element(s): ['O', 'Si'] AFLOW prototype label: A2B_mC168_12_e7i10j_7j Parameter names: ['a', 'b/a', 'c/a', 'beta', 'x2', 'z2', 'x3', 'z3', 'x4', 'z4', 'x5', 'z5', 'x6', 'z6', 'x7', 'z7', 'x8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11', 'x12', 'y12', 'z12', 'x13', 'y13', 'z13', 'x14', 'y14', 'z14', 'x15', 'y15', 'z15', 'x16', 'y16', 'z16', 'x17', 'y17', 'z17', 'x18', 'y18', 'z18', 'x19', 'y19', 'z19', 'x20', 'y20', 'z20', 'x21', 'y21', 'z21', 'x22', 'y22', 'z22', 'x23', 'y23', 'z23', 'x24', 'y24', 'z24', 'x25', 'y25', 'z25'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['30.4537', '0.28005464', '0.9721052', '155.8405', '0.90392765', '0.58743917', '0.23009303', '0.36456459', '0.63437564', '0.67866747', '0.20127673', '0.84248647', '0.43691085', '0.71620295', '0.8453212', '0.054967386', '0.90173471', '0.45405463', '0.14255278', '0.2670771', '0.30911771', '0.56461106', '0.7794745', '0.86886302', '0.34898902', '0.20580783', '0.52008445', '0.76102024', '0.21262837', '0.92093148', '0.48411157', '0.2178002', '0.54354028', '0.34155605', '0.2665615', '0.34378651', '0.67614905', '0.26448361', '0.76127535', '0.2796783', '0.2688607', '0.37116713', '0.42728744', '0.28639384', '0.67339271', '0.55440309', '0.27864201', '0.72083346', '0.37631067', '0.31355357', '0.42763671', '0.43416529', '0.31741865', '0.62596501', '0.25100257', '0.18535457', '0.39222124', '0.61284976', '0.1870188', '0.65953486', '0.67238232', '0.31491059', '0.81056319', '0.44654626', '0.81487321', '0.73727014', '0.82234368', '0.18575909', '0.026297793'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0.25 0.25 0. ] [0.90392765 0. 0.58743917] [0.23009303 0. 0.36456459] [0.63437564 0. 0.67866747] [0.20127673 0. 0.84248647] [0.43691085 0. 0.71620295] [0.8453212 0. 0.05496739] [0.90173471 0. 0.45405463] [0.14255278 0.2670771 0.30911771] [0.56461106 0.7794745 0.86886302] [0.34898902 0.20580783 0.52008445] [0.76102024 0.21262837 0.92093148] [0.48411157 0.2178002 0.54354028] [0.34155605 0.2665615 0.34378651] [0.67614905 0.26448361 0.76127535] [0.2796783 0.2688607 0.37116713] [0.42728744 0.28639384 0.67339271] [0.55440309 0.27864201 0.72083346] [0.37631067 0.31355357 0.42763671] [0.43416529 0.31741865 0.62596501] [0.25100257 0.18535457 0.39222124] [0.61284976 0.1870188 0.65953486] [0.67238232 0.31491059 0.81056319] [0.44654626 0.81487321 0.73727014] [0.82234368 0.18575909 0.02629779]] spacegroup = 12 cell = [[30.4537, 0, 0], [0, 8.5287, 0], [-27.011157636087, 0, 12.116353444764]] ========================================= Step Time Energy fmax BFGS: 0 17:45:20 -691.589431 22.097121 BFGS: 1 17:45:22 -761.739644 20.209108 BFGS: 2 17:45:22 -831.452470 17.038520 BFGS: 3 17:45:25 -889.045133 17.777399 BFGS: 4 17:45:26 -937.192048 15.953882 BFGS: 5 17:45:28 -978.360737 13.874059 BFGS: 6 17:45:29 -1015.236763 14.108012 BFGS: 7 17:45:30 -1043.578402 11.700796 BFGS: 8 17:45:31 -1062.349054 8.803314 BFGS: 9 17:45:33 -1080.651239 6.623625 BFGS: 10 17:45:34 -1094.640490 7.126594 BFGS: 11 17:45:36 -1104.222364 4.936871 BFGS: 12 17:45:37 -1110.237035 3.891219 BFGS: 13 17:45:38 -1114.027060 3.195321 BFGS: 14 17:45:41 -1116.432984 3.891007 BFGS: 15 17:45:43 -1118.634146 4.190913 BFGS: 16 17:45:46 -1120.941370 4.460771 BFGS: 17 17:45:48 -1123.423844 4.661276 BFGS: 18 17:45:51 -1126.009848 4.881517 BFGS: 19 17:45:53 -1128.652129 5.126073 BFGS: 20 17:45:57 -1131.315834 5.357671 BFGS: 21 17:45:58 -1133.968161 5.580908 BFGS: 22 17:46:00 -1136.574528 5.786401 BFGS: 23 17:46:01 -1139.109132 5.973707 BFGS: 24 17:46:03 -1141.558450 6.138841 BFGS: 25 17:46:06 -1143.924734 6.281882 BFGS: 26 17:46:09 -1146.210931 6.398793 BFGS: 27 17:46:12 -1148.441855 6.497294 BFGS: 28 17:46:14 -1150.629570 6.701132 BFGS: 29 17:46:16 -1152.810809 6.842984 BFGS: 30 17:46:16 -1154.987779 7.001106 BFGS: 31 17:46:17 -1157.189798 7.121865 BFGS: 32 17:46:18 -1159.410874 7.250465 BFGS: 33 17:46:20 -1161.662378 7.368194 BFGS: 34 17:46:24 -1163.931818 7.488218 BFGS: 35 17:46:27 -1166.215189 7.607311 BFGS: 36 17:46:28 -1168.506094 7.728054 BFGS: 37 17:46:31 -1170.800674 7.850408 BFGS: 38 17:46:35 -1173.093242 7.975520 BFGS: 39 17:46:39 -1175.382434 8.103943 BFGS: 40 17:46:41 -1177.662756 9.201075 BFGS: 41 17:46:42 -1179.930061 10.459751 BFGS: 42 17:46:43 -1182.177877 11.751245 BFGS: 43 17:46:44 -1184.410082 13.120518 BFGS: 44 17:46:45 -1186.615943 14.310165 BFGS: 45 17:46:45 -1188.816024 15.643497 BFGS: 46 17:46:47 -1190.999493 16.379721 BFGS: 47 17:46:49 -1193.211249 17.450638 BFGS: 48 17:46:51 -1195.457985 17.949218 BFGS: 49 17:46:54 -1197.746169 18.659619 BFGS: 50 17:46:56 -1200.090097 18.921690 BFGS: 51 17:46:58 -1202.440313 19.573182 BFGS: 52 17:47:01 -1204.838306 19.862914 BFGS: 53 17:47:04 -1207.258597 20.221493 BFGS: 54 17:47:06 -1209.703300 20.593310 BFGS: 55 17:47:09 -1212.171820 20.807687 BFGS: 56 17:47:12 -1214.650698 21.132678 BFGS: 57 17:47:13 -1217.149379 21.312999 BFGS: 58 17:47:14 -1219.661164 21.547284 BFGS: 59 17:47:15 -1222.190737 21.704219 BFGS: 60 17:47:16 -1224.733833 21.872897 BFGS: 61 17:47:17 -1227.295859 22.005322 BFGS: 62 17:47:17 -1229.875000 22.134147 BFGS: 63 17:47:18 -1232.477700 22.247994 BFGS: 64 17:47:20 -1235.100542 22.352311 BFGS: 65 17:47:20 -1237.749640 22.457813 BFGS: 66 17:47:21 -1240.418677 22.546232 BFGS: 67 17:47:22 -1243.111988 22.643897 BFGS: 68 17:47:24 -1245.822586 22.735065 BFGS: 69 17:47:25 -1248.549885 22.827467 BFGS: 70 17:47:26 -1251.287691 22.928429 BFGS: 71 17:47:26 -1254.035296 23.029815 BFGS: 72 17:47:28 -1256.788116 23.146589 BFGS: 73 17:47:28 -1259.545456 23.270463 BFGS: 74 17:47:29 -1262.303880 23.408964 BFGS: 75 17:47:30 -1265.062196 23.559012 BFGS: 76 17:47:31 -1267.819897 23.727234 BFGS: 77 17:47:31 -1270.579228 23.911293 BFGS: 78 17:47:32 -1273.337741 24.109977 BFGS: 79 17:47:33 -1276.104128 24.337028 BFGS: 80 17:47:36 -1278.868492 24.571006 BFGS: 81 17:47:38 -1281.648469 24.843204 BFGS: 82 17:47:39 -1284.428930 25.123295 BFGS: 83 17:47:41 -1287.227980 25.440087 BFGS: 84 17:47:43 -1290.032644 25.765290 BFGS: 85 17:47:44 -1292.852923 26.145697 BFGS: 86 17:47:45 -1295.686388 26.508529 BFGS: 87 17:47:46 -1298.527667 26.955664 BFGS: 88 17:47:48 -1301.384154 27.369301 BFGS: 89 17:47:50 -1304.243092 27.887260 BFGS: 90 17:47:51 -1307.111938 28.348961 BFGS: 91 17:47:53 -1309.982124 28.965963 BFGS: 92 17:47:54 -1312.859000 29.473551 BFGS: 93 17:47:54 -1315.738763 30.211323 BFGS: 94 17:47:55 -1318.622920 30.745073 BFGS: 95 17:47:57 -1321.510044 31.564977 BFGS: 96 17:47:58 -1324.403251 32.267893 BFGS: 97 17:47:59 -1327.300002 33.063612 BFGS: 98 17:48:00 -1330.200453 33.907643 BFGS: 99 17:48:02 -1333.102795 34.794073 BFGS: 100 17:48:03 -1336.017206 35.710513 BFGS: 101 17:48:04 -1338.916193 36.819958 BFGS: 102 17:48:05 -1341.737304 38.043177 BFGS: 103 17:48:06 -1344.577102 39.219603 BFGS: 104 17:48:07 -1347.432082 40.398409 BFGS: 105 17:48:08 -1350.304552 41.405513 BFGS: 106 17:48:10 -1353.300485 42.393557 BFGS: 107 17:48:12 -1356.469469 43.066457 BFGS: 108 17:48:14 -1359.663884 43.698398 BFGS: 109 17:48:15 -1362.963052 44.491143 BFGS: 110 17:48:17 -1366.327103 44.980128 BFGS: 111 17:48:19 -1369.738737 45.656830 BFGS: 112 17:48:21 -1373.225772 46.151105 BFGS: 113 17:48:22 -1376.794049 46.731301 BFGS: 114 17:48:23 -1380.454711 47.127608 BFGS: 115 17:48:25 -1384.244263 47.695979 BFGS: 116 17:48:26 -1388.086925 47.760523 BFGS: 117 17:48:28 -1392.086745 48.395797 BFGS: 118 17:48:31 -1396.178075 48.365965 BFGS: 119 17:48:33 -1400.463924 48.823613 BFGS: 120 17:48:35 -1404.998213 48.641185 BFGS: 121 17:48:36 -1409.777695 48.862749 BFGS: 122 17:48:37 -1414.646741 48.817117 BFGS: 123 17:48:38 -1419.539771 48.923063 BFGS: 124 17:48:39 -1424.411969 48.888113 BFGS: 125 17:48:40 -1429.208037 49.027795 BFGS: 126 17:48:40 -1433.913403 48.995370 BFGS: 127 17:48:41 -1438.567653 49.176443 BFGS: 128 17:48:41 -1443.203198 49.082035 BFGS: 129 17:48:42 -1447.889912 49.199315 BFGS: 130 17:48:42 -1452.589126 49.107006 BFGS: 131 17:48:43 -1457.358363 49.067711 BFGS: 132 17:48:44 -1462.154729 49.029593 BFGS: 133 17:48:44 -1466.981756 48.954619 BFGS: 134 17:48:45 -1471.830070 48.896359 BFGS: 135 17:48:46 -1476.695686 48.819693 BFGS: 136 17:48:47 -1481.567636 48.747284 BFGS: 137 17:48:48 -1486.302018 48.784580 BFGS: 138 17:48:50 -1490.676846 48.960906 BFGS: 139 17:48:52 -1494.394523 49.605497 BFGS: 140 17:48:54 -1497.913298 50.453031 BFGS: 141 17:48:56 -1503.848490 50.073686 BFGS: 142 17:48:57 -1510.104179 49.070695 BFGS: 143 17:48:58 -1517.191595 48.113382 BFGS: 144 17:49:00 -1524.656483 46.945718 BFGS: 145 17:49:01 -1532.519841 45.619423 BFGS: 146 17:49:02 -1540.528833 45.853792 BFGS: 147 17:49:03 -1548.596427 49.258741 BFGS: 148 17:49:05 -1556.513551 52.774152 BFGS: 149 17:49:07 -1564.493064 55.307553 BFGS: 150 17:49:08 -1572.321735 58.034712 BFGS: 151 17:49:10 -1580.208864 59.832660 BFGS: 152 17:49:11 -1588.044761 61.522394 BFGS: 153 17:49:13 -1595.904135 62.586448 BFGS: 154 17:49:14 -1603.827629 63.237515 BFGS: 155 17:49:16 -1611.762153 63.159206 BFGS: 156 17:49:17 -1619.741253 62.463089 BFGS: 157 17:49:19 -1627.621745 60.916721 BFGS: 158 17:49:20 -1635.535634 58.350391 BFGS: 159 17:49:22 -1643.362349 54.490478 BFGS: 160 17:49:24 -1651.450262 50.544690 BFGS: 161 17:49:25 -1658.689980 47.892776 BFGS: 162 17:49:27 -1666.778857 43.893033 BFGS: 163 17:49:29 -1674.265337 41.605341 BFGS: 164 17:49:30 -1681.887947 38.949867 BFGS: 165 17:49:33 -1689.678728 35.967298 BFGS: 166 17:49:34 -1697.712303 31.933489 BFGS: 167 17:49:36 -1707.071212 26.407814 BFGS: 168 17:49:37 -1715.027516 27.063492 BFGS: 169 17:49:37 -1722.885033 24.628803 BFGS: 170 17:49:40 -1731.046513 22.905325 BFGS: 171 17:49:42 -1739.409940 21.279605 BFGS: 172 17:49:43 -1748.087644 19.737276 BFGS: 173 17:49:43 -1756.977081 18.365081 BFGS: 174 17:49:44 -1766.111134 16.897444 BFGS: 175 17:49:44 -1775.373396 15.603118 BFGS: 176 17:49:45 -1784.733744 15.900898 BFGS: 177 17:49:46 -1793.836304 16.580128 BFGS: 178 17:49:46 -1802.406010 17.102990 BFGS: 179 17:49:47 -1810.574801 17.476740 BFGS: 180 17:49:48 -1818.671382 17.756419 BFGS: 181 17:49:49 -1826.754356 18.123497 BFGS: 182 17:49:52 -1834.904369 18.355957 BFGS: 183 17:49:55 -1843.239165 18.588854 BFGS: 184 17:49:57 -1851.773415 18.690097 BFGS: 185 17:50:00 -1860.619328 18.591957 BFGS: 186 17:50:02 -1869.733289 18.760501 BFGS: 187 17:50:03 -1879.068394 19.637559 BFGS: 188 17:50:05 -1888.680855 20.410565 BFGS: 189 17:50:08 -1898.347261 21.233052 BFGS: 190 17:50:09 -1908.332492 21.852216 BFGS: 191 17:50:10 -1918.365023 22.450292 BFGS: 192 17:50:12 -1928.483975 22.592070 BFGS: 193 17:50:13 -1938.453086 22.522127 BFGS: 194 17:50:14 -1947.763439 21.916291 BFGS: 195 17:50:15 -1956.995468 20.898878 BFGS: 196 17:50:16 -1966.517572 19.619330 BFGS: 197 17:50:17 -1976.208240 19.708688 BFGS: 198 17:50:18 -1986.923450 20.404968 BFGS: 199 17:50:18 -1997.025445 20.150880 BFGS: 200 17:50:19 -2005.863491 20.638838 BFGS: 201 17:50:20 -2014.743097 20.120024 BFGS: 202 17:50:21 -2023.532156 20.071579 BFGS: 203 17:50:22 -2032.564923 20.064710 BFGS: 204 17:50:23 -2041.835875 19.641721 BFGS: 205 17:50:24 -2050.644031 19.710795 BFGS: 206 17:50:24 -2058.322278 19.510251 BFGS: 207 17:50:25 -2065.320644 19.559739 BFGS: 208 17:50:26 -2072.021967 19.470521 BFGS: 209 17:50:27 -2078.926633 19.309596 BFGS: 210 17:50:28 -2086.174925 18.973265 BFGS: 211 17:50:29 -2093.897822 18.312299 BFGS: 212 17:50:30 -2101.226030 17.589638 BFGS: 213 17:50:31 -2108.239511 16.709749 BFGS: 214 17:50:32 -2114.734394 16.194587 BFGS: 215 17:50:34 -2120.867077 15.978397 BFGS: 216 17:50:35 -2126.684524 15.793652 BFGS: 217 17:50:36 -2132.184053 15.543367 BFGS: 218 17:50:38 -2137.080142 15.336748 BFGS: 219 17:50:39 -2144.497896 15.183403 BFGS: 220 17:50:40 -2150.372066 14.897737 BFGS: 221 17:50:41 -2156.207208 14.617113 BFGS: 222 17:50:42 -2162.050324 14.336420 BFGS: 223 17:50:43 -2167.894838 14.284273 BFGS: 224 17:50:44 -2173.735283 15.178655 BFGS: 225 17:50:45 -2179.554159 17.379570 BFGS: 226 17:50:46 -2185.344779 19.615391 BFGS: 227 17:50:46 -2191.079881 22.201006 BFGS: 228 17:50:47 -2196.788937 24.494771 BFGS: 229 17:50:48 -2202.396055 27.712209 BFGS: 230 17:50:49 -2208.044191 29.565308 BFGS: 231 17:50:50 -2213.549042 33.786923 BFGS: 232 17:50:51 -2219.155659 35.846161 BFGS: 233 17:50:52 -2224.680051 39.783499 BFGS: 234 17:50:53 -2230.280479 42.308741 BFGS: 235 17:50:54 -2235.780288 45.667951 BFGS: 236 17:50:55 -2241.318369 47.469267 BFGS: 237 17:50:57 -2246.688933 49.843946 BFGS: 238 17:50:59 -2252.106531 51.007834 BFGS: 239 17:50:59 -2257.536549 51.991519 BFGS: 240 17:51:00 -2262.861045 52.959438 BFGS: 241 17:51:01 -2268.417208 53.188007 BFGS: 242 17:51:04 -2273.632392 53.994644 BFGS: 243 17:51:05 -2279.210744 53.706065 BFGS: 244 17:51:06 -2284.478821 54.043760 BFGS: 245 17:51:07 -2289.841753 53.485413 BFGS: 246 17:51:08 -2295.260840 53.449129 BFGS: 247 17:51:09 -2300.525269 52.511466 BFGS: 248 17:51:11 -2305.998283 51.863147 BFGS: 249 17:51:13 -2311.385674 50.737320 BFGS: 250 17:51:16 -2316.853194 49.540279 BFGS: 251 17:51:18 -2322.310268 48.033030 BFGS: 252 17:51:21 -2327.738298 46.503849 BFGS: 253 17:51:24 -2333.201310 44.571527 BFGS: 254 17:51:26 -2338.437094 43.754779 BFGS: 255 17:51:29 -2343.636976 43.157600 BFGS: 256 17:51:31 -2348.452292 42.816140 BFGS: 257 17:51:33 -2353.097324 42.256018 BFGS: 258 17:51:34 -2357.483402 42.011361 BFGS: 259 17:51:35 -2361.658345 41.489697 BFGS: 260 17:51:36 -2365.760660 41.258802 BFGS: 261 17:51:37 -2369.692311 40.869587 BFGS: 262 17:51:38 -2373.538093 40.674505 BFGS: 263 17:51:39 -2377.354631 40.519701 BFGS: 264 17:51:41 -2381.055085 40.558016 BFGS: 265 17:51:41 -2384.752805 40.209905 BFGS: 266 17:51:42 -2388.403585 40.269015 BFGS: 267 17:51:45 -2392.000756 39.950044 BFGS: 268 17:51:46 -2395.624730 39.790909 BFGS: 269 17:51:48 -2399.190141 39.626650 BFGS: 270 17:51:49 -2402.767528 39.292657 BFGS: 271 17:51:50 -2406.340372 39.159443 BFGS: 272 17:51:51 -2409.900192 38.771235 BFGS: 273 17:51:52 -2413.486705 38.575667 BFGS: 274 17:51:55 -2417.054805 38.193511 BFGS: 275 17:51:57 -2420.627876 37.916947 BFGS: 276 17:51:59 -2424.173205 37.546642 BFGS: 277 17:52:00 -2427.707406 37.216341 BFGS: 278 17:52:03 -2431.232843 36.841059 BFGS: 279 17:52:05 -2434.730958 36.481319 BFGS: 280 17:52:08 -2438.233749 36.087070 BFGS: 281 17:52:10 -2441.694438 35.708639 BFGS: 282 17:52:13 -2445.180773 35.290572 BFGS: 283 17:52:15 -2448.596679 34.895805 BFGS: 284 17:52:18 -2452.063408 34.453566 BFGS: 285 17:52:20 -2455.440112 34.040995 BFGS: 286 17:52:22 -2458.879560 33.582299 BFGS: 287 17:52:24 -2462.227502 33.200633 BFGS: 288 17:52:26 -2465.621431 32.864174 BFGS: 289 17:52:28 -2468.961576 32.596605 BFGS: 290 17:52:30 -2472.304374 32.262100 BFGS: 291 17:52:31 -2475.637144 31.944605 BFGS: 292 17:52:32 -2478.941790 31.618276 BFGS: 293 17:52:34 -2482.265076 31.260829 BFGS: 294 17:52:36 -2485.550096 30.930472 BFGS: 295 17:52:37 -2488.859134 30.555694 BFGS: 296 17:52:39 -2492.140025 30.207353 BFGS: 297 17:52:40 -2495.435098 29.829317 BFGS: 298 17:52:42 -2498.716267 29.462458 BFGS: 299 17:52:42 -2501.999654 29.086605 BFGS: 300 17:52:44 -2505.275765 28.709132 BFGS: 301 17:52:45 -2508.547874 28.336332 BFGS: 302 17:52:47 -2511.815903 27.948131 BFGS: 303 17:52:49 -2515.077172 27.569785 BFGS: 304 17:52:50 -2518.330951 27.177622 BFGS: 305 17:52:51 -2521.574331 26.802255 BFGS: 306 17:52:52 -2524.812995 26.403629 BFGS: 307 17:52:53 -2528.035910 26.028447 BFGS: 308 17:52:54 -2531.259498 25.632170 BFGS: 309 17:52:54 -2534.462274 25.255921 BFGS: 310 17:52:55 -2537.665754 24.868948 BFGS: 311 17:52:56 -2540.847047 24.497060 BFGS: 312 17:52:56 -2544.027627 24.171979 BFGS: 313 17:52:58 -2547.192264 24.065340 BFGS: 314 17:53:01 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18:11:56 -3519.701248 15.949692 BFGS: 1027 18:11:57 -3520.373228 15.929375 BFGS: 1028 18:12:00 -3521.052831 15.906684 BFGS: 1029 18:12:01 -3521.741521 15.886730 BFGS: 1030 18:12:03 -3522.438116 15.863033 BFGS: 1031 18:12:06 -3523.143459 15.841813 BFGS: 1032 18:12:07 -3523.857287 15.818071 BFGS: 1033 18:12:10 -3524.580075 15.796202 BFGS: 1034 18:12:11 -3525.310831 15.770240 BFGS: 1035 18:12:12 -3526.051453 15.748970 BFGS: 1036 18:12:13 -3526.800714 15.722344 BFGS: 1037 18:12:15 -3527.559612 15.699577 BFGS: 1038 18:12:17 -3528.328381 15.673658 BFGS: 1039 18:12:18 -3529.107355 15.649156 BFGS: 1040 18:12:19 -3529.895541 15.621064 BFGS: 1041 18:12:20 -3530.693902 15.596434 BFGS: 1042 18:12:21 -3531.501737 15.568133 BFGS: 1043 18:12:22 -3532.319993 15.542506 BFGS: 1044 18:12:23 -3533.148450 15.513785 BFGS: 1045 18:12:24 -3533.988127 15.486824 BFGS: 1046 18:12:24 -3534.837716 15.457095 BFGS: 1047 18:12:25 -3535.698833 15.429804 BFGS: 1048 18:12:25 -3536.570612 15.398893 BFGS: 1049 18:12:25 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-4101.630451 13.526842 BFGS: 1949 18:29:25 -4102.049600 13.569871 BFGS: 1950 18:29:26 -4102.469250 13.611560 BFGS: 1951 18:29:27 -4102.889100 13.653594 BFGS: 1952 18:29:27 -4103.309210 13.694593 BFGS: 1953 18:29:28 -4103.730925 13.734970 BFGS: 1954 18:29:30 -4104.154136 13.773780 BFGS: 1955 18:29:31 -4104.578487 13.811510 BFGS: 1956 18:29:31 -4105.004245 13.847622 BFGS: 1957 18:29:32 -4105.431855 13.882516 BFGS: 1958 18:29:33 -4105.860756 13.915770 BFGS: 1959 18:29:34 -4106.291086 13.947591 BFGS: 1960 18:29:34 -4106.722849 13.979397 BFGS: 1961 18:29:35 -4107.155142 14.008331 BFGS: 1962 18:29:36 -4107.588150 14.035380 BFGS: 1963 18:29:36 -4108.021919 14.060830 BFGS: 1964 18:29:37 -4108.457165 14.085251 BFGS: 1965 18:29:37 -4108.894009 14.108273 BFGS: 1966 18:29:38 -4109.331532 14.130227 BFGS: 1967 18:29:39 -4109.769820 14.151217 BFGS: 1968 18:29:39 -4110.206344 14.170458 BFGS: 1969 18:29:40 -4110.642611 14.188697 BFGS: 1970 18:29:41 -4111.080839 14.206019 BFGS: 1971 18:29:41 -4111.520603 14.222359 BFGS: 1972 18:29:42 -4111.961566 14.237781 BFGS: 1973 18:29:43 -4112.403442 14.252410 BFGS: 1974 18:29:43 -4112.845186 14.266257 BFGS: 1975 18:29:44 -4113.287322 14.279251 BFGS: 1976 18:29:45 -4113.730639 14.291569 BFGS: 1977 18:29:46 -4114.174728 14.303243 BFGS: 1978 18:29:47 -4114.619000 14.314228 BFGS: 1979 18:29:47 -4115.063734 14.324896 BFGS: 1980 18:29:48 -4115.509380 14.334914 BFGS: 1981 18:29:49 -4115.955087 14.342466 BFGS: 1982 18:29:50 -4116.400617 14.351627 BFGS: 1983 18:29:50 -4116.847283 14.360575 BFGS: 1984 18:29:51 -4117.294885 14.369014 BFGS: 1985 18:29:52 -4117.743382 14.377239 BFGS: 1986 18:29:52 -4118.193488 14.385198 BFGS: 1987 18:29:53 -4118.644838 14.392963 BFGS: 1988 18:29:54 -4119.096933 14.400345 BFGS: 1989 18:29:55 -4119.550893 14.407878 BFGS: 1990 18:29:55 -4120.007014 14.417741 BFGS: 1991 18:29:56 -4120.465215 14.424961 BFGS: 1992 18:29:57 -4120.925806 14.432108 BFGS: 1993 18:29:58 -4121.388178 14.439686 BFGS: 1994 18:29:59 -4121.853062 14.447309 BFGS: 1995 18:29:59 -4122.320870 14.455064 BFGS: 1996 18:30:00 -4122.790771 14.462369 BFGS: 1997 18:30:02 -4123.261498 14.469964 BFGS: 1998 18:30:03 -4123.735946 14.478040 BFGS: 1999 18:30:04 -4124.213786 14.486479 BFGS: 2000 18:30:05 -4124.695417 14.495312 BFGS: 2001 18:30:06 -4125.181478 14.504443 BFGS: 2002 18:30:07 -4125.671472 14.514083 BFGS: 2003 18:30:08 -4126.164525 14.524028 BFGS: 2004 18:30:09 -4126.661651 14.534743 BFGS: 2005 18:30:09 -4127.163569 14.545649 BFGS: 2006 18:30:10 -4127.670612 14.557297 BFGS: 2007 18:30:11 -4128.183180 14.569757 BFGS: 2008 18:30:13 -4128.702121 14.583086 BFGS: 2009 18:30:14 -4129.226084 14.596999 BFGS: 2010 18:30:15 -4129.755876 14.611900 BFGS: 2011 18:30:15 -4130.292148 14.630039 BFGS: 2012 18:30:16 -4130.835089 14.646329 BFGS: 2013 18:30:17 -4131.384511 14.663675 BFGS: 2014 18:30:17 -4131.940714 14.682004 BFGS: 2015 18:30:18 -4132.503055 14.701063 BFGS: 2016 18:30:19 -4133.071682 14.720318 BFGS: 2017 18:30:20 -4133.646904 14.740715 BFGS: 2018 18:30:21 -4134.227517 14.762235 BFGS: 2019 18:30:22 -4134.814810 14.785114 BFGS: 2020 18:30:24 -4135.409142 14.808379 BFGS: 2021 18:30:24 -4136.008391 14.830096 BFGS: 2022 18:30:26 -4136.614547 14.855244 BFGS: 2023 18:30:27 -4137.227649 14.880563 BFGS: 2024 18:30:28 -4137.847895 14.906035 BFGS: 2025 18:30:29 -4138.475117 14.932158 BFGS: 2026 18:30:30 -4139.109457 14.958493 BFGS: 2027 18:30:31 -4139.750383 14.985145 BFGS: 2028 18:30:33 -4140.398965 15.011466 BFGS: 2029 18:30:34 -4141.054681 15.036913 BFGS: 2030 18:30:34 -4141.718063 15.062321 BFGS: 2031 18:30:35 -4142.389379 15.086209 BFGS: 2032 18:30:36 -4143.068958 15.108845 BFGS: 2033 18:30:37 -4143.756085 15.128820 BFGS: 2034 18:30:38 -4144.452967 15.147276 BFGS: 2035 18:30:39 -4145.160684 15.163474 BFGS: 2036 18:30:40 -4145.880669 15.177101 BFGS: 2037 18:30:41 -4146.613973 15.187042 BFGS: 2038 18:30:42 -4147.362680 15.193179 BFGS: 2039 18:30:43 -4148.127066 15.194124 BFGS: 2040 18:30:45 -4148.910094 15.190386 BFGS: 2041 18:30:46 -4149.712939 15.354605 BFGS: 2042 18:30:47 -4150.538200 15.565245 BFGS: 2043 18:30:47 -4151.387125 15.776572 BFGS: 2044 18:30:48 -4152.260584 15.982754 BFGS: 2045 18:30:49 -4153.160706 16.188311 BFGS: 2046 18:30:50 -4154.091217 16.385818 BFGS: 2047 18:30:51 -4155.054346 16.580570 BFGS: 2048 18:30:52 -4156.051052 16.762312 BFGS: 2049 18:30:53 -4157.081563 16.940874 BFGS: 2050 18:30:54 -4158.145677 17.103257 BFGS: 2051 18:30:55 -4159.243492 17.260302 BFGS: 2052 18:30:55 -4160.345031 17.393365 BFGS: 2053 18:30:56 -4161.419484 17.510454 BFGS: 2054 18:30:56 -4162.469232 17.604541 BFGS: 2055 18:30:57 -4163.498639 17.684773 BFGS: 2056 18:30:57 -4164.509212 17.736039 BFGS: 2057 18:30:58 -4165.503986 17.781547 BFGS: 2058 18:30:59 -4166.484451 17.799985 BFGS: 2059 18:31:00 -4167.453419 17.818655 BFGS: 2060 18:31:01 -4168.410105 17.808668 BFGS: 2061 18:31:02 -4169.358118 17.797626 BFGS: 2062 18:31:03 -4170.296782 17.759705 BFGS: 2063 18:31:04 -4171.227568 17.728060 BFGS: 2064 18:31:06 -4172.150650 17.667465 BFGS: 2065 18:31:07 -4173.066479 17.617733 BFGS: 2066 18:31:08 -4173.975965 17.538352 BFGS: 2067 18:31:09 -4174.880052 17.470313 BFGS: 2068 18:31:11 -4175.777441 17.373816 BFGS: 2069 18:31:12 -4176.670146 17.286700 BFGS: 2070 18:31:13 -4177.556254 17.178799 BFGS: 2071 18:31:14 -4178.437673 17.075869 BFGS: 2072 18:31:15 -4179.312868 16.955028 BFGS: 2073 18:31:16 -4180.183749 16.839072 BFGS: 2074 18:31:18 -4181.049346 16.707435 BFGS: 2075 18:31:19 -4181.910690 16.579070 BFGS: 2076 18:31:20 -4182.766752 16.438870 BFGS: 2077 18:31:21 -4183.618328 16.300607 BFGS: 2078 18:31:23 -4184.464917 16.152010 BFGS: 2079 18:31:24 -4185.306709 16.004726 BFGS: 2080 18:31:25 -4186.143371 15.847632 BFGS: 2081 18:31:26 -4186.975601 15.691815 BFGS: 2082 18:31:27 -4187.802903 15.528374 BFGS: 2083 18:31:28 -4188.625791 15.366093 BFGS: 2084 18:31:30 -4189.443845 15.196100 BFGS: 2085 18:31:31 -4190.257114 15.026844 BFGS: 2086 18:31:32 -4191.065699 14.851087 BFGS: 2087 18:31:34 -4191.869893 14.674999 BFGS: 2088 18:31:35 -4192.669435 14.494079 BFGS: 2089 18:31:36 -4193.464178 14.312206 BFGS: 2090 18:31:37 -4194.253701 14.124660 BFGS: 2091 18:31:38 -4195.039115 13.940190 BFGS: 2092 18:31:39 -4195.819423 13.750062 BFGS: 2093 18:31:40 -4196.595642 13.563489 BFGS: 2094 18:31:41 -4197.367507 13.535917 BFGS: 2095 18:31:42 -4198.135270 13.506115 BFGS: 2096 18:31:43 -4198.898763 13.473922 BFGS: 2097 18:31:44 -4199.658048 13.439457 BFGS: 2098 18:31:45 -4200.413100 13.404280 BFGS: 2099 18:31:46 -4201.163538 13.365096 BFGS: 2100 18:31:47 -4201.909726 13.325370 BFGS: 2101 18:31:48 -4202.651822 13.282930 BFGS: 2102 18:31:50 -4203.388874 13.237850 BFGS: 2103 18:31:51 -4204.122127 13.190736 BFGS: 2104 18:31:52 -4204.851474 13.141810 BFGS: 2105 18:31:53 -4205.576555 13.094146 BFGS: 2106 18:31:54 -4206.297356 13.040682 BFGS: 2107 18:31:55 -4207.014098 12.986027 BFGS: 2108 18:31:56 -4207.726805 12.928254 BFGS: 2109 18:31:57 -4208.435597 12.869154 BFGS: 2110 18:31:57 -4209.140004 12.808190 BFGS: 2111 18:31:59 -4209.840636 12.745398 BFGS: 2112 18:32:00 -4210.537228 12.680004 BFGS: 2113 18:32:01 -4211.229417 12.613717 BFGS: 2114 18:32:02 -4211.917685 12.546880 BFGS: 2115 18:32:02 -4212.601236 12.476982 BFGS: 2116 18:32:03 -4213.280658 12.405162 BFGS: 2117 18:32:04 -4213.956446 12.333281 BFGS: 2118 18:32:05 -4214.628416 12.259145 BFGS: 2119 18:32:06 -4215.296381 12.181411 BFGS: 2120 18:32:07 -4215.960816 12.102782 BFGS: 2121 18:32:08 -4216.621048 12.023858 BFGS: 2122 18:32:09 -4217.276966 11.945705 BFGS: 2123 18:32:09 -4217.928860 11.863104 BFGS: 2124 18:32:10 -4218.577085 11.777923 BFGS: 2125 18:32:11 -4219.221928 11.690737 BFGS: 2126 18:32:11 -4219.862749 11.601748 BFGS: 2127 18:32:12 -4220.500247 11.511978 BFGS: 2128 18:32:13 -4221.134141 11.453016 BFGS: 2129 18:32:14 -4221.764179 11.547920 BFGS: 2130 18:32:15 -4222.390272 11.642941 BFGS: 2131 18:32:16 -4223.012980 11.736779 BFGS: 2132 18:32:17 -4223.631848 11.831986 BFGS: 2133 18:32:18 -4224.247250 11.925483 BFGS: 2134 18:32:18 -4224.859329 12.019793 BFGS: 2135 18:32:19 -4225.467752 12.112659 BFGS: 2136 18:32:19 -4226.072851 12.206785 BFGS: 2137 18:32:20 -4226.674370 12.299695 BFGS: 2138 18:32:21 -4227.272319 12.394441 BFGS: 2139 18:32:22 -4227.866659 12.485843 BFGS: 2140 18:32:22 -4228.456805 12.580047 BFGS: 2141 18:32:23 -4229.044265 12.669623 BFGS: 2142 18:32:24 -4229.627810 12.764572 BFGS: 2143 18:32:24 -4230.208316 12.853605 BFGS: 2144 18:32:25 -4230.785045 12.947017 BFGS: 2145 18:32:26 -4231.357583 13.035788 BFGS: 2146 18:32:26 -4231.926592 13.129366 BFGS: 2147 18:32:27 -4232.492552 13.217019 BFGS: 2148 18:32:28 -4233.054256 13.310091 BFGS: 2149 18:32:29 -4233.612229 13.396212 BFGS: 2150 18:32:29 -4234.165956 13.488343 BFGS: 2151 18:32:30 -4234.716068 13.573800 BFGS: 2152 18:32:30 -4235.262009 13.664131 BFGS: 2153 18:32:31 -4235.802986 13.748875 BFGS: 2154 18:32:31 -4236.339203 13.840069 BFGS: 2155 18:32:32 -4236.870826 13.923094 BFGS: 2156 18:32:33 -4237.397693 14.015806 BFGS: 2157 18:32:34 -4237.919677 14.097404 BFGS: 2158 18:32:35 -4238.436131 14.191754 BFGS: 2159 18:32:35 -4238.947569 14.270555 BFGS: 2160 18:32:36 -4239.453079 14.368622 BFGS: 2161 18:32:37 -4239.953994 14.444280 BFGS: 2162 18:32:38 -4240.449615 14.544263 BFGS: 2163 18:32:39 -4240.939524 14.617770 BFGS: 2164 18:32:39 -4241.423993 14.722023 BFGS: 2165 18:32:40 -4241.904246 14.793019 BFGS: 2166 18:32:41 -4242.379371 14.901094 BFGS: 2167 18:32:42 -4242.850023 14.970050 BFGS: 2168 18:32:42 -4243.315326 15.084282 BFGS: 2169 18:32:43 -4243.777288 15.149947 BFGS: 2170 18:32:44 -4244.234796 15.268377 BFGS: 2171 18:32:45 -4244.689647 15.333227 BFGS: 2172 18:32:45 -4245.139478 15.451897 BFGS: 2173 18:32:46 -4245.587502 15.520162 BFGS: 2174 18:32:47 -4246.032483 15.639061 BFGS: 2175 18:32:47 -4246.476091 15.711517 BFGS: 2176 18:32:48 -4246.917442 15.828248 BFGS: 2177 18:32:49 -4247.357830 15.906493 BFGS: 2178 18:32:49 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8.858819 BFGS: 2916 18:42:04 -4735.554084 8.762303 BFGS: 2917 18:42:05 -4735.845836 8.663310 BFGS: 2918 18:42:06 -4736.125206 8.576632 BFGS: 2919 18:42:07 -4736.393689 8.473872 BFGS: 2920 18:42:08 -4736.652829 8.372262 BFGS: 2921 18:42:09 -4736.904101 8.354677 BFGS: 2922 18:42:10 -4737.148932 8.385115 BFGS: 2923 18:42:11 -4737.390198 8.417019 BFGS: 2924 18:42:12 -4737.630937 8.417615 BFGS: 2925 18:42:12 -4737.876314 8.413090 BFGS: 2926 18:42:13 -4738.133610 8.366329 BFGS: 2927 18:42:14 -4738.415185 8.300250 BFGS: 2928 18:42:15 -4738.735409 8.155980 BFGS: 2929 18:42:16 -4739.117977 7.967593 BFGS: 2930 18:42:17 -4739.490468 7.671833 BFGS: 2931 18:42:18 -4739.795889 7.473819 BFGS: 2932 18:42:18 -4740.077629 7.191566 BFGS: 2933 18:42:19 -4740.341220 6.957047 BFGS: 2934 18:42:20 -4740.580315 6.635260 BFGS: 2935 18:42:21 -4740.813681 6.330063 BFGS: 2936 18:42:22 -4741.036341 5.898726 BFGS: 2937 18:42:23 -4741.277995 5.444291 BFGS: 2938 18:42:24 -4741.516861 4.875644 BFGS: 2939 18:42:25 -4741.806731 4.876882 BFGS: 2940 18:42:25 -4742.137188 5.045370 BFGS: 2941 18:42:26 -4742.359754 5.257652 BFGS: 2942 18:42:27 -4742.574498 5.488830 BFGS: 2943 18:42:28 -4742.786161 5.606089 BFGS: 2944 18:42:28 -4743.010269 5.674133 BFGS: 2945 18:42:29 -4743.264133 5.768719 BFGS: 2946 18:42:30 -4743.587739 6.007188 BFGS: 2947 18:42:31 -4744.019422 6.243519 BFGS: 2948 18:42:31 -4744.456344 6.273166 BFGS: 2949 18:42:32 -4744.797073 6.145497 BFGS: 2950 18:42:32 -4745.068569 5.981103 BFGS: 2951 18:42:32 -4745.315369 5.755385 BFGS: 2952 18:42:33 -4745.546410 5.491708 BFGS: 2953 18:42:33 -4745.771140 5.140930 BFGS: 2954 18:42:34 -4745.999810 4.697053 BFGS: 2955 18:42:35 -4746.265187 4.105896 BFGS: 2956 18:42:36 -4746.522913 4.313030 BFGS: 2957 18:42:36 -4746.903706 4.349291 BFGS: 2958 18:42:37 -4747.149214 4.217240 BFGS: 2959 18:42:38 -4747.371928 4.176235 BFGS: 2960 18:42:39 -4747.612788 4.075680 BFGS: 2961 18:42:40 -4747.908192 3.950770 BFGS: 2962 18:42:41 -4748.181317 3.891563 BFGS: 2963 18:42:41 -4748.573051 3.997660 BFGS: 2964 18:42:42 -4748.813761 3.946625 BFGS: 2965 18:42:43 -4749.049475 3.848997 BFGS: 2966 18:42:44 -4749.304265 3.989210 BFGS: 2967 18:42:44 -4749.605407 4.269444 BFGS: 2968 18:42:45 -4749.906993 4.625535 BFGS: 2969 18:42:46 -4750.188400 4.982059 BFGS: 2970 18:42:47 -4750.483283 5.342273 BFGS: 2971 18:42:47 -4750.784620 5.686517 BFGS: 2972 18:42:48 -4751.047809 5.962697 BFGS: 2973 18:42:49 -4751.281956 6.184284 BFGS: 2974 18:42:50 -4751.497054 6.367513 BFGS: 2975 18:42:50 -4751.698792 6.515385 BFGS: 2976 18:42:51 -4751.889935 6.638873 BFGS: 2977 18:42:52 -4752.072413 6.735178 BFGS: 2978 18:42:53 -4752.247653 6.805224 BFGS: 2979 18:42:53 -4752.416655 6.845456 BFGS: 2980 18:42:54 -4752.581623 6.849304 BFGS: 2981 18:42:55 -4752.746147 6.808355 BFGS: 2982 18:42:56 -4752.914851 6.701471 BFGS: 2983 18:42:56 -4753.102542 6.474069 BFGS: 2984 18:42:57 -4753.324993 6.044055 BFGS: 2985 18:42:58 -4753.571854 5.482821 BFGS: 2986 18:42:59 -4753.922910 4.640643 BFGS: 2987 18:42:59 -4754.206279 4.061670 BFGS: 2988 18:43:00 -4754.520438 3.602301 BFGS: 2989 18:43:01 -4754.807197 3.462645 BFGS: 2990 18:43:02 -4755.012062 3.397387 BFGS: 2991 18:43:03 -4755.174421 3.458420 BFGS: 2992 18:43:03 -4755.318600 3.565597 BFGS: 2993 18:43:04 -4755.454239 3.629590 BFGS: 2994 18:43:05 -4755.583378 3.721255 BFGS: 2995 18:43:06 -4755.709162 3.790525 BFGS: 2996 18:43:07 -4755.832633 3.878525 BFGS: 2997 18:43:08 -4755.956076 3.950732 BFGS: 2998 18:43:08 -4756.080761 4.031760 BFGS: 2999 18:43:09 -4756.211459 4.103074 BFGS: 3000 18:43:10 -4756.351632 4.179043 BFGS: 3001 18:43:11 -4756.511227 4.242842 BFGS: 3002 18:43:12 -4756.708714 4.293690 BFGS: 3003 18:43:13 -4756.931368 4.250516 BFGS: 3004 18:43:13 -4757.078810 4.163304 BFGS: 3005 18:43:14 -4757.206326 4.102713 BFGS: 3006 18:43:15 -4757.318249 3.983706 BFGS: 3007 18:43:16 -4757.418785 3.847442 BFGS: 3008 18:43:17 -4757.504744 3.696555 BFGS: 3009 18:43:17 -4757.580731 3.550444 BFGS: 3010 18:43:18 -4757.646445 3.403440 BFGS: 3011 18:43:19 -4757.706330 3.266664 BFGS: 3012 18:43:20 -4757.764525 3.123662 BFGS: 3013 18:43:21 -4757.828536 2.988733 BFGS: 3014 18:43:21 -4757.916788 2.853222 BFGS: 3015 18:43:22 -4757.997643 2.834938 BFGS: 3016 18:43:23 -4758.059359 2.849808 BFGS: 3017 18:43:24 -4758.113371 2.878262 BFGS: 3018 18:43:25 -4758.161626 2.899067 BFGS: 3019 18:43:26 -4758.205405 2.922798 BFGS: 3020 18:43:26 -4758.245196 2.929839 BFGS: 3021 18:43:27 -4758.282033 2.931195 BFGS: 3022 18:43:28 -4758.317705 2.904825 BFGS: 3023 18:43:29 -4758.355708 2.863696 BFGS: 3024 18:43:30 -4758.403284 2.767999 BFGS: 3025 18:43:31 -4758.474760 2.650765 BFGS: 3026 18:43:32 -4758.573808 2.482505 BFGS: 3027 18:43:33 -4758.696971 2.419621 BFGS: 3028 18:43:34 -4758.781014 2.377084 BFGS: 3029 18:43:35 -4758.860349 2.369997 BFGS: 3030 18:43:36 -4758.946720 2.374512 BFGS: 3031 18:43:36 -4759.046000 2.408256 BFGS: 3032 18:43:37 -4759.170553 2.459694 BFGS: 3033 18:43:37 -4759.337505 2.558480 BFGS: 3034 18:43:38 -4759.471990 2.594495 BFGS: 3035 18:43:39 -4759.574332 2.565025 BFGS: 3036 18:43:40 -4759.653200 2.493682 BFGS: 3037 18:43:40 -4759.721183 2.531306 BFGS: 3038 18:43:41 -4759.781177 2.613528 BFGS: 3039 18:43:42 -4759.834699 2.691656 BFGS: 3040 18:43:43 -4759.885694 2.752538 BFGS: 3041 18:43:44 -4759.925578 2.714013 BFGS: 3042 18:43:45 -4759.995325 2.727732 BFGS: 3043 18:43:45 -4760.059623 2.711551 BFGS: 3044 18:43:46 -4760.118307 2.614313 BFGS: 3045 18:43:47 -4760.183072 2.415876 BFGS: 3046 18:43:48 -4760.257093 2.156285 BFGS: 3047 18:43:49 -4760.332187 2.032504 BFGS: 3048 18:43:50 -4760.373729 2.120510 BFGS: 3049 18:43:50 -4760.400147 2.159793 BFGS: 3050 18:43:51 -4760.413827 2.175150 BFGS: 3051 18:43:52 -4760.430527 2.142607 BFGS: 3052 18:43:53 -4760.443821 2.080413 BFGS: 3053 18:43:53 -4760.457146 1.995121 BFGS: 3054 18:43:54 -4760.469447 1.925473 BFGS: 3055 18:43:55 -4760.486425 1.869887 BFGS: 3056 18:43:56 -4760.504872 1.817667 BFGS: 3057 18:43:57 -4760.530157 1.782598 BFGS: 3058 18:43:58 -4760.563741 1.706786 BFGS: 3059 18:43:59 -4760.622339 1.573583 BFGS: 3060 18:43:59 -4760.702707 1.490729 BFGS: 3061 18:44:00 -4760.788108 1.357359 BFGS: 3062 18:44:00 -4760.837716 1.243925 BFGS: 3063 18:44:01 -4760.877077 1.166299 BFGS: 3064 18:44:02 -4760.900577 1.137660 BFGS: 3065 18:44:03 -4760.917697 1.142665 BFGS: 3066 18:44:04 -4760.934797 1.170941 BFGS: 3067 18:44:04 -4760.947073 1.196497 BFGS: 3068 18:44:05 -4760.961698 1.189957 BFGS: 3069 18:44:06 -4760.982379 1.178391 BFGS: 3070 18:44:07 -4761.015819 1.232180 BFGS: 3071 18:44:08 -4761.064832 1.305214 BFGS: 3072 18:44:09 -4761.132872 1.410248 BFGS: 3073 18:44:10 -4761.229077 1.409621 BFGS: 3074 18:44:11 -4761.341092 1.560832 BFGS: 3075 18:44:12 -4761.448720 1.466004 BFGS: 3076 18:44:13 -4761.516825 1.262107 BFGS: 3077 18:44:14 -4761.560307 1.075303 BFGS: 3078 18:44:14 -4761.580895 0.872885 BFGS: 3079 18:44:15 -4761.594151 0.745901 BFGS: 3080 18:44:16 -4761.600704 0.789946 BFGS: 3081 18:44:17 -4761.604810 0.846464 BFGS: 3082 18:44:18 -4761.607783 0.882400 BFGS: 3083 18:44:19 -4761.610005 0.899110 BFGS: 3084 18:44:19 -4761.611420 0.900498 BFGS: 3085 18:44:20 -4761.612281 0.898499 BFGS: 3086 18:44:21 -4761.613032 0.898654 BFGS: 3087 18:44:22 -4761.613927 0.903946 BFGS: 3088 18:44:22 -4761.615035 0.915589 BFGS: 3089 18:44:23 -4761.616929 0.937981 BFGS: 3090 18:44:24 -4761.619629 0.961605 BFGS: 3091 18:44:24 -4761.625225 0.991454 BFGS: 3092 18:44:25 -4761.632574 0.996870 BFGS: 3093 18:44:26 -4761.646037 0.959859 BFGS: 3094 18:44:27 -4761.664184 0.960262 BFGS: 3095 18:44:28 -4761.693552 0.870837 BFGS: 3096 18:44:29 -4761.733597 0.678656 BFGS: 3097 18:44:30 -4761.775178 0.563222 BFGS: 3098 18:44:31 -4761.801536 0.415008 BFGS: 3099 18:44:32 -4761.811408 0.335753 BFGS: 3100 18:44:33 -4761.814175 0.314386 BFGS: 3101 18:44:33 -4761.815273 0.308033 BFGS: 3102 18:44:34 -4761.815847 0.300420 BFGS: 3103 18:44:35 -4761.816223 0.305001 BFGS: 3104 18:44:36 -4761.816542 0.316908 BFGS: 3105 18:44:37 -4761.816876 0.327231 BFGS: 3106 18:44:39 -4761.817215 0.332797 BFGS: 3107 18:44:40 -4761.817632 0.329907 BFGS: 3108 18:44:41 -4761.818235 0.318680 BFGS: 3109 18:44:42 -4761.819386 0.290991 BFGS: 3110 18:44:43 -4761.821459 0.254916 BFGS: 3111 18:44:44 -4761.824900 0.244275 BFGS: 3112 18:44:45 -4761.828976 0.215709 BFGS: 3113 18:44:46 -4761.832352 0.177613 BFGS: 3114 18:44:47 -4761.834181 0.147589 BFGS: 3115 18:44:48 -4761.834969 0.131660 BFGS: 3116 18:44:49 -4761.835266 0.140433 BFGS: 3117 18:44:51 -4761.835368 0.150437 BFGS: 3118 18:44:52 -4761.835404 0.153688 BFGS: 3119 18:44:53 -4761.835440 0.156632 BFGS: 3120 18:44:54 -4761.835487 0.158292 BFGS: 3121 18:44:55 -4761.835586 0.160057 BFGS: 3122 18:44:55 -4761.835774 0.159396 BFGS: 3123 18:44:56 -4761.836182 0.154399 BFGS: 3124 18:44:57 -4761.836986 0.138209 BFGS: 3125 18:44:57 -4761.838375 0.137692 BFGS: 3126 18:44:58 -4761.840038 0.131099 BFGS: 3127 18:44:59 -4761.841143 0.089074 BFGS: 3128 18:45:00 -4761.841466 0.052611 BFGS: 3129 18:45:01 -4761.841522 0.055525 BFGS: 3130 18:45:01 -4761.841535 0.059900 BFGS: 3131 18:45:02 -4761.841543 0.063656 BFGS: 3132 18:45:03 -4761.841551 0.066716 BFGS: 3133 18:45:04 -4761.841566 0.071002 BFGS: 3134 18:45:04 -4761.841594 0.076383 BFGS: 3135 18:45:06 -4761.841663 0.084113 BFGS: 3136 18:45:07 -4761.841796 0.090128 BFGS: 3137 18:45:08 -4761.842048 0.087706 BFGS: 3138 18:45:09 -4761.842366 0.068325 BFGS: 3139 18:45:09 -4761.842636 0.048789 BFGS: 3140 18:45:10 -4761.842758 0.023104 BFGS: 3141 18:45:11 -4761.842793 0.009991 BFGS: 3142 18:45:12 -4761.842801 0.007510 BFGS: 3143 18:45:13 -4761.842803 0.007710 BFGS: 3144 18:45:13 -4761.842804 0.007960 BFGS: 3145 18:45:14 -4761.842804 0.008152 BFGS: 3146 18:45:15 -4761.842804 0.008314 BFGS: 3147 18:45:16 -4761.842804 0.008424 BFGS: 3148 18:45:16 -4761.842804 0.008532 BFGS: 3149 18:45:17 -4761.842804 0.008588 BFGS: 3150 18:45:17 -4761.842805 0.008715 BFGS: 3151 18:45:18 -4761.842805 0.008811 BFGS: 3152 18:45:18 -4761.842808 0.008945 BFGS: 3153 18:45:19 -4761.842813 0.010299 BFGS: 3154 18:45:20 -4761.842824 0.011590 BFGS: 3155 18:45:21 -4761.842838 0.011093 BFGS: 3156 18:45:22 -4761.842848 0.007337 BFGS: 3157 18:45:23 -4761.842851 0.003181 BFGS: 3158 18:45:24 -4761.842852 0.001214 BFGS: 3159 18:45:25 -4761.842852 0.000650 BFGS: 3160 18:45:26 -4761.842852 0.000442 BFGS: 3161 18:45:27 -4761.842852 0.000415 BFGS: 3162 18:45:28 -4761.842852 0.000414 BFGS: 3163 18:45:29 -4761.842852 0.000425 BFGS: 3164 18:45:29 -4761.842852 0.000442 BFGS: 3165 18:45:30 -4761.842852 0.000492 BFGS: 3166 18:45:31 -4761.842852 0.000496 BFGS: 3167 18:45:31 -4761.842852 0.000503 BFGS: 3168 18:45:32 -4761.842852 0.000506 BFGS: 3169 18:45:33 -4761.842852 0.000509 BFGS: 3170 18:45:34 -4761.842852 0.000731 BFGS: 3171 18:45:35 -4761.842852 0.000950 BFGS: 3172 18:45:36 -4761.842852 0.000968 BFGS: 3173 18:45:37 -4761.842852 0.000613 BFGS: 3174 18:45:38 -4761.842852 0.000180 BFGS: 3175 18:45:39 -4761.842852 0.000051 BFGS: 3176 18:45:40 -4761.842852 0.000017 BFGS: 3177 18:45:41 -4761.842852 0.000006 BFGS: 3178 18:45:42 -4761.842852 0.000002 BFGS: 3179 18:45:43 -4761.842852 0.000001 BFGS: 3180 18:45:44 -4761.842852 0.000000 BFGS: 3181 18:45:45 -4761.842852 0.000000 BFGS: 3182 18:45:47 -4761.842852 0.000000 BFGS: 3183 18:45:47 -4761.842852 0.000000 BFGS: 3184 18:45:48 -4761.842852 0.000000 BFGS: 3185 18:45:49 -4761.842852 0.000000 Minimization converged after 3185 steps. Maximum force component: 1.1723306742907056e-08 eV/Angstrom Maximum stress component: 3.631677598726639e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', '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 = [[2.50000000e-01 2.50000000e-01 2.81342671e-16] [7.50000000e-01 2.50000000e-01 7.69003300e-15] [7.50000000e-01 7.50000000e-01 7.50247122e-15] [2.50000000e-01 7.50000000e-01 2.81342671e-16] [8.74166130e-01 2.67394579e-33 4.37349538e-01] [1.25833870e-01 0.00000000e+00 5.62650462e-01] [3.74166130e-01 5.00000000e-01 4.37349538e-01] [6.25833870e-01 5.00000000e-01 5.62650462e-01] [4.06810564e-01 1.04900950e-32 5.67808147e-01] [5.93189436e-01 2.65337697e-32 4.32191853e-01] [9.06810564e-01 5.00000000e-01 5.67808147e-01] [9.31894361e-02 5.00000000e-01 4.32191853e-01] [2.79807049e-01 0.00000000e+00 3.47815509e-01] [7.20192951e-01 6.12950650e-32 6.52184491e-01] [7.79807049e-01 5.00000000e-01 3.47815509e-01] [2.20192951e-01 5.00000000e-01 6.52184491e-01] [3.77241173e-02 0.00000000e+00 6.93657437e-01] [9.62275883e-01 0.00000000e+00 3.06342563e-01] [5.37724117e-01 5.00000000e-01 6.93657437e-01] [4.62275883e-01 5.00000000e-01 3.06342563e-01] [7.80394537e-01 1.16830862e-31 2.07549201e-02] [2.19605463e-01 0.00000000e+00 9.79245080e-01] [2.80394537e-01 5.00000000e-01 2.07549201e-02] [7.19605463e-01 5.00000000e-01 9.79245080e-01] [6.01437053e-03 6.09865328e-32 2.73706850e-01] [9.93985629e-01 1.43981696e-32 7.26293150e-01] [5.06014371e-01 5.00000000e-01 2.73706850e-01] [4.93985629e-01 5.00000000e-01 7.26293150e-01] [8.22758578e-01 5.03935937e-32 4.59682155e-01] [1.77241422e-01 1.54266103e-32 5.40317845e-01] [3.22758578e-01 5.00000000e-01 4.59682155e-01] [6.77241422e-01 5.00000000e-01 5.40317845e-01] [3.78803431e-01 8.57921848e-02 6.07607377e-01] [6.21196569e-01 8.57921848e-02 3.92392623e-01] [8.78803431e-01 5.85792185e-01 6.07607377e-01] [1.21196569e-01 5.85792185e-01 3.92392623e-01] [6.21196569e-01 9.14207815e-01 3.92392623e-01] [3.78803431e-01 9.14207815e-01 6.07607377e-01] [1.21196569e-01 4.14207815e-01 3.92392623e-01] [8.78803431e-01 4.14207815e-01 6.07607377e-01] [5.82522992e-01 9.15219811e-01 8.14509505e-01] [4.17477008e-01 9.15219811e-01 1.85490495e-01] [8.25229921e-02 4.15219811e-01 8.14509505e-01] [9.17477008e-01 4.15219811e-01 1.85490495e-01] [4.17477008e-01 8.47801894e-02 1.85490495e-01] [5.82522992e-01 8.47801894e-02 8.14509505e-01] [9.17477008e-01 5.84780189e-01 1.85490495e-01] [8.25229921e-02 5.84780189e-01 8.14509505e-01] [4.31647713e-01 2.10423527e-01 6.13182502e-01] [5.68352287e-01 2.10423527e-01 3.86817498e-01] [9.31647713e-01 7.10423527e-01 6.13182502e-01] [6.83522873e-02 7.10423527e-01 3.86817498e-01] [5.68352287e-01 7.89576473e-01 3.86817498e-01] [4.31647713e-01 7.89576473e-01 6.13182502e-01] [6.83522873e-02 2.89576473e-01 3.86817498e-01] [9.31647713e-01 2.89576473e-01 6.13182502e-01] [4.06552836e-01 3.53101341e-01 5.29074486e-01] [5.93447164e-01 3.53101341e-01 4.70925514e-01] [9.06552836e-01 8.53101341e-01 5.29074486e-01] [9.34471640e-02 8.53101341e-01 4.70925514e-01] [5.93447164e-01 6.46898659e-01 4.70925514e-01] [4.06552836e-01 6.46898659e-01 5.29074486e-01] [9.34471640e-02 1.46898659e-01 4.70925514e-01] [9.06552836e-01 1.46898659e-01 5.29074486e-01] [1.16260085e-01 2.50258211e-01 1.44606972e-01] [8.83739915e-01 2.50258211e-01 8.55393028e-01] [6.16260085e-01 7.50258211e-01 1.44606972e-01] [3.83739915e-01 7.50258211e-01 8.55393028e-01] [8.83739915e-01 7.49741789e-01 8.55393028e-01] [1.16260085e-01 7.49741789e-01 1.44606972e-01] [3.83739915e-01 2.49741789e-01 8.55393028e-01] [6.16260085e-01 2.49741789e-01 1.44606972e-01] [6.79113355e-01 3.31463918e-01 6.49584046e-01] [3.20886645e-01 3.31463918e-01 3.50415954e-01] [1.79113355e-01 8.31463918e-01 6.49584046e-01] [8.20886645e-01 8.31463918e-01 3.50415954e-01] [3.20886645e-01 6.68536082e-01 3.50415954e-01] [6.79113355e-01 6.68536082e-01 6.49584046e-01] [8.20886645e-01 1.68536082e-01 3.50415954e-01] [1.79113355e-01 1.68536082e-01 6.49584046e-01] [3.24556179e-01 1.96553319e-01 4.11116579e-01] [6.75443821e-01 1.96553319e-01 5.88883421e-01] [8.24556179e-01 6.96553319e-01 4.11116579e-01] [1.75443821e-01 6.96553319e-01 5.88883421e-01] [6.75443821e-01 8.03446681e-01 5.88883421e-01] [3.24556179e-01 8.03446681e-01 4.11116579e-01] [1.75443821e-01 3.03446681e-01 5.88883421e-01] [8.24556179e-01 3.03446681e-01 4.11116579e-01] [1.90284819e-01 4.12801672e-01 2.49153324e-01] [8.09715181e-01 4.12801672e-01 7.50846676e-01] [6.90284819e-01 9.12801672e-01 2.49153324e-01] [3.09715181e-01 9.12801672e-01 7.50846676e-01] [8.09715181e-01 5.87198328e-01 7.50846676e-01] [1.90284819e-01 5.87198328e-01 2.49153324e-01] [3.09715181e-01 8.71983276e-02 7.50846676e-01] [6.90284819e-01 8.71983276e-02 2.49153324e-01] [5.67491131e-01 3.55610770e-01 7.79161569e-01] [4.32508869e-01 3.55610770e-01 2.20838431e-01] [6.74911313e-02 8.55610770e-01 7.79161569e-01] [9.32508869e-01 8.55610770e-01 2.20838431e-01] [4.32508869e-01 6.44389230e-01 2.20838431e-01] [5.67491131e-01 6.44389230e-01 7.79161569e-01] [9.32508869e-01 1.44389230e-01 2.20838431e-01] [6.74911313e-02 1.44389230e-01 7.79161569e-01] [7.28347912e-01 4.09131838e-01 9.18558247e-01] [2.71652088e-01 4.09131838e-01 8.14417533e-02] [2.28347912e-01 9.09131838e-01 9.18558247e-01] [7.71652088e-01 9.09131838e-01 8.14417533e-02] [2.71652088e-01 5.90868162e-01 8.14417533e-02] [7.28347912e-01 5.90868162e-01 9.18558247e-01] [7.71652088e-01 9.08681616e-02 8.14417533e-02] [2.28347912e-01 9.08681616e-02 9.18558247e-01] [5.41288297e-02 3.69662885e-01 9.83180565e-01] [9.45871170e-01 3.69662885e-01 1.68194350e-02] [5.54128830e-01 8.69662885e-01 9.83180565e-01] [4.45871170e-01 8.69662885e-01 1.68194350e-02] [9.45871170e-01 6.30337115e-01 1.68194350e-02] [5.41288297e-02 6.30337115e-01 9.83180565e-01] [4.45871170e-01 1.30337115e-01 1.68194350e-02] [5.54128830e-01 1.30337115e-01 9.83180565e-01] [2.62213090e-01 3.59206095e-01 4.67612382e-01] [7.37786910e-01 3.59206095e-01 5.32387618e-01] [7.62213090e-01 8.59206095e-01 4.67612382e-01] [2.37786910e-01 8.59206095e-01 5.32387618e-01] [7.37786910e-01 6.40793905e-01 5.32387618e-01] [2.62213090e-01 6.40793905e-01 4.67612382e-01] [2.37786910e-01 1.40793905e-01 5.32387618e-01] [7.62213090e-01 1.40793905e-01 4.67612382e-01] [1.26369434e-01 1.31606339e-01 2.50500174e-01] [8.73630566e-01 1.31606339e-01 7.49499826e-01] [6.26369434e-01 6.31606339e-01 2.50500174e-01] [3.73630566e-01 6.31606339e-01 7.49499826e-01] [8.73630566e-01 8.68393661e-01 7.49499826e-01] [1.26369434e-01 8.68393661e-01 2.50500174e-01] [3.73630566e-01 3.68393661e-01 7.49499826e-01] [6.26369434e-01 3.68393661e-01 2.50500174e-01] [2.63049584e-01 1.34835506e-01 2.33637500e-01] [7.36950416e-01 1.34835506e-01 7.66362500e-01] [7.63049584e-01 6.34835506e-01 2.33637500e-01] [2.36950416e-01 6.34835506e-01 7.66362500e-01] [7.36950416e-01 8.65164494e-01 7.66362500e-01] [2.63049584e-01 8.65164494e-01 2.33637500e-01] [2.36950416e-01 3.65164494e-01 7.66362500e-01] [7.63049584e-01 3.65164494e-01 2.33637500e-01] [6.15100672e-01 3.67785978e-01 6.87002854e-01] [3.84899328e-01 3.67785978e-01 3.12997146e-01] [1.15100672e-01 8.67785978e-01 6.87002854e-01] [8.84899328e-01 8.67785978e-01 3.12997146e-01] [3.84899328e-01 6.32214022e-01 3.12997146e-01] [6.15100672e-01 6.32214022e-01 6.87002854e-01] [8.84899328e-01 1.32214022e-01 3.12997146e-01] [1.15100672e-01 1.32214022e-01 6.87002854e-01] [6.05534979e-01 8.66788893e-01 7.38671542e-01] [3.94465021e-01 8.66788893e-01 2.61328458e-01] [1.05534979e-01 3.66788893e-01 7.38671542e-01] [8.94465021e-01 3.66788893e-01 2.61328458e-01] [3.94465021e-01 1.33211107e-01 2.61328458e-01] [6.05534979e-01 1.33211107e-01 7.38671542e-01] [8.94465021e-01 6.33211107e-01 2.61328458e-01] [1.05534979e-01 6.33211107e-01 7.38671542e-01] [9.29881602e-01 2.54763228e-01 1.20829520e-01] [7.01183981e-02 2.54763228e-01 8.79170480e-01] [4.29881602e-01 7.54763228e-01 1.20829520e-01] [5.70118398e-01 7.54763228e-01 8.79170480e-01] [7.01183981e-02 7.45236772e-01 8.79170480e-01] [9.29881602e-01 7.45236772e-01 1.20829520e-01] [5.70118398e-01 2.45236772e-01 8.79170480e-01] [4.29881602e-01 2.45236772e-01 1.20829520e-01]] cellpar = Cell([[18.152966964724232, 8.648774446688896e-18, 5.958513114230689], [-4.7929588371275395e-18, 7.490679696571211, -5.920426768127748e-17], [-15.334066251906455, -2.860385863813325e-17, -0.29784846711560153]]) forces = [[-3.87086252e-28 -7.22062906e-46 -7.51875236e-30] [-3.87086252e-28 -7.22062906e-46 -7.51875236e-30] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 7.74172505e-28 1.44412581e-45 1.50375047e-29] [ 6.45251105e-10 -4.27319763e-26 9.78111164e-09] [-6.45251105e-10 4.27319763e-26 -9.78111164e-09] [ 6.45251105e-10 -4.27319763e-26 9.78111164e-09] [-6.45251105e-10 4.27319763e-26 -9.78111164e-09] [-3.61358615e-09 -2.05323907e-26 2.99623109e-09] [ 3.61358615e-09 2.05323907e-26 -2.99623109e-09] [-3.61358615e-09 -2.05323907e-26 2.99623109e-09] [ 3.61358615e-09 2.05323907e-26 -2.99623109e-09] [ 2.69331441e-09 1.49342055e-26 -2.15109317e-09] [-2.69331441e-09 -1.49342055e-26 2.15109317e-09] [ 2.69331441e-09 1.49342055e-26 -2.15109317e-09] [-2.69331441e-09 -1.49342055e-26 2.15109317e-09] [-4.88452192e-09 1.37078647e-26 -5.16849746e-09] [ 4.88452192e-09 -1.36605918e-26 5.16849746e-09] [-4.88452192e-09 1.37078647e-26 -5.16849746e-09] [ 4.88452192e-09 -1.37078647e-26 5.16849746e-09] [-4.64611287e-09 2.75775809e-27 -2.63035730e-09] [ 4.64611287e-09 -2.75775809e-27 2.63035730e-09] [-4.64611287e-09 2.75775809e-27 -2.63035730e-09] [ 4.64611287e-09 -2.75775809e-27 2.63035730e-09] [-5.60610840e-09 1.04174341e-26 -4.75019910e-09] [ 5.60610840e-09 -1.04174341e-26 4.75019910e-09] [-5.60610840e-09 1.04174341e-26 -4.75019910e-09] [ 5.60610840e-09 -1.03937977e-26 4.75019910e-09] [-3.47191972e-09 2.76415740e-26 -7.65318828e-09] [ 3.47191972e-09 -2.76415740e-26 7.65318828e-09] [-3.47191972e-09 2.76415740e-26 -7.65318828e-09] [ 3.47191972e-09 -2.76415740e-26 7.65318828e-09] [-1.38538592e-10 3.52467902e-10 -3.93194248e-09] [ 1.38538592e-10 3.52467902e-10 3.93194248e-09] [-1.38538592e-10 3.52467902e-10 -3.93194248e-09] [ 1.38538592e-10 3.52467902e-10 3.93194248e-09] [ 1.38538592e-10 -3.52467902e-10 3.93194248e-09] [-1.38538592e-10 -3.52467902e-10 -3.93194248e-09] [ 1.38538592e-10 -3.52467902e-10 3.93194248e-09] [-1.38538592e-10 -3.52467902e-10 -3.93194248e-09] [-7.51313001e-09 2.06099804e-09 1.17233067e-08] [ 7.51313001e-09 2.06099804e-09 -1.17233067e-08] [-7.51313001e-09 2.06099804e-09 1.17233067e-08] [ 7.51313001e-09 2.06099804e-09 -1.17233067e-08] [ 7.51313001e-09 -2.06099804e-09 -1.17233067e-08] [-7.51313001e-09 -2.06099804e-09 1.17233067e-08] [ 7.51313001e-09 -2.06099804e-09 -1.17233067e-08] [-7.51313001e-09 -2.06099804e-09 1.17233067e-08] [ 3.62045902e-10 1.61012896e-09 -3.96621257e-09] [-3.62045902e-10 1.61012896e-09 3.96621257e-09] [ 3.62045902e-10 1.61012896e-09 -3.96621257e-09] [-3.62045902e-10 1.61012896e-09 3.96621257e-09] [-3.62045902e-10 -1.61012896e-09 3.96621257e-09] [ 3.62045902e-10 -1.61012896e-09 -3.96621257e-09] [-3.62045902e-10 -1.61012896e-09 3.96621257e-09] [ 3.62045902e-10 -1.61012896e-09 -3.96621257e-09] [-6.70196813e-09 -6.90311963e-09 1.10296280e-08] [ 6.70196813e-09 -6.90311963e-09 -1.10296280e-08] [-6.70196813e-09 -6.90311963e-09 1.10296280e-08] [ 6.70196813e-09 -6.90311963e-09 -1.10296280e-08] [ 6.70196813e-09 6.90311963e-09 -1.10296280e-08] [-6.70196813e-09 6.90311963e-09 1.10296280e-08] [ 6.70196813e-09 6.90311963e-09 -1.10296280e-08] [-6.70196813e-09 6.90311963e-09 1.10296280e-08] [ 2.20044609e-09 2.59603063e-09 -1.19182937e-09] [-2.20044609e-09 2.59603063e-09 1.19182937e-09] [ 2.20044609e-09 2.59603063e-09 -1.19182937e-09] [-2.20044609e-09 2.59603063e-09 1.19182937e-09] [-2.20044609e-09 -2.59603063e-09 1.19182937e-09] [ 2.20044609e-09 -2.59603063e-09 -1.19182937e-09] [-2.20044609e-09 -2.59603063e-09 1.19182937e-09] [ 2.20044609e-09 -2.59603063e-09 -1.19182937e-09] [-3.33272827e-10 1.51526653e-09 -4.99382469e-10] [ 3.33272827e-10 1.51526653e-09 4.99382469e-10] [-3.33272827e-10 1.51526653e-09 -4.99382469e-10] [ 3.33272827e-10 1.51526653e-09 4.99382469e-10] [ 3.33272827e-10 -1.51526653e-09 4.99382469e-10] [-3.33272827e-10 -1.51526653e-09 -4.99382469e-10] [ 3.33272827e-10 -1.51526653e-09 4.99382469e-10] [-3.33272827e-10 -1.51526653e-09 -4.99382469e-10] [ 2.96568302e-09 1.95737065e-09 3.12348801e-09] [-2.96568302e-09 1.95737065e-09 -3.12348801e-09] [ 2.96568302e-09 1.95737065e-09 3.12348801e-09] [-2.96568302e-09 1.95737065e-09 -3.12348801e-09] [-2.96568302e-09 -1.95737065e-09 -3.12348801e-09] [ 2.96568302e-09 -1.95737065e-09 3.12348801e-09] [-2.96568302e-09 -1.95737065e-09 -3.12348801e-09] [ 2.96568302e-09 -1.95737065e-09 3.12348801e-09] [-4.65302315e-09 -3.20413525e-09 -4.14485416e-09] [ 4.65302315e-09 -3.20413525e-09 4.14485416e-09] [-4.65302315e-09 -3.20413525e-09 -4.14485416e-09] [ 4.65302315e-09 -3.20413525e-09 4.14485416e-09] [ 4.65302315e-09 3.20413525e-09 4.14485416e-09] [-4.65302315e-09 3.20413525e-09 -4.14485416e-09] [ 4.65302315e-09 3.20413525e-09 4.14485416e-09] [-4.65302315e-09 3.20413525e-09 -4.14485416e-09] [ 4.81320732e-09 2.80098652e-09 1.21315683e-10] [-4.81320732e-09 2.80098652e-09 -1.21315683e-10] [ 4.81320732e-09 2.80098652e-09 1.21315683e-10] [-4.81320732e-09 2.80098652e-09 -1.21315683e-10] [-4.81320732e-09 -2.80098652e-09 -1.21315683e-10] [ 4.81320732e-09 -2.80098652e-09 1.21315683e-10] [-4.81320732e-09 -2.80098652e-09 -1.21315683e-10] [ 4.81320732e-09 -2.80098652e-09 1.21315683e-10] [-5.65290272e-09 4.28537607e-09 -6.81499494e-10] [ 5.65290272e-09 4.28537607e-09 6.81499494e-10] [-5.65290272e-09 4.28537607e-09 -6.81499494e-10] [ 5.65290272e-09 4.28537607e-09 6.81499494e-10] [ 5.65290272e-09 -4.28537607e-09 6.81499494e-10] [-5.65290272e-09 -4.28537607e-09 -6.81499494e-10] [ 5.65290272e-09 -4.28537607e-09 6.81499494e-10] [-5.65290272e-09 -4.28537607e-09 -6.81499494e-10] [ 2.42715054e-09 -1.37245234e-09 -5.10578645e-09] [-2.42715054e-09 -1.37245234e-09 5.10578645e-09] [ 2.42715054e-09 -1.37245234e-09 -5.10578645e-09] [-2.42715054e-09 -1.37245234e-09 5.10578645e-09] [-2.42715054e-09 1.37245234e-09 5.10578645e-09] [ 2.42715054e-09 1.37245234e-09 -5.10578645e-09] [-2.42715054e-09 1.37245234e-09 5.10578645e-09] [ 2.42715054e-09 1.37245234e-09 -5.10578645e-09] [ 4.22946816e-09 2.65734056e-09 -1.61059483e-09] [-4.22946816e-09 2.65734056e-09 1.61059483e-09] [ 4.22946816e-09 2.65734056e-09 -1.61059483e-09] [-4.22946816e-09 2.65734056e-09 1.61059483e-09] [-4.22946816e-09 -2.65734056e-09 1.61059483e-09] [ 4.22946816e-09 -2.65734056e-09 -1.61059483e-09] [-4.22946816e-09 -2.65734056e-09 1.61059483e-09] [ 4.22946816e-09 -2.65734056e-09 -1.61059483e-09] [-3.57462927e-09 -1.08097143e-09 -2.82280857e-09] [ 3.57462927e-09 -1.08097143e-09 2.82280857e-09] [-3.57462927e-09 -1.08097143e-09 -2.82280857e-09] [ 3.57462927e-09 -1.08097143e-09 2.82280857e-09] [ 3.57462927e-09 1.08097143e-09 2.82280857e-09] [-3.57462927e-09 1.08097143e-09 -2.82280857e-09] [ 3.57462927e-09 1.08097143e-09 2.82280857e-09] [-3.57462927e-09 1.08097143e-09 -2.82280857e-09] [-5.02771992e-09 -1.79483711e-09 5.20686672e-10] [ 5.02771992e-09 -1.79483711e-09 -5.20686672e-10] [-5.02771992e-09 -1.79483711e-09 5.20686672e-10] [ 5.02771992e-09 -1.79483711e-09 -5.20686672e-10] [ 5.02771992e-09 1.79483711e-09 -5.20686672e-10] [-5.02771992e-09 1.79483711e-09 5.20686672e-10] [ 5.02771992e-09 1.79483711e-09 -5.20686672e-10] [-5.02771992e-09 1.79483711e-09 5.20686672e-10] [-3.96277241e-09 -3.29559830e-09 3.96005885e-09] [ 3.96277241e-09 -3.29559830e-09 -3.96005885e-09] [-3.96277241e-09 -3.29559830e-09 3.96005885e-09] [ 3.96277241e-09 -3.29559830e-09 -3.96005885e-09] [ 3.96277241e-09 3.29559830e-09 -3.96005885e-09] [-3.96277241e-09 3.29559830e-09 3.96005885e-09] [ 3.96277241e-09 3.29559830e-09 -3.96005885e-09] [-3.96277241e-09 3.29559830e-09 3.96005885e-09] [-8.15040604e-10 4.22398018e-09 -4.06328463e-09] [ 8.15040604e-10 4.22398018e-09 4.06328463e-09] [-8.15040604e-10 4.22398018e-09 -4.06328463e-09] [ 8.15040604e-10 4.22398018e-09 4.06328463e-09] [ 8.15040604e-10 -4.22398018e-09 4.06328463e-09] [-8.15040604e-10 -4.22398018e-09 -4.06328463e-09] [ 8.15040604e-10 -4.22398018e-09 4.06328463e-09] [-8.15040604e-10 -4.22398018e-09 -4.06328463e-09] [-1.04519430e-08 4.62017339e-09 6.97804851e-09] [ 1.04519430e-08 4.62017339e-09 -6.97804851e-09] [-1.04519430e-08 4.62017339e-09 6.97804851e-09] [ 1.04519430e-08 4.62017339e-09 -6.97804851e-09] [ 1.04519430e-08 -4.62017339e-09 -6.97804851e-09] [-1.04519430e-08 -4.62017339e-09 6.97804851e-09] [ 1.04519430e-08 -4.62017339e-09 -6.97804851e-09] [-1.04519430e-08 -4.62017339e-09 6.97804851e-09]] stress = [ 3.63167760e-10 -2.56449698e-11 9.27950850e-11 -9.90038375e-29 -1.84546033e-10 2.03072575e-28] energy per atom = -28.344302691404074 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0