9.882554 0.374013 BFGS: 1857 11:56:54 9.839602 0.374579 BFGS: 1858 11:56:54 9.796762 0.375114 BFGS: 1859 11:56:54 9.754034 0.375618 BFGS: 1860 11:56:55 9.711419 0.376092 BFGS: 1861 11:56:55 9.668915 0.376537 BFGS: 1862 11:56:55 9.626524 0.376953 BFGS: 1863 11:56:55 9.584244 0.377342 BFGS: 1864 11:56:55 9.542075 0.377705 BFGS: 1865 11:56:55 9.500019 0.378041 BFGS: 1866 11:56:55 9.458073 0.378351 BFGS: 1867 11:56:56 9.416240 0.378637 BFGS: 1868 11:56:56 9.374517 0.378899 BFGS: 1869 11:56:56 9.332905 0.379137 BFGS: 1870 11:56:56 9.291405 0.379352 BFGS: 1871 11:56:56 9.250015 0.379545 BFGS: 1872 11:56:56 9.208736 0.379716 BFGS: 1873 11:56:56 9.167568 0.379866 BFGS: 1874 11:56:56 9.126511 0.379995 BFGS: 1875 11:56:57 9.085563 0.380104 BFGS: 1876 11:56:57 9.044726 0.380193 BFGS: 1877 11:56:57 9.004000 0.380263 BFGS: 1878 11:56:57 8.963383 0.380315 BFGS: 1879 11:56:57 8.922877 0.380348 BFGS: 1880 11:56:57 8.882480 0.380364 BFGS: 1881 11:56:57 8.842193 0.380362 BFGS: 1882 11:56:57 8.802016 0.380343 BFGS: 1883 11:56:58 8.761948 0.380308 BFGS: 1884 11:56:58 8.721990 0.380256 BFGS: 1885 11:56:58 8.682141 0.380189 BFGS: 1886 11:56:58 8.642401 0.380107 BFGS: 1887 11:56:58 8.602771 0.380009 BFGS: 1888 11:56:58 8.563249 0.379897 BFGS: 1889 11:56:58 8.523836 0.379770 BFGS: 1890 11:56:58 8.484532 0.379630 BFGS: 1891 11:56:59 8.445337 0.379476 BFGS: 1892 11:56:59 8.406251 0.379308 BFGS: 1893 11:56:59 8.367273 0.379127 BFGS: 1894 11:56:59 8.328403 0.378934 BFGS: 1895 11:56:59 8.289642 0.378728 BFGS: 1896 11:56:59 8.250989 0.378509 BFGS: 1897 11:56:59 8.212445 0.378279 BFGS: 1898 11:56:59 8.174008 0.378037 BFGS: 1899 11:57:00 8.135680 0.377784 BFGS: 1900 11:57:00 8.097459 0.377519 BFGS: 1901 11:57:00 8.059346 0.377244 BFGS: 1902 11:57:00 8.021341 0.376957 BFGS: 1903 11:57:00 7.983444 0.376660 BFGS: 1904 11:57:00 7.945654 0.376353 BFGS: 1905 11:57:00 7.907972 0.376035 BFGS: 1906 11:57:00 7.870398 0.375708 BFGS: 1907 11:57:01 7.832930 0.375370 BFGS: 1908 11:57:01 7.795571 0.375023 BFGS: 1909 11:57:01 7.758318 0.374667 BFGS: 1910 11:57:01 7.721173 0.374302 BFGS: 1911 11:57:01 7.684135 0.373927 BFGS: 1912 11:57:01 7.647205 0.373544 BFGS: 1913 11:57:01 7.610381 0.373152 BFGS: 1914 11:57:01 7.573664 0.372751 BFGS: 1915 11:57:02 7.537055 0.372342 BFGS: 1916 11:57:02 7.500552 0.371924 BFGS: 1917 11:57:02 7.464157 0.371499 BFGS: 1918 11:57:02 7.427868 0.371065 BFGS: 1919 11:57:02 7.391686 0.370624 BFGS: 1920 11:57:02 7.355611 0.370174 BFGS: 1921 11:57:02 7.319643 0.369718 BFGS: 1922 11:57:03 7.283782 0.369253 BFGS: 1923 11:57:03 7.248027 0.368782 BFGS: 1924 11:57:03 7.212379 0.368302 BFGS: 1925 11:57:03 7.176838 0.367816 BFGS: 1926 11:57:03 7.141403 0.367323 BFGS: 1927 11:57:03 7.106075 0.366823 BFGS: 1928 11:57:03 7.070854 0.366316 BFGS: 1929 11:57:03 7.035740 0.365802 BFGS: 1930 11:57:04 7.000732 0.365282 BFGS: 1931 11:57:04 6.965830 0.364755 BFGS: 1932 11:57:04 6.931035 0.364221 BFGS: 1933 11:57:04 6.896347 0.363681 BFGS: 1934 11:57:04 6.861766 0.363135 BFGS: 1935 11:57:04 6.827290 0.362583 BFGS: 1936 11:57:04 6.792922 0.362024 BFGS: 1937 11:57:05 6.758660 0.361460 BFGS: 1938 11:57:05 6.724505 0.360889 BFGS: 1939 11:57:05 6.690456 0.360313 BFGS: 1940 11:57:05 6.656514 0.359731 BFGS: 1941 11:57:05 6.622678 0.359143 BFGS: 1942 11:57:05 6.588949 0.358549 BFGS: 1943 11:57:05 6.555327 0.357949 BFGS: 1944 11:57:06 6.521811 0.357344 BFGS: 1945 11:57:06 6.488402 0.356734 BFGS: 1946 11:57:06 6.455099 0.356118 BFGS: 1947 11:57:06 6.421903 0.355497 BFGS: 1948 11:57:06 6.388814 0.354870 BFGS: 1949 11:57:06 6.355831 0.354239 BFGS: 1950 11:57:06 6.322955 0.353602 BFGS: 1951 11:57:07 6.290186 0.352959 BFGS: 1952 11:57:07 6.257523 0.352312 BFGS: 1953 11:57:07 6.224967 0.351660 BFGS: 1954 11:57:07 6.192518 0.351003 BFGS: 1955 11:57:07 6.160176 0.350340 BFGS: 1956 11:57:07 6.127940 0.349673 BFGS: 1957 11:57:08 6.095811 0.349001 BFGS: 1958 11:57:08 6.063789 0.348325 BFGS: 1959 11:57:08 6.031874 0.347643 BFGS: 1960 11:57:08 6.000066 0.346957 BFGS: 1961 11:57:08 5.968364 0.346266 BFGS: 1962 11:57:08 5.936770 0.345571 BFGS: 1963 11:57:09 5.905282 0.344871 BFGS: 1964 11:57:09 5.873902 0.344166 BFGS: 1965 11:57:09 5.842628 0.343457 BFGS: 1966 11:57:09 5.811461 0.342744 BFGS: 1967 11:57:09 5.780402 0.342026 BFGS: 1968 11:57:09 5.749449 0.341304 BFGS: 1969 11:57:09 5.718604 0.340577 BFGS: 1970 11:57:10 5.687865 0.339846 BFGS: 1971 11:57:10 5.657234 0.339111 BFGS: 1972 11:57:10 5.626710 0.338372 BFGS: 1973 11:57:10 5.596293 0.337629 BFGS: 1974 11:57:10 5.565983 0.336881 BFGS: 1975 11:57:10 5.535780 0.336129 BFGS: 1976 11:57:10 5.505685 0.335374 BFGS: 1977 11:57:11 5.475697 0.334614 BFGS: 1978 11:57:11 5.445816 0.333850 BFGS: 1979 11:57:11 5.416042 0.333082 BFGS: 1980 11:57:11 5.386376 0.332311 BFGS: 1981 11:57:11 5.356817 0.331535 BFGS: 1982 11:57:12 5.327365 0.330756 BFGS: 1983 11:57:12 5.298021 0.329972 BFGS: 1984 11:57:12 5.268784 0.329185 BFGS: 1985 11:57:12 5.239655 0.328394 BFGS: 1986 11:57:12 5.210633 0.327600 BFGS: 1987 11:57:13 5.181718 0.326801 BFGS: 1988 11:57:13 5.152911 0.325999 BFGS: 1989 11:57:13 5.124211 0.325194 BFGS: 1990 11:57:13 5.095619 0.324384 BFGS: 1991 11:57:13 5.067134 0.323572 BFGS: 1992 11:57:14 5.038757 0.322755 BFGS: 1993 11:57:14 5.010487 0.321935 BFGS: 1994 11:57:14 4.982325 0.321112 BFGS: 1995 11:57:14 4.954270 0.320285 BFGS: 1996 11:57:14 4.926323 0.319454 BFGS: 1997 11:57:15 4.898483 0.318621 BFGS: 1998 11:57:15 4.870751 0.317783 BFGS: 1999 11:57:15 4.843127 0.316943 BFGS: 2000 11:57:15 4.815610 0.316099 BFGS: 2001 11:57:15 4.788200 0.315252 BFGS: 2002 11:57:15 4.760899 0.314401 BFGS: 2003 11:57:16 4.733704 0.313548 BFGS: 2004 11:57:16 4.706617 0.312691 BFGS: 2005 11:57:16 4.679638 0.311831 BFGS: 2006 11:57:16 4.652766 0.310967 BFGS: 2007 11:57:16 4.626002 0.310101 BFGS: 2008 11:57:17 4.599345 0.309231 BFGS: 2009 11:57:17 4.572796 0.308359 BFGS: 2010 11:57:17 4.546354 0.307483 BFGS: 2011 11:57:17 4.520020 0.306604 BFGS: 2012 11:57:17 4.493793 0.305722 BFGS: 2013 11:57:17 4.467674 0.304838 BFGS: 2014 11:57:18 4.441662 0.303950 BFGS: 2015 11:57:18 4.415758 0.303059 BFGS: 2016 11:57:18 4.389960 0.302166 BFGS: 2017 11:57:18 4.364271 0.301269 BFGS: 2018 11:57:18 4.338688 0.300370 BFGS: 2019 11:57:18 4.313213 0.299468 BFGS: 2020 11:57:19 4.287845 0.298563 BFGS: 2021 11:57:19 4.262584 0.297655 BFGS: 2022 11:57:19 4.237431 0.296744 BFGS: 2023 11:57:19 4.212384 0.295831 BFGS: 2024 11:57:19 4.187445 0.294915 BFGS: 2025 11:57:19 4.162613 0.293997 BFGS: 2026 11:57:20 4.137888 0.293075 BFGS: 2027 11:57:20 4.113270 0.292151 BFGS: 2028 11:57:20 4.088759 0.291225 BFGS: 2029 11:57:20 4.064355 0.290296 BFGS: 2030 11:57:20 4.040057 0.289364 BFGS: 2031 11:57:20 4.015867 0.288430 BFGS: 2032 11:57:21 3.991783 0.287493 BFGS: 2033 11:57:21 3.967806 0.286554 BFGS: 2034 11:57:21 3.943936 0.285612 BFGS: 2035 11:57:21 3.920172 0.284668 BFGS: 2036 11:57:21 3.896514 0.283722 BFGS: 2037 11:57:21 3.872963 0.282773 BFGS: 2038 11:57:21 3.849541 0.281822 BFGS: 2039 11:57:22 3.826260 0.280891 BFGS: 2040 11:57:22 3.803119 0.279978 BFGS: 2041 11:57:22 3.780113 0.279080 BFGS: 2042 11:57:22 3.757241 0.278198 BFGS: 2043 11:57:22 3.734501 0.277328 BFGS: 2044 11:57:22 3.711890 0.276470 BFGS: 2045 11:57:22 3.689407 0.275622 BFGS: 2046 11:57:23 3.667125 0.274788 BFGS: 2047 11:57:23 3.645093 0.273993 BFGS: 2048 11:57:23 3.623302 0.273235 BFGS: 2049 11:57:23 3.601746 0.272512 BFGS: 2050 11:57:23 3.580416 0.271820 BFGS: 2051 11:57:23 3.559307 0.271157 BFGS: 2052 11:57:24 3.538411 0.270521 BFGS: 2053 11:57:24 3.517723 0.269910 BFGS: 2054 11:57:24 3.497235 0.269322 BFGS: 2055 11:57:24 3.476943 0.268755 BFGS: 2056 11:57:24 3.456840 0.268207 BFGS: 2057 11:57:24 3.436920 0.267677 BFGS: 2058 11:57:25 3.417177 0.267162 BFGS: 2059 11:57:25 3.397607 0.266661 BFGS: 2060 11:57:25 3.378205 0.266173 BFGS: 2061 11:57:25 3.358964 0.265697 BFGS: 2062 11:57:25 3.339880 0.265231 BFGS: 2063 11:57:25 3.320949 0.264774 BFGS: 2064 11:57:26 3.302165 0.264324 BFGS: 2065 11:57:26 3.283525 0.263882 BFGS: 2066 11:57:26 3.265024 0.263445 BFGS: 2067 11:57:26 3.246657 0.263013 BFGS: 2068 11:57:26 3.228421 0.262585 BFGS: 2069 11:57:26 3.210312 0.262159 BFGS: 2070 11:57:26 3.192325 0.261737 BFGS: 2071 11:57:27 3.174458 0.261315 BFGS: 2072 11:57:27 3.156706 0.260895 BFGS: 2073 11:57:27 3.139066 0.260474 BFGS: 2074 11:57:27 3.121536 0.260053 BFGS: 2075 11:57:27 3.104111 0.259631 BFGS: 2076 11:57:28 3.086788 0.259208 BFGS: 2077 11:57:28 3.069565 0.258782 BFGS: 2078 11:57:28 3.052439 0.258354 BFGS: 2079 11:57:28 3.035407 0.257922 BFGS: 2080 11:57:28 3.018466 0.257487 BFGS: 2081 11:57:28 3.001614 0.257048 BFGS: 2082 11:57:28 2.984849 0.256605 BFGS: 2083 11:57:29 2.968167 0.256158 BFGS: 2084 11:57:29 2.951567 0.255705 BFGS: 2085 11:57:29 2.935046 0.255247 BFGS: 2086 11:57:29 2.918603 0.254784 BFGS: 2087 11:57:29 2.902236 0.254315 BFGS: 2088 11:57:29 2.885942 0.254232 BFGS: 2089 11:57:29 2.869719 0.258280 BFGS: 2090 11:57:30 2.853567 0.262245 BFGS: 2091 11:57:30 2.837483 0.266126 BFGS: 2092 11:57:30 2.821465 0.269923 BFGS: 2093 11:57:30 2.805513 0.273638 BFGS: 2094 11:57:30 2.789624 0.277271 BFGS: 2095 11:57:30 2.773797 0.280822 BFGS: 2096 11:57:31 2.758032 0.284292 BFGS: 2097 11:57:31 2.742326 0.287681 BFGS: 2098 11:57:31 2.726678 0.290990 BFGS: 2099 11:57:31 2.711088 0.294219 BFGS: 2100 11:57:31 2.695554 0.297370 BFGS: 2101 11:57:31 2.680075 0.300442 BFGS: 2102 11:57:32 2.664650 0.303436 BFGS: 2103 11:57:32 2.649279 0.306352 BFGS: 2104 11:57:32 2.633960 0.309193 BFGS: 2105 11:57:32 2.618692 0.311957 BFGS: 2106 11:57:33 2.603475 0.314646 BFGS: 2107 11:57:33 2.588308 0.317261 BFGS: 2108 11:57:33 2.573190 0.319801 BFGS: 2109 11:57:33 2.558121 0.322269 BFGS: 2110 11:57:33 2.543100 0.324664 BFGS: 2111 11:57:34 2.528127 0.326987 BFGS: 2112 11:57:34 2.513200 0.329239 BFGS: 2113 11:57:34 2.498319 0.331421 BFGS: 2114 11:57:34 2.483484 0.333533 BFGS: 2115 11:57:35 2.468695 0.335576 BFGS: 2116 11:57:35 2.453951 0.337551 BFGS: 2117 11:57:35 2.439251 0.339459 BFGS: 2118 11:57:35 2.424595 0.341300 BFGS: 2119 11:57:35 2.409984 0.343076 BFGS: 2120 11:57:35 2.395415 0.344786 BFGS: 2121 11:57:36 2.380891 0.346431 BFGS: 2122 11:57:36 2.366409 0.348013 BFGS: 2123 11:57:36 2.351970 0.349533 BFGS: 2124 11:57:36 2.337573 0.350990 BFGS: 2125 11:57:36 2.323219 0.352385 BFGS: 2126 11:57:37 2.308907 0.353720 BFGS: 2127 11:57:37 2.294638 0.354996 BFGS: 2128 11:57:37 2.280410 0.356212 BFGS: 2129 11:57:37 2.266224 0.357369 BFGS: 2130 11:57:37 2.252079 0.358470 BFGS: 2131 11:57:37 2.237977 0.359513 BFGS: 2132 11:57:38 2.223916 0.360500 BFGS: 2133 11:57:38 2.209896 0.361432 BFGS: 2134 11:57:38 2.195918 0.362310 BFGS: 2135 11:57:38 2.181981 0.363133 BFGS: 2136 11:57:38 2.168086 0.363904 BFGS: 2137 11:57:38 2.154232 0.364622 BFGS: 2138 11:57:39 2.140419 0.365289 BFGS: 2139 11:57:39 2.126648 0.365904 BFGS: 2140 11:57:39 2.112919 0.366470 BFGS: 2141 11:57:39 2.099231 0.366986 BFGS: 2142 11:57:39 2.085584 0.367453 BFGS: 2143 11:57:40 2.071980 0.367872 BFGS: 2144 11:57:40 2.058416 0.368244 BFGS: 2145 11:57:40 2.044895 0.368570 BFGS: 2146 11:57:40 2.031415 0.368849 BFGS: 2147 11:57:40 2.017978 0.369083 BFGS: 2148 11:57:41 2.004582 0.369273 BFGS: 2149 11:57:41 1.991229 0.369419 BFGS: 2150 11:57:41 1.977917 0.369521 BFGS: 2151 11:57:41 1.964648 0.369581 BFGS: 2152 11:57:41 1.951422 0.369599 BFGS: 2153 11:57:41 1.938238 0.369576 BFGS: 2154 11:57:42 1.925096 0.369513 BFGS: 2155 11:57:42 1.911998 0.369409 BFGS: 2156 11:57:42 1.898942 0.369266 BFGS: 2157 11:57:42 1.885930 0.369085 BFGS: 2158 11:57:42 1.872961 0.368866 BFGS: 2159 11:57:43 1.860035 0.368609 BFGS: 2160 11:57:43 1.847152 0.368315 BFGS: 2161 11:57:43 1.834313 0.367985 BFGS: 2162 11:57:43 1.821518 0.367620 BFGS: 2163 11:57:44 1.808767 0.367219 BFGS: 2164 11:57:44 1.796060 0.366784 BFGS: 2165 11:57:44 1.783397 0.366316 BFGS: 2166 11:57:44 1.770779 0.365814 BFGS: 2167 11:57:44 1.758205 0.365279 BFGS: 2168 11:57:44 1.745675 0.364712 BFGS: 2169 11:57:45 1.733191 0.364113 BFGS: 2170 11:57:45 1.720751 0.363484 BFGS: 2171 11:57:45 1.708357 0.362824 BFGS: 2172 11:57:45 1.696008 0.362134 BFGS: 2173 11:57:45 1.683704 0.361414 BFGS: 2174 11:57:45 1.671446 0.360665 BFGS: 2175 11:57:46 1.659234 0.359888 BFGS: 2176 11:57:46 1.647068 0.359083 BFGS: 2177 11:57:46 1.634947 0.358251 BFGS: 2178 11:57:46 1.622873 0.357391 BFGS: 2179 11:57:46 1.610846 0.356505 BFGS: 2180 11:57:47 1.598865 0.355593 BFGS: 2181 11:57:47 1.586930 0.354656 BFGS: 2182 11:57:47 1.575042 0.353693 BFGS: 2183 11:57:47 1.563202 0.352706 BFGS: 2184 11:57:47 1.551408 0.351694 BFGS: 2185 11:57:47 1.539662 0.350659 BFGS: 2186 11:57:47 1.527963 0.349600 BFGS: 2187 11:57:48 1.516312 0.348518 BFGS: 2188 11:57:48 1.504709 0.347414 BFGS: 2189 11:57:48 1.493153 0.346288 BFGS: 2190 11:57:48 1.481645 0.345140 BFGS: 2191 11:57:48 1.470186 0.343971 BFGS: 2192 11:57:48 1.458775 0.342781 BFGS: 2193 11:57:49 1.447412 0.341571 BFGS: 2194 11:57:49 1.436098 0.340340 BFGS: 2195 11:57:49 1.424833 0.339090 BFGS: 2196 11:57:49 1.413616 0.337821 BFGS: 2197 11:57:49 1.402448 0.336532 BFGS: 2198 11:57:49 1.391330 0.335225 BFGS: 2199 11:57:49 1.380261 0.333900 BFGS: 2200 11:57:50 1.369241 0.332556 BFGS: 2201 11:57:50 1.358270 0.331195 BFGS: 2202 11:57:50 1.347350 0.329817 BFGS: 2203 11:57:50 1.336479 0.328422 BFGS: 2204 11:57:50 1.325657 0.327010 BFGS: 2205 11:57:50 1.314886 0.325582 BFGS: 2206 11:57:50 1.304165 0.324139 BFGS: 2207 11:57:51 1.293488 0.322679 BFGS: 2208 11:57:51 1.282859 0.321211 BFGS: 2209 11:57:51 1.272280 0.319735 BFGS: 2210 11:57:51 1.261749 0.318250 BFGS: 2211 11:57:51 1.251266 0.316758 BFGS: 2212 11:57:52 1.240832 0.315259 BFGS: 2213 11:57:52 1.230447 0.313752 BFGS: 2214 11:57:52 1.220110 0.312239 BFGS: 2215 11:57:52 1.209822 0.310718 BFGS: 2216 11:57:52 1.199582 0.309191 BFGS: 2217 11:57:52 1.189390 0.307658 BFGS: 2218 11:57:53 1.179246 0.306119 BFGS: 2219 11:57:53 1.169151 0.304573 BFGS: 2220 11:57:53 1.159104 0.303022 BFGS: 2221 11:57:53 1.149106 0.301466 BFGS: 2222 11:57:53 1.139156 0.299904 BFGS: 2223 11:57:53 1.129254 0.298337 BFGS: 2224 11:57:54 1.119400 0.296765 BFGS: 2225 11:57:54 1.109595 0.295188 BFGS: 2226 11:57:54 1.099838 0.293606 BFGS: 2227 11:57:54 1.090129 0.292020 BFGS: 2228 11:57:54 1.080469 0.290430 BFGS: 2229 11:57:54 1.070857 0.288835 BFGS: 2230 11:57:55 1.061293 0.287237 BFGS: 2231 11:57:55 1.051778 0.285634 BFGS: 2232 11:57:55 1.042311 0.284028 BFGS: 2233 11:57:55 1.032893 0.282418 BFGS: 2234 11:57:55 1.023524 0.280805 BFGS: 2235 11:57:55 1.014203 0.279189 BFGS: 2236 11:57:56 1.004931 0.277569 BFGS: 2237 11:57:56 0.995707 0.275946 BFGS: 2238 11:57:56 0.986532 0.274321 BFGS: 2239 11:57:56 0.977406 0.272692 BFGS: 2240 11:57:56 0.968328 0.271061 BFGS: 2241 11:57:57 0.959300 0.269427 BFGS: 2242 11:57:57 0.950320 0.267791 BFGS: 2243 11:57:57 0.941390 0.266152 BFGS: 2244 11:57:57 0.932508 0.264511 BFGS: 2245 11:57:57 0.923675 0.262868 BFGS: 2246 11:57:58 0.914892 0.261223 BFGS: 2247 11:57:58 0.906157 0.259576 BFGS: 2248 11:57:58 0.897472 0.257927 BFGS: 2249 11:57:58 0.888836 0.256276 BFGS: 2250 11:57:58 0.880250 0.254624 BFGS: 2251 11:57:58 0.871713 0.252970 BFGS: 2252 11:57:59 0.863225 0.251314 BFGS: 2253 11:57:59 0.854787 0.249657 BFGS: 2254 11:57:59 0.846398 0.247999 BFGS: 2255 11:57:59 0.838059 0.246339 BFGS: 2256 11:58:00 0.829769 0.244679 BFGS: 2257 11:58:00 0.821529 0.243017 BFGS: 2258 11:58:00 0.813339 0.241354 BFGS: 2259 11:58:00 0.805199 0.239691 BFGS: 2260 11:58:00 0.797108 0.238026 BFGS: 2261 11:58:01 0.789067 0.236361 BFGS: 2262 11:58:01 0.781076 0.234696 BFGS: 2263 11:58:01 0.773141 0.233036 BFGS: 2264 11:58:01 0.765260 0.231380 BFGS: 2265 11:58:01 0.757434 0.229728 BFGS: 2266 11:58:02 0.749663 0.228080 BFGS: 2267 11:58:02 0.741946 0.226436 BFGS: 2268 11:58:02 0.734283 0.224796 BFGS: 2269 11:58:02 0.726675 0.223160 BFGS: 2270 11:58:02 0.719120 0.221529 BFGS: 2271 11:58:03 0.711620 0.219901 BFGS: 2272 11:58:03 0.704173 0.218277 BFGS: 2273 11:58:03 0.696779 0.216658 BFGS: 2274 11:58:03 0.689439 0.215042 BFGS: 2275 11:58:03 0.682152 0.213431 BFGS: 2276 11:58:04 0.674919 0.211824 BFGS: 2277 11:58:04 0.667738 0.210220 BFGS: 2278 11:58:04 0.660609 0.208621 BFGS: 2279 11:58:04 0.653534 0.207025 BFGS: 2280 11:58:04 0.646511 0.205434 BFGS: 2281 11:58:05 0.639540 0.203847 BFGS: 2282 11:58:05 0.632621 0.202263 BFGS: 2283 11:58:05 0.625755 0.200684 BFGS: 2284 11:58:05 0.618940 0.199108 BFGS: 2285 11:58:05 0.612177 0.197537 BFGS: 2286 11:58:05 0.605465 0.195970 BFGS: 2287 11:58:06 0.598805 0.194406 BFGS: 2288 11:58:06 0.592197 0.192847 BFGS: 2289 11:58:06 0.585639 0.191291 BFGS: 2290 11:58:06 0.579133 0.189739 BFGS: 2291 11:58:06 0.572677 0.188192 BFGS: 2292 11:58:06 0.566272 0.186648 BFGS: 2293 11:58:07 0.559917 0.185108 BFGS: 2294 11:58:07 0.553613 0.183572 BFGS: 2295 11:58:07 0.547359 0.182040 BFGS: 2296 11:58:07 0.541156 0.180512 BFGS: 2297 11:58:07 0.535002 0.178988 BFGS: 2298 11:58:08 0.528898 0.177467 BFGS: 2299 11:58:08 0.522844 0.175951 BFGS: 2300 11:58:08 0.516839 0.174438 BFGS: 2301 11:58:08 0.510884 0.172929 BFGS: 2302 11:58:08 0.504977 0.171424 BFGS: 2303 11:58:08 0.499120 0.169923 BFGS: 2304 11:58:09 0.493312 0.168426 BFGS: 2305 11:58:09 0.487553 0.166933 BFGS: 2306 11:58:09 0.481842 0.165444 BFGS: 2307 11:58:09 0.476179 0.163958 BFGS: 2308 11:58:09 0.470565 0.162476 BFGS: 2309 11:58:10 0.465000 0.160998 BFGS: 2310 11:58:10 0.459482 0.159524 BFGS: 2311 11:58:10 0.454012 0.158054 BFGS: 2312 11:58:10 0.448589 0.156587 BFGS: 2313 11:58:10 0.443214 0.155125 BFGS: 2314 11:58:10 0.437887 0.153666 BFGS: 2315 11:58:11 0.432607 0.152211 BFGS: 2316 11:58:11 0.427374 0.150759 BFGS: 2317 11:58:11 0.422187 0.149312 BFGS: 2318 11:58:11 0.417048 0.147868 BFGS: 2319 11:58:11 0.411955 0.146428 BFGS: 2320 11:58:11 0.406909 0.144992 BFGS: 2321 11:58:12 0.401908 0.143560 BFGS: 2322 11:58:12 0.396954 0.142131 BFGS: 2323 11:58:12 0.392046 0.140706 BFGS: 2324 11:58:12 0.387184 0.139285 BFGS: 2325 11:58:12 0.382367 0.137868 BFGS: 2326 11:58:12 0.377596 0.136455 BFGS: 2327 11:58:13 0.372869 0.135045 BFGS: 2328 11:58:13 0.368180 0.133641 BFGS: 2329 11:58:13 0.363526 0.132243 BFGS: 2330 11:58:13 0.358908 0.130852 BFGS: 2331 11:58:13 0.354325 0.129468 BFGS: 2332 11:58:13 0.349776 0.128090 BFGS: 2333 11:58:14 0.345262 0.126719 BFGS: 2334 11:58:14 0.340782 0.125354 BFGS: 2335 11:58:14 0.336336 0.123996 BFGS: 2336 11:58:14 0.331924 0.122645 BFGS: 2337 11:58:14 0.327545 0.121300 BFGS: 2338 11:58:14 0.323200 0.119961 BFGS: 2339 11:58:15 0.318888 0.118629 BFGS: 2340 11:58:15 0.314609 0.117304 BFGS: 2341 11:58:15 0.310363 0.115985 BFGS: 2342 11:58:15 0.306150 0.114672 BFGS: 2343 11:58:15 0.301969 0.113366 BFGS: 2344 11:58:16 0.297820 0.112067 BFGS: 2345 11:58:16 0.293704 0.110774 BFGS: 2346 11:58:16 0.289619 0.109487 BFGS: 2347 11:58:16 0.285567 0.108207 BFGS: 2348 11:58:16 0.281546 0.106932 BFGS: 2349 11:58:16 0.277556 0.105665 BFGS: 2350 11:58:17 0.273597 0.104404 BFGS: 2351 11:58:17 0.269671 0.103151 BFGS: 2352 11:58:17 0.265775 0.101905 BFGS: 2353 11:58:17 0.261911 0.100667 BFGS: 2354 11:58:17 0.258078 0.099436 BFGS: 2355 11:58:18 0.254276 0.098213 BFGS: 2356 11:58:18 0.250505 0.096997 BFGS: 2357 11:58:18 0.246765 0.095789 BFGS: 2358 11:58:18 0.243055 0.094588 BFGS: 2359 11:58:18 0.239375 0.093395 BFGS: 2360 11:58:19 0.235725 0.092209 BFGS: 2361 11:58:19 0.232106 0.091030 BFGS: 2362 11:58:19 0.228516 0.089859 BFGS: 2363 11:58:19 0.224956 0.088696 BFGS: 2364 11:58:19 0.221426 0.087539 BFGS: 2365 11:58:20 0.217926 0.086391 BFGS: 2366 11:58:20 0.214455 0.085249 BFGS: 2367 11:58:20 0.211013 0.084115 BFGS: 2368 11:58:20 0.207601 0.082989 BFGS: 2369 11:58:20 0.204219 0.081869 BFGS: 2370 11:58:21 0.200865 0.080757 BFGS: 2371 11:58:21 0.197541 0.079653 BFGS: 2372 11:58:21 0.194246 0.078555 BFGS: 2373 11:58:21 0.190979 0.077465 BFGS: 2374 11:58:21 0.187742 0.076382 BFGS: 2375 11:58:22 0.184534 0.075306 BFGS: 2376 11:58:22 0.181354 0.074237 BFGS: 2377 11:58:22 0.178203 0.073176 BFGS: 2378 11:58:22 0.175081 0.072121 BFGS: 2379 11:58:22 0.171988 0.071074 BFGS: 2380 11:58:23 0.168924 0.070034 BFGS: 2381 11:58:23 0.165887 0.069000 BFGS: 2382 11:58:23 0.162880 0.067974 BFGS: 2383 11:58:23 0.159901 0.066954 BFGS: 2384 11:58:23 0.156951 0.065942 BFGS: 2385 11:58:23 0.154028 0.064936 BFGS: 2386 11:58:24 0.151135 0.063938 BFGS: 2387 11:58:24 0.148269 0.062946 BFGS: 2388 11:58:24 0.145432 0.061961 BFGS: 2389 11:58:24 0.142624 0.060982 BFGS: 2390 11:58:24 0.139843 0.060011 BFGS: 2391 11:58:25 0.137091 0.059046 BFGS: 2392 11:58:25 0.134367 0.058088 BFGS: 2393 11:58:25 0.131671 0.057136 BFGS: 2394 11:58:25 0.129003 0.056191 BFGS: 2395 11:58:25 0.126364 0.055253 BFGS: 2396 11:58:26 0.123752 0.054321 BFGS: 2397 11:58:26 0.121169 0.053396 BFGS: 2398 11:58:26 0.118613 0.052477 BFGS: 2399 11:58:26 0.116085 0.051565 BFGS: 2400 11:58:26 0.113586 0.050916 BFGS: 2401 11:58:26 0.111114 0.050553 BFGS: 2402 11:58:27 0.108670 0.050186 BFGS: 2403 11:58:27 0.106254 0.049815 BFGS: 2404 11:58:27 0.103866 0.049440 BFGS: 2405 11:58:27 0.101506 0.049061 BFGS: 2406 11:58:27 0.099174 0.048679 BFGS: 2407 11:58:28 0.096869 0.048294 BFGS: 2408 11:58:28 0.094592 0.047905 BFGS: 2409 11:58:28 0.092343 0.047512 BFGS: 2410 11:58:28 0.090122 0.047117 BFGS: 2411 11:58:28 0.087928 0.046718 BFGS: 2412 11:58:29 0.085762 0.046315 BFGS: 2413 11:58:29 0.083623 0.045910 BFGS: 2414 11:58:29 0.081512 0.045502 BFGS: 2415 11:58:29 0.079429 0.045090 BFGS: 2416 11:58:29 0.077373 0.044675 BFGS: 2417 11:58:30 0.075345 0.044258 BFGS: 2418 11:58:30 0.073344 0.043837 BFGS: 2419 11:58:30 0.071371 0.043414 BFGS: 2420 11:58:30 0.069425 0.042988 BFGS: 2421 11:58:30 0.067507 0.042559 BFGS: 2422 11:58:31 0.065616 0.042127 BFGS: 2423 11:58:31 0.063753 0.041648 BFGS: 2424 11:58:31 0.061917 0.041146 BFGS: 2425 11:58:31 0.060109 0.040645 BFGS: 2426 11:58:31 0.058329 0.040142 BFGS: 2427 11:58:32 0.056576 0.039640 BFGS: 2428 11:58:32 0.054852 0.039137 BFGS: 2429 11:58:32 0.053154 0.038633 BFGS: 2430 11:58:32 0.051485 0.038130 BFGS: 2431 11:58:32 0.049842 0.037626 BFGS: 2432 11:58:33 0.048228 0.037121 BFGS: 2433 11:58:33 0.046641 0.036616 BFGS: 2434 11:58:33 0.045081 0.036111 BFGS: 2435 11:58:33 0.043548 0.035605 BFGS: 2436 11:58:33 0.042043 0.035099 BFGS: 2437 11:58:34 0.040565 0.034592 BFGS: 2438 11:58:34 0.039114 0.034085 BFGS: 2439 11:58:34 0.037691 0.033577 BFGS: 2440 11:58:34 0.036294 0.033069 BFGS: 2441 11:58:34 0.034925 0.032561 BFGS: 2442 11:58:35 0.033583 0.032052 BFGS: 2443 11:58:35 0.032268 0.031543 BFGS: 2444 11:58:35 0.030980 0.031033 BFGS: 2445 11:58:35 0.029718 0.030523 BFGS: 2446 11:58:35 0.028484 0.030012 BFGS: 2447 11:58:36 0.027277 0.029501 BFGS: 2448 11:58:36 0.026096 0.028990 BFGS: 2449 11:58:36 0.024942 0.028478 BFGS: 2450 11:58:36 0.023815 0.027966 BFGS: 2451 11:58:36 0.022715 0.027453 BFGS: 2452 11:58:37 0.021641 0.026940 BFGS: 2453 11:58:37 0.020595 0.026427 BFGS: 2454 11:58:37 0.019574 0.025913 BFGS: 2455 11:58:37 0.018581 0.025399 BFGS: 2456 11:58:37 0.017613 0.024884 BFGS: 2457 11:58:37 0.016673 0.024369 BFGS: 2458 11:58:38 0.015759 0.023854 BFGS: 2459 11:58:38 0.014871 0.023338 BFGS: 2460 11:58:38 0.014010 0.022822 BFGS: 2461 11:58:38 0.013175 0.022306 BFGS: 2462 11:58:38 0.012366 0.021789 BFGS: 2463 11:58:39 0.011584 0.021273 BFGS: 2464 11:58:39 0.010828 0.020756 BFGS: 2465 11:58:39 0.010099 0.020239 BFGS: 2466 11:58:39 0.009395 0.019722 BFGS: 2467 11:58:39 0.008718 0.019205 BFGS: 2468 11:58:39 0.008067 0.018688 BFGS: 2469 11:58:40 0.007442 0.018170 BFGS: 2470 11:58:40 0.006843 0.017653 BFGS: 2471 11:58:40 0.006270 0.017137 BFGS: 2472 11:58:40 0.005723 0.016620 BFGS: 2473 11:58:40 0.005202 0.016104 BFGS: 2474 11:58:41 0.004707 0.015588 BFGS: 2475 11:58:41 0.004238 0.015073 BFGS: 2476 11:58:41 0.003795 0.014559 BFGS: 2477 11:58:41 0.003377 0.014045 BFGS: 2478 11:58:41 0.002985 0.013533 BFGS: 2479 11:58:42 0.002619 0.013021 BFGS: 2480 11:58:42 0.002278 0.012512 BFGS: 2481 11:58:42 0.001963 0.012003 BFGS: 2482 11:58:42 0.001673 0.011497 BFGS: 2483 11:58:42 0.001408 0.010993 BFGS: 2484 11:58:43 0.001169 0.010492 BFGS: 2485 11:58:43 0.000955 0.009994 BFGS: 2486 11:58:43 0.000767 0.009328 BFGS: 2487 11:58:43 0.000599 0.008196 BFGS: 2488 11:58:43 0.000453 0.007066 BFGS: 2489 11:58:44 0.000327 0.005940 BFGS: 2490 11:58:44 0.000221 0.004817 BFGS: 2491 11:58:44 0.000137 0.003698 BFGS: 2492 11:58:44 0.000072 0.002662 BFGS: 2493 11:58:45 0.000029 0.002228 BFGS: 2494 11:58:45 0.000005 0.001754 BFGS: 2495 11:58:45 0.000001 0.000880 BFGS: 2496 11:58:45 0.000000 0.000346 BFGS: 2497 11:58:45 -0.000000 0.000000 BFGS: 2498 11:58:46 -0.000000 0.000000 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