element(s): ['O', 'Si'] AFLOW prototype label: A2B_mC96_12_g3i6j_4j Parameter names: ['a', 'b/a', 'c/a', 'beta', 'y1', 'x2', 'z2', 'x3', 'z3', 'x4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11', 'x12', 'y12', 'z12', 'x13', 'y13', 'z13', 'x14', 'y14', 'z14'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['18.8405', '0.72639261', '0.41057828', '78.437', '0.37265757', '0.5328172', '0.23191263', '0.34443548', '0.45729557', '0.7751963', '0.85427212', '0.43712543', '0.85701395', '0.33642078', '0.57549791', '0.81489625', '0.23453146', '0.32022452', '0.82043186', '0.5795566', '0.70982395', '0.86790756', '0.080947295', '0.30775191', '0.86123763', '0.25043833', '0.3202905', '0.31728785', '0.82179489', '0.51139157', '0.88646785', '0.2002996', '0.3520987', '0.88485661', '0.40507633', '0.7492024', '0.88674477', '0.87640084', '0.66119978', '0.79683108', '0.22773678'] 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', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0. 0.37265757 0. ] [0.4671828 0. 0.76808737] [0.65556452 0. 0.54270443] [0.2248037 0. 0.14572788] [0.56287457 0.85701395 0.66357922] [0.42450209 0.81489625 0.76546854] [0.67977548 0.82043186 0.4204434 ] [0.29017605 0.86790756 0.91905271] [0.69224809 0.86123763 0.74956167] [0.6797095 0.31728785 0.17820511] [0.48860843 0.88646785 0.7997004 ] [0.6479013 0.88485661 0.59492367] [0.2507976 0.88674477 0.12359916] [0.33880022 0.79683108 0.77226322]] spacegroup = 12 cell = [[18.8405, 0, 0], [0, 13.6856, 0], [1.550544596244, 0, 7.5785072214163]] ========================================= Step Time Energy fmax BFGS: 0 21:51:21 -410.100407 22.4062 BFGS: 1 21:51:21 -458.266208 20.8810 BFGS: 2 21:51:21 -500.328200 17.8371 BFGS: 3 21:51:21 -526.214666 15.9778 BFGS: 4 21:51:21 -551.093530 13.2698 BFGS: 5 21:51:22 -574.194697 12.6248 BFGS: 6 21:51:22 -590.135824 11.4309 BFGS: 7 21:51:23 -602.697113 8.6859 BFGS: 8 21:51:23 -613.651924 8.5841 BFGS: 9 21:51:24 -622.112205 6.5801 BFGS: 10 21:51:24 -628.672782 4.8186 BFGS: 11 21:51:26 -634.299902 3.8180 BFGS: 12 21:51:26 -638.198096 2.7379 BFGS: 13 21:51:27 -641.013659 3.2493 BFGS: 14 21:51:28 -643.063411 3.9786 BFGS: 15 21:51:29 -644.832293 4.4720 BFGS: 16 21:51:30 -646.629298 4.8207 BFGS: 17 21:51:30 -648.488240 5.0383 BFGS: 18 21:51:31 -650.389820 5.1558 BFGS: 19 21:51:32 -652.320420 5.3475 BFGS: 20 21:51:32 -654.295534 5.5360 BFGS: 21 21:51:33 -656.330208 6.0728 BFGS: 22 21:51:34 -658.423096 7.2925 BFGS: 23 21:51:34 -660.566546 8.5021 BFGS: 24 21:51:35 -662.751074 9.7184 BFGS: 25 21:51:35 -664.967653 10.9480 BFGS: 26 21:51:36 -667.211494 12.1999 BFGS: 27 21:51:38 -669.475694 13.4848 BFGS: 28 21:51:39 -671.759442 14.8255 BFGS: 29 21:51:40 -674.061718 16.2592 BFGS: 30 21:51:41 -676.384748 17.8121 BFGS: 31 21:51:42 -678.728393 19.5238 BFGS: 32 21:51:43 -681.089496 21.4072 BFGS: 33 21:51:44 -683.463519 23.4476 BFGS: 34 21:51:45 -685.846935 25.5800 BFGS: 35 21:51:46 -688.238672 27.6713 BFGS: 36 21:51:47 -690.626000 29.6156 BFGS: 37 21:51:47 -693.033236 31.0978 BFGS: 38 21:51:48 -695.452398 32.4572 BFGS: 39 21:51:49 -697.936245 33.0850 BFGS: 40 21:51:49 -700.423130 34.2410 BFGS: 41 21:51:50 -702.976214 34.7868 BFGS: 42 21:51:51 -705.544290 35.5241 BFGS: 43 21:51:52 -708.103052 36.4076 BFGS: 44 21:51:54 -710.658781 37.5232 BFGS: 45 21:51:55 -713.207685 38.9054 BFGS: 46 21:51:55 -715.744567 40.7026 BFGS: 47 21:51:56 -718.230192 43.1106 BFGS: 48 21:51:57 -720.712803 46.2277 BFGS: 49 21:51:58 -723.943862 47.4464 BFGS: 50 21:51:59 -727.242681 49.0022 BFGS: 51 21:52:01 -730.596785 50.3175 BFGS: 52 21:52:02 -734.010164 51.6728 BFGS: 53 21:52:03 -737.412174 53.0899 BFGS: 54 21:52:05 -740.640153 54.5659 BFGS: 55 21:52:07 -743.936582 56.1453 BFGS: 56 21:52:08 -747.249781 57.6175 BFGS: 57 21:52:11 -750.607022 59.1465 BFGS: 58 21:52:12 -753.956220 60.7476 BFGS: 59 21:52:14 -757.308070 62.4020 BFGS: 60 21:52:15 -760.767219 63.9641 BFGS: 61 21:52:17 -764.417194 65.6049 BFGS: 62 21:52:18 -768.744215 66.1364 BFGS: 63 21:52:18 -773.069959 66.0946 BFGS: 64 21:52:19 -778.639760 65.1863 BFGS: 65 21:52:20 -784.741722 63.3511 BFGS: 66 21:52:20 -790.890466 61.8228 BFGS: 67 21:52:22 -797.020860 60.5006 BFGS: 68 21:52:23 -803.046893 59.3725 BFGS: 69 21:52:24 -808.927732 58.5054 BFGS: 70 21:52:25 -814.672807 57.7483 BFGS: 71 21:52:27 -820.262987 57.1161 BFGS: 72 21:52:28 -825.686080 56.5544 BFGS: 73 21:52:29 -830.917320 56.2277 BFGS: 74 21:52:32 -836.043916 56.0303 BFGS: 75 21:52:33 -841.101392 56.0068 BFGS: 76 21:52:35 -846.133904 56.0921 BFGS: 77 21:52:38 -851.132756 56.3051 BFGS: 78 21:52:38 -856.111081 56.5700 BFGS: 79 21:52:39 -861.148548 56.7512 BFGS: 80 21:52:40 -866.356737 56.4382 BFGS: 81 21:52:41 -871.106903 56.7402 BFGS: 82 21:52:43 -876.104373 56.9030 BFGS: 83 21:52:44 -881.075383 56.7536 BFGS: 84 21:52:45 -886.057303 56.8799 BFGS: 85 21:52:46 -891.164678 56.5948 BFGS: 86 21:52:47 -896.511640 56.3279 BFGS: 87 21:52:48 -902.177751 55.6823 BFGS: 88 21:52:50 -907.699251 55.2634 BFGS: 89 21:52:52 -913.234528 54.7823 BFGS: 90 21:52:53 -918.716991 54.0567 BFGS: 91 21:52:54 -924.051753 53.4995 BFGS: 92 21:52:56 -929.668205 52.2610 BFGS: 93 21:52:57 -934.956565 51.3993 BFGS: 94 21:52:58 -940.259297 50.1419 BFGS: 95 21:52:59 -945.325988 49.8117 BFGS: 96 21:53:00 -950.109799 49.0041 BFGS: 97 21:53:01 -955.309004 47.9435 BFGS: 98 21:53:03 -960.736143 50.7770 BFGS: 99 21:53:04 -966.292885 54.0878 BFGS: 100 21:53:06 -971.993573 57.7556 BFGS: 101 21:53:09 -977.796165 61.1955 BFGS: 102 21:53:10 -983.642897 64.5099 BFGS: 103 21:53:12 -989.498969 67.9037 BFGS: 104 21:53:14 -995.346062 71.2087 BFGS: 105 21:53:16 -1001.190991 74.5623 BFGS: 106 21:53:17 -1007.044877 77.6321 BFGS: 107 21:53:18 -1012.932589 80.8931 BFGS: 108 21:53:19 -1018.864575 83.3059 BFGS: 109 21:53:20 -1024.853837 86.6327 BFGS: 110 21:53:22 -1030.892435 88.0059 BFGS: 111 21:53:24 -1037.014649 90.6951 BFGS: 112 21:53:25 -1043.236673 91.2613 BFGS: 113 21:53:26 -1049.641075 91.3565 BFGS: 114 21:53:28 -1056.066242 90.8860 BFGS: 115 21:53:29 -1062.658699 87.4947 BFGS: 116 21:53:31 -1069.317382 82.7671 BFGS: 117 21:53:32 -1075.869354 80.8982 BFGS: 118 21:53:32 -1082.570328 72.4965 BFGS: 119 21:53:34 -1088.536646 68.5905 BFGS: 120 21:53:35 -1094.229090 63.8351 BFGS: 121 21:53:36 -1099.549079 59.1738 BFGS: 122 21:53:37 -1104.581661 55.4216 BFGS: 123 21:53:38 -1109.420790 52.3138 BFGS: 124 21:53:39 -1114.096685 50.6899 BFGS: 125 21:53:40 -1118.661713 48.8247 BFGS: 126 21:53:41 -1123.157279 47.1715 BFGS: 127 21:53:42 -1127.584865 45.4526 BFGS: 128 21:53:44 -1131.992611 43.8011 BFGS: 129 21:53:46 -1136.366422 42.1655 BFGS: 130 21:53:48 -1140.750412 40.5899 BFGS: 131 21:53:49 -1145.123149 39.0452 BFGS: 132 21:53:50 -1149.520013 37.5602 BFGS: 133 21:53:50 -1153.915354 36.1163 BFGS: 134 21:53:51 -1158.329390 34.7258 BFGS: 135 21:53:52 -1162.737481 33.3858 BFGS: 136 21:53:53 -1167.156264 32.1014 BFGS: 137 21:53:53 -1171.553981 30.8855 BFGS: 138 21:53:54 -1175.958393 29.7242 BFGS: 139 21:53:56 -1180.317769 28.6516 BFGS: 140 21:53:58 -1184.688069 27.6348 BFGS: 141 21:54:00 -1188.981942 27.6350 BFGS: 142 21:54:03 -1193.278429 27.8235 BFGS: 143 21:54:05 -1197.489184 28.1165 BFGS: 144 21:54:05 -1201.646877 28.2948 BFGS: 145 21:54:06 -1205.720735 28.4237 BFGS: 146 21:54:08 -1209.675727 28.3402 BFGS: 147 21:54:12 -1213.532959 28.0711 BFGS: 148 21:54:15 -1217.222403 27.4996 BFGS: 149 21:54:17 -1220.815577 26.7239 BFGS: 150 21:54:17 -1224.230850 25.6765 BFGS: 151 21:54:19 -1227.577989 24.5531 BFGS: 152 21:54:20 -1230.772325 23.2903 BFGS: 153 21:54:22 -1233.924197 22.2750 BFGS: 154 21:54:23 -1236.965513 21.6985 BFGS: 155 21:54:25 -1239.974023 21.1380 BFGS: 156 21:54:27 -1242.923383 20.5465 BFGS: 157 21:54:28 -1245.834263 20.0077 BFGS: 158 21:54:29 -1248.734971 19.4272 BFGS: 159 21:54:30 -1251.597334 18.9085 BFGS: 160 21:54:31 -1254.474693 18.3655 BFGS: 161 21:54:32 -1257.337031 17.8559 BFGS: 162 21:54:33 -1260.217416 17.3462 BFGS: 163 21:54:33 -1263.102325 16.8478 BFGS: 164 21:54:34 -1266.004611 16.3785 BFGS: 165 21:54:35 -1268.916963 16.0661 BFGS: 166 21:54:35 -1271.838638 15.7602 BFGS: 167 21:54:36 -1274.767018 15.4645 BFGS: 168 21:54:36 -1277.696396 15.1757 BFGS: 169 21:54:37 -1280.624092 14.8987 BFGS: 170 21:54:38 -1283.542331 14.6262 BFGS: 171 21:54:38 -1286.443123 14.3694 BFGS: 172 21:54:39 -1289.317743 14.1168 BFGS: 173 21:54:40 -1292.159742 13.8798 BFGS: 174 21:54:41 -1294.961037 13.6475 BFGS: 175 21:54:42 -1297.720856 13.4312 BFGS: 176 21:54:42 -1300.436796 13.2165 BFGS: 177 21:54:44 -1303.115641 13.0179 BFGS: 178 21:54:45 -1305.762035 12.9729 BFGS: 179 21:54:45 -1308.387875 13.5744 BFGS: 180 21:54:46 -1311.000680 14.2354 BFGS: 181 21:54:47 -1313.612691 14.8826 BFGS: 182 21:54:48 -1316.225687 15.5766 BFGS: 183 21:54:49 -1318.843395 16.2848 BFGS: 184 21:54:51 -1321.462733 17.0254 BFGS: 185 21:54:51 -1324.083810 17.7811 BFGS: 186 21:54:54 -1326.705850 18.5615 BFGS: 187 21:54:56 -1329.327817 19.3609 BFGS: 188 21:54:58 -1331.946976 20.1914 BFGS: 189 21:55:00 -1334.562330 21.0028 BFGS: 190 21:55:01 -1337.165778 21.8656 BFGS: 191 21:55:02 -1339.757938 22.6649 BFGS: 192 21:55:03 -1342.325905 23.5235 BFGS: 193 21:55:03 -1344.869155 24.2580 BFGS: 194 21:55:04 -1347.371700 25.0582 BFGS: 195 21:55:05 -1349.835577 25.6183 BFGS: 196 21:55:06 -1352.243087 26.2893 BFGS: 197 21:55:07 -1354.603652 26.5594 BFGS: 198 21:55:09 -1356.900387 27.0543 BFGS: 199 21:55:10 -1359.149458 26.9740 BFGS: 200 21:55:11 -1361.334314 27.3016 BFGS: 201 21:55:12 -1363.476450 26.9077 BFGS: 202 21:55:14 -1365.563056 27.0888 BFGS: 203 21:55:15 -1367.611958 26.5184 BFGS: 204 21:55:16 -1369.617449 26.5316 BFGS: 205 21:55:16 -1371.586814 25.9366 BFGS: 206 21:55:17 -1373.526994 25.7832 BFGS: 207 21:55:18 -1375.427987 25.2497 BFGS: 208 21:55:18 -1377.307837 24.9553 BFGS: 209 21:55:19 -1379.143291 24.5272 BFGS: 210 21:55:20 -1380.958676 24.1454 BFGS: 211 21:55:20 -1382.729851 23.7961 BFGS: 212 21:55:21 -1384.472747 23.4016 BFGS: 213 21:55:21 -1386.174287 23.0914 BFGS: 214 21:55:21 -1387.841864 22.7219 BFGS: 215 21:55:22 -1389.469609 22.4248 BFGS: 216 21:55:22 -1391.060166 22.0928 BFGS: 217 21:55:23 -1392.612985 21.8051 BFGS: 218 21:55:25 -1394.127413 21.4918 BFGS: 219 21:55:26 -1395.605061 21.2133 BFGS: 220 21:55:27 -1397.045104 20.9215 BFGS: 221 21:55:28 -1398.447958 20.6446 BFGS: 222 21:55:29 -1399.812103 20.3548 BFGS: 223 21:55:29 -1401.139612 20.0827 BFGS: 224 21:55:30 -1402.428022 19.7919 BFGS: 225 21:55:30 -1403.681089 19.5245 BFGS: 226 21:55:31 -1404.896810 19.2378 BFGS: 227 21:55:32 -1406.080075 18.9786 BFGS: 228 21:55:32 -1407.228013 18.6983 BFGS: 229 21:55:34 -1408.347230 18.4554 BFGS: 230 21:55:36 -1409.435416 18.1904 BFGS: 231 21:55:40 -1410.499783 17.9689 BFGS: 232 21:55:42 -1411.537693 17.7292 BFGS: 233 21:55:43 -1412.557053 17.5340 BFGS: 234 21:55:44 -1413.555001 17.3218 BFGS: 235 21:55:44 -1414.538825 17.1547 BFGS: 236 21:55:45 -1415.504450 16.9743 BFGS: 237 21:55:46 -1416.460004 16.8297 BFGS: 238 21:55:47 -1417.401339 16.6817 BFGS: 239 21:55:48 -1418.335224 16.5600 BFGS: 240 21:55:49 -1419.257890 16.4399 BFGS: 241 21:55:50 -1420.174695 16.3342 BFGS: 242 21:55:52 -1421.084309 16.2358 BFGS: 243 21:55:52 -1421.989390 16.1445 BFGS: 244 21:55:54 -1422.889283 16.0609 BFGS: 245 21:55:55 -1423.785492 15.9802 BFGS: 246 21:55:55 -1424.677655 15.9050 BFGS: 247 21:55:56 -1425.566484 15.8296 BFGS: 248 21:55:57 -1426.451295 15.7565 BFGS: 249 21:55:57 -1427.332071 15.6797 BFGS: 250 21:55:59 -1428.208194 15.6010 BFGS: 251 21:55:59 -1429.078439 15.5149 BFGS: 252 21:56:00 -1429.940123 15.6789 BFGS: 253 21:56:00 -1430.785502 15.8597 BFGS: 254 21:56:01 -1431.652175 16.0296 BFGS: 255 21:56:02 -1432.535252 16.1872 BFGS: 256 21:56:04 -1433.491977 16.4150 BFGS: 257 21:56:05 -1434.422399 16.6233 BFGS: 258 21:56:06 -1435.347755 16.8322 BFGS: 259 21:56:07 -1436.268719 17.0459 BFGS: 260 21:56:10 -1437.185739 17.2585 BFGS: 261 21:56:11 -1438.097827 17.4756 BFGS: 262 21:56:12 -1439.005332 17.6893 BFGS: 263 21:56:14 -1439.906205 17.9058 BFGS: 264 21:56:16 -1440.801221 18.1167 BFGS: 265 21:56:17 -1441.687165 18.3307 BFGS: 266 21:56:17 -1442.566755 18.5366 BFGS: 267 21:56:18 -1443.434841 18.7491 BFGS: 268 21:56:19 -1444.296421 18.9485 BFGS: 269 21:56:20 -1445.142769 19.1622 BFGS: 270 21:56:21 -1445.982702 19.3532 BFGS: 271 21:56:23 -1446.805524 19.5588 BFGS: 272 21:56:24 -1447.620473 19.7462 BFGS: 273 21:56:25 -1448.418877 19.9427 BFGS: 274 21:56:25 -1449.207328 20.1262 BFGS: 275 21:56:26 -1449.980666 20.3145 BFGS: 276 21:56:26 -1450.742634 20.4950 BFGS: 277 21:56:27 -1451.490925 20.6782 BFGS: 278 21:56:27 -1452.227711 20.8549 BFGS: 279 21:56:27 -1452.952224 21.0314 BFGS: 280 21:56:28 -1453.665747 21.2043 BFGS: 281 21:56:29 -1454.368666 21.3767 BFGS: 282 21:56:30 -1455.061238 21.5454 BFGS: 283 21:56:30 -1455.745011 21.7147 BFGS: 284 21:56:31 -1456.419358 21.8789 BFGS: 285 21:56:31 -1457.086686 22.0469 BFGS: 286 21:56:32 -1457.745303 22.2066 BFGS: 287 21:56:34 -1458.398631 22.3737 BFGS: 288 21:56:35 -1459.043950 22.5275 BFGS: 289 21:56:36 -1459.685982 22.6969 BFGS: 290 21:56:36 -1460.320449 22.8422 BFGS: 291 21:56:37 -1460.952644 23.0119 BFGS: 292 21:56:37 -1461.578315 23.1527 BFGS: 293 21:56:38 -1462.201976 23.3181 BFGS: 294 21:56:39 -1462.820845 23.4583 BFGS: 295 21:56:41 -1463.437460 23.6153 BFGS: 296 21:56:43 -1464.051221 23.7550 BFGS: 297 21:56:43 -1464.662361 23.9048 BFGS: 298 21:56:44 -1465.271463 24.0415 BFGS: 299 21:56:46 -1465.878113 24.1837 BFGS: 300 21:56:46 -1466.483149 24.3160 BFGS: 301 21:56:48 -1467.086030 24.4502 BFGS: 302 21:56:49 -1467.687352 24.5756 BFGS: 303 21:56:49 -1468.286603 24.7010 BFGS: 304 21:56:49 -1468.884343 24.8193 BFGS: 305 21:56:50 -1469.480198 24.9348 BFGS: 306 21:56:51 -1470.074308 25.0435 BFGS: 307 21:56:52 -1470.666587 25.1480 BFGS: 308 21:56:53 -1471.256934 25.2456 BFGS: 309 21:56:54 -1471.845573 25.3378 BFGS: 310 21:56:54 -1472.431496 25.4214 BFGS: 311 21:56:54 -1473.015768 25.5011 BFGS: 312 21:56:54 -1473.597266 25.5691 BFGS: 313 21:56:54 -1474.176631 25.6342 BFGS: 314 21:56:55 -1474.752885 25.6891 BFGS: 315 21:56:57 -1475.326862 25.7375 BFGS: 316 21:56:58 -1475.897775 25.7782 BFGS: 317 21:56:59 -1476.466635 25.8111 BFGS: 318 21:57:01 -1477.032222 25.8380 BFGS: 319 21:57:03 -1477.595460 25.8498 BFGS: 320 21:57:04 -1478.155507 25.8656 BFGS: 321 21:57:04 -1478.713232 25.8606 BFGS: 322 21:57:06 -1479.268242 25.8674 BFGS: 323 21:57:07 -1479.820600 25.8370 BFGS: 324 21:57:09 -1480.370844 25.8408 BFGS: 325 21:57:11 -1480.917298 25.7913 BFGS: 326 21:57:13 -1481.462730 25.7872 BFGS: 327 21:57:14 -1482.004623 25.7272 BFGS: 328 21:57:14 -1482.546010 25.7052 BFGS: 329 21:57:15 -1483.084359 25.6431 BFGS: 330 21:57:16 -1483.622185 25.6029 BFGS: 331 21:57:17 -1484.157703 25.5383 BFGS: 332 21:57:17 -1484.692666 25.4843 BFGS: 333 21:57:17 -1485.225948 25.4160 BFGS: 334 21:57:18 -1485.758611 25.3518 BFGS: 335 21:57:18 -1486.290032 25.2782 BFGS: 336 21:57:19 -1486.820902 25.2065 BFGS: 337 21:57:20 -1487.350895 25.1281 BFGS: 338 21:57:21 -1487.880300 25.0502 BFGS: 339 21:57:22 -1488.408796 24.9673 BFGS: 340 21:57:24 -1488.936911 24.8852 BFGS: 341 21:57:24 -1489.464644 24.7990 BFGS: 342 21:57:26 -1489.992056 24.7126 BFGS: 343 21:57:27 -1490.519354 24.6232 BFGS: 344 21:57:29 -1491.046184 24.5323 BFGS: 345 21:57:30 -1491.572693 24.4401 BFGS: 346 21:57:31 -1492.099143 24.3477 BFGS: 347 21:57:32 -1492.625377 24.2532 BFGS: 348 21:57:33 -1493.151617 24.1584 BFGS: 349 21:57:33 -1493.677753 24.0615 BFGS: 350 21:57:34 -1494.203877 23.9643 BFGS: 351 21:57:35 -1494.730249 23.8618 BFGS: 352 21:57:36 -1495.256503 23.7642 BFGS: 353 21:57:37 -1495.782823 23.6609 BFGS: 354 21:57:37 -1496.308417 23.5596 BFGS: 355 21:57:38 -1496.834030 23.4567 BFGS: 356 21:57:39 -1497.359593 23.3545 BFGS: 357 21:57:39 -1497.885044 23.3684 BFGS: 358 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-1964.825466 31.6155 BFGS: 1057 22:11:48 -1965.166242 31.5895 BFGS: 1058 22:11:49 -1965.507179 31.5600 BFGS: 1059 22:11:50 -1965.845968 31.5326 BFGS: 1060 22:11:52 -1966.185912 31.4998 BFGS: 1061 22:11:53 -1966.523316 31.4750 BFGS: 1062 22:11:54 -1966.862349 31.4402 BFGS: 1063 22:11:55 -1967.198028 31.4135 BFGS: 1064 22:11:56 -1967.535946 31.3769 BFGS: 1065 22:11:57 -1967.870474 31.3499 BFGS: 1066 22:12:00 -1968.206336 31.3161 BFGS: 1067 22:12:01 -1968.540908 31.2835 BFGS: 1068 22:12:02 -1968.875381 31.2492 BFGS: 1069 22:12:03 -1969.208756 31.2156 BFGS: 1070 22:12:04 -1969.542063 31.1800 BFGS: 1071 22:12:04 -1969.874320 31.1453 BFGS: 1072 22:12:07 -1970.206537 31.1085 BFGS: 1073 22:12:07 -1970.537720 31.0728 BFGS: 1074 22:12:08 -1970.868904 31.0347 BFGS: 1075 22:12:10 -1971.199137 30.9980 BFGS: 1076 22:12:12 -1971.527386 30.9598 BFGS: 1077 22:12:13 -1971.858105 30.9172 BFGS: 1078 22:12:14 -1972.186006 30.8828 BFGS: 1079 22:12:15 -1972.514899 30.8392 BFGS: 1080 22:12:15 -1972.842598 30.8014 BFGS: 1081 22:12:16 -1973.170362 30.7601 BFGS: 1082 22:12:17 -1973.497431 30.7209 BFGS: 1083 22:12:18 -1973.824289 30.6788 BFGS: 1084 22:12:19 -1974.150142 30.6393 BFGS: 1085 22:12:20 -1974.476652 30.5956 BFGS: 1086 22:12:21 -1974.801784 30.5543 BFGS: 1087 22:12:23 -1975.126962 30.5127 BFGS: 1088 22:12:25 -1975.451729 30.4687 BFGS: 1089 22:12:26 -1975.776092 30.4243 BFGS: 1090 22:12:27 -1976.099520 30.3808 BFGS: 1091 22:12:28 -1976.423251 30.3345 BFGS: 1092 22:12:29 -1976.746011 30.2897 BFGS: 1093 22:12:30 -1977.069058 30.2422 BFGS: 1094 22:12:31 -1977.390874 30.1968 BFGS: 1095 22:12:32 -1977.713482 30.1470 BFGS: 1096 22:12:33 -1978.034626 30.1007 BFGS: 1097 22:12:35 -1978.356499 30.0500 BFGS: 1098 22:12:36 -1978.676969 30.0025 BFGS: 1099 22:12:37 -1978.998102 29.9509 BFGS: 1100 22:12:38 -1979.317909 29.9021 BFGS: 1101 22:12:39 -1979.638305 29.8496 BFGS: 1102 22:12:39 -1979.957536 29.7996 BFGS: 1103 22:12:41 -1980.276719 29.7464 BFGS: 1104 22:12:41 -1980.595397 29.6949 BFGS: 1105 22:12:43 -1980.914187 29.6407 BFGS: 1106 22:12:43 -1981.232300 29.5882 BFGS: 1107 22:12:45 -1981.549731 29.5337 BFGS: 1108 22:12:46 -1981.867722 29.4785 BFGS: 1109 22:12:46 -1982.184430 29.4249 BFGS: 1110 22:12:47 -1982.501971 29.3684 BFGS: 1111 22:12:48 -1982.817936 29.3146 BFGS: 1112 22:12:49 -1983.134922 29.2589 BFGS: 1113 22:12:49 -1983.449746 29.2031 BFGS: 1114 22:12:49 -1983.766004 29.1410 BFGS: 1115 22:12:51 -1984.080739 29.0863 BFGS: 1116 22:12:52 -1984.396223 29.0262 BFGS: 1117 22:12:53 -1984.710326 28.9701 BFGS: 1118 22:12:53 -1985.024526 28.9106 BFGS: 1119 22:12:55 -1985.338710 28.8500 BFGS: 1120 22:12:56 -1985.652282 28.7903 BFGS: 1121 22:12:58 -1985.965810 28.7293 BFGS: 1122 22:13:01 -1986.278506 28.6683 BFGS: 1123 22:13:02 -1986.590896 28.6051 BFGS: 1124 22:13:03 -1986.903080 28.5427 BFGS: 1125 22:13:04 -1987.214916 28.4802 BFGS: 1126 22:13:05 -1987.526457 28.4172 BFGS: 1127 22:13:06 -1987.837620 28.3538 BFGS: 1128 22:13:07 -1988.148463 28.2898 BFGS: 1129 22:13:09 -1988.458913 28.2254 BFGS: 1130 22:13:10 -1988.769026 28.1604 BFGS: 1131 22:13:11 -1989.078770 28.0949 BFGS: 1132 22:13:13 -1989.388095 28.0290 BFGS: 1133 22:13:14 -1989.697040 27.9632 BFGS: 1134 22:13:14 -1990.005490 27.8969 BFGS: 1135 22:13:15 -1990.313705 27.8335 BFGS: 1136 22:13:15 -1990.620945 27.7650 BFGS: 1137 22:13:17 -1990.928486 27.6955 BFGS: 1138 22:13:19 -1991.234969 27.6275 BFGS: 1139 22:13:20 -1991.541746 27.5569 BFGS: 1140 22:13:21 -1991.847235 27.4883 BFGS: 1141 22:13:21 -1992.153162 27.4178 BFGS: 1142 22:13:22 -1992.457901 27.3481 BFGS: 1143 22:13:24 -1992.762825 27.2756 BFGS: 1144 22:13:25 -1993.066895 27.2045 BFGS: 1145 22:13:27 -1993.370672 27.1328 BFGS: 1146 22:13:28 -1993.674281 27.0588 BFGS: 1147 22:13:28 -1993.977042 26.9865 BFGS: 1148 22:13:29 -1994.279444 26.9130 BFGS: 1149 22:13:30 -1994.581408 26.8386 BFGS: 1150 22:13:32 -1994.882920 26.7646 BFGS: 1151 22:13:33 -1995.183928 26.6899 BFGS: 1152 22:13:34 -1995.484463 26.6150 BFGS: 1153 22:13:35 -1995.784470 26.5396 BFGS: 1154 22:13:37 -1996.083991 26.4637 BFGS: 1155 22:13:40 -1996.383012 26.3875 BFGS: 1156 22:13:40 -1996.680985 26.3103 BFGS: 1157 22:13:41 -1996.979082 26.2314 BFGS: 1158 22:13:43 -1997.276060 26.1558 BFGS: 1159 22:13:43 -1997.573179 26.0765 BFGS: 1160 22:13:44 -1997.869131 25.9997 BFGS: 1161 22:13:44 -1998.165130 25.9201 BFGS: 1162 22:13:45 -1998.459982 25.8399 BFGS: 1163 22:13:45 -1998.754690 25.7592 BFGS: 1164 22:13:46 -1999.048119 25.7500 BFGS: 1165 22:13:48 -1999.341722 25.7395 BFGS: 1166 22:13:48 -1999.634124 25.7563 BFGS: 1167 22:13:49 -1999.926501 25.7454 BFGS: 1168 22:13:50 -2000.217840 25.7595 BFGS: 1169 22:13:51 -2000.508901 25.7540 BFGS: 1170 22:13:52 -2000.799070 25.7592 BFGS: 1171 22:13:54 -2001.088839 25.7532 BFGS: 1172 22:13:55 -2001.377837 25.7572 BFGS: 1173 22:13:56 -2001.666277 25.7546 BFGS: 1174 22:13:57 -2001.954076 25.7528 BFGS: 1175 22:13:58 -2002.241336 25.7489 BFGS: 1176 22:13:59 -2002.527619 25.7529 BFGS: 1177 22:14:00 -2002.813504 25.7395 BFGS: 1178 22:14:01 -2003.098664 25.7409 BFGS: 1179 22:14:02 -2003.383315 25.7288 BFGS: 1180 22:14:03 -2003.667226 25.7285 BFGS: 1181 22:14:05 -2003.950574 25.7161 BFGS: 1182 22:14:06 -2004.233120 25.7148 BFGS: 1183 22:14:07 -2004.515168 25.7010 BFGS: 1184 22:14:08 -2004.796472 25.6985 BFGS: 1185 22:14:08 -2005.077171 25.6839 BFGS: 1186 22:14:09 -2005.357159 25.6799 BFGS: 1187 22:14:10 -2005.636502 25.6645 BFGS: 1188 22:14:10 -2005.915038 25.6581 BFGS: 1189 22:14:11 -2006.193093 25.6429 BFGS: 1190 22:14:12 -2006.470333 25.6427 BFGS: 1191 22:14:13 -2006.747021 25.6193 BFGS: 1192 22:14:15 -2007.023016 25.6167 BFGS: 1193 22:14:16 -2007.298182 25.5987 BFGS: 1194 22:14:17 -2007.572772 25.5887 BFGS: 1195 22:14:18 -2007.846654 25.5706 BFGS: 1196 22:14:18 -2008.119905 25.5590 BFGS: 1197 22:14:19 -2008.392420 25.5401 BFGS: 1198 22:14:20 -2008.664284 25.5272 BFGS: 1199 22:14:20 -2008.935405 25.5076 BFGS: 1200 22:14:21 -2009.205863 25.4934 BFGS: 1201 22:14:22 -2009.475576 25.4731 BFGS: 1202 22:14:23 -2009.744629 25.4577 BFGS: 1203 22:14:25 -2010.012872 25.4374 BFGS: 1204 22:14:26 -2010.280433 25.4192 BFGS: 1205 22:14:27 -2010.547269 25.3991 BFGS: 1206 22:14:28 -2010.813675 25.3855 BFGS: 1207 22:14:30 -2011.079087 25.3581 BFGS: 1208 22:14:31 -2011.343883 25.3431 BFGS: 1209 22:14:32 -2011.607865 25.3150 BFGS: 1210 22:14:33 -2011.871210 25.2992 BFGS: 1211 22:14:33 -2012.133832 25.2704 BFGS: 1212 22:14:34 -2012.395708 25.2533 BFGS: 1213 22:14:35 -2012.656877 25.2225 BFGS: 1214 22:14:38 -2012.917296 25.2065 BFGS: 1215 22:14:38 -2013.176987 25.1779 BFGS: 1216 22:14:40 -2013.436029 25.1589 BFGS: 1217 22:14:40 -2013.694342 25.1312 BFGS: 1218 22:14:41 -2013.951937 25.1175 BFGS: 1219 22:14:41 -2014.208776 25.0782 BFGS: 1220 22:14:42 -2014.465058 25.0644 BFGS: 1221 22:14:43 -2014.720472 25.0261 BFGS: 1222 22:14:45 -2014.975356 25.0099 BFGS: 1223 22:14:45 -2015.229344 24.9702 BFGS: 1224 22:14:47 -2015.482785 24.9542 BFGS: 1225 22:14:47 -2015.735304 24.9157 BFGS: 1226 22:14:50 -2015.987282 24.8961 BFGS: 1227 22:14:50 -2016.238367 24.8594 BFGS: 1228 22:14:51 -2016.488879 24.8369 BFGS: 1229 22:14:51 -2016.738533 24.8013 BFGS: 1230 22:14:51 -2016.987656 24.7776 BFGS: 1231 22:14:52 -2017.235888 24.7417 BFGS: 1232 22:14:52 -2017.483463 24.7197 BFGS: 1233 22:14:53 -2017.730197 24.6806 BFGS: 1234 22:14:55 -2017.976348 24.6551 BFGS: 1235 22:14:56 -2018.221692 24.6177 BFGS: 1236 22:14:57 -2018.466438 24.5897 BFGS: 1237 22:14:58 -2018.710405 24.5540 BFGS: 1238 22:14:59 -2018.953691 24.5233 BFGS: 1239 22:15:00 -2019.196208 24.4879 BFGS: 1240 22:15:01 -2019.438051 24.4558 BFGS: 1241 22:15:03 -2019.679133 24.4207 BFGS: 1242 22:15:04 -2019.919558 24.3894 BFGS: 1243 22:15:05 -2020.159202 24.3514 BFGS: 1244 22:15:07 -2020.398170 24.3186 BFGS: 1245 22:15:07 -2020.636365 24.2808 BFGS: 1246 22:15:09 -2020.873895 24.2468 BFGS: 1247 22:15:09 -2021.110662 24.2089 BFGS: 1248 22:15:10 -2021.346762 24.1738 BFGS: 1249 22:15:11 -2021.582154 24.1357 BFGS: 1250 22:15:11 -2021.816756 24.0978 BFGS: 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-2198.068446 14.9628 BFGS: 1860 22:27:26 -2198.450155 14.9499 BFGS: 1861 22:27:28 -2198.836266 14.9361 BFGS: 1862 22:27:29 -2199.219495 14.9235 BFGS: 1863 22:27:29 -2199.605831 14.9103 BFGS: 1864 22:27:31 -2199.992673 14.8976 BFGS: 1865 22:27:33 -2200.378255 14.8853 BFGS: 1866 22:27:35 -2200.765266 14.8730 BFGS: 1867 22:27:35 -2201.151515 14.8611 BFGS: 1868 22:27:36 -2201.538962 14.8493 BFGS: 1869 22:27:37 -2201.925915 14.8378 BFGS: 1870 22:27:38 -2202.314565 14.8262 BFGS: 1871 22:27:39 -2202.702611 14.8150 BFGS: 1872 22:27:40 -2203.091135 14.8041 BFGS: 1873 22:27:41 -2203.479646 14.7932 BFGS: 1874 22:27:42 -2203.870097 14.7823 BFGS: 1875 22:27:42 -2204.258097 14.7720 BFGS: 1876 22:27:42 -2204.650035 14.7611 BFGS: 1877 22:27:44 -2205.037386 14.7514 BFGS: 1878 22:27:45 -2205.432018 14.7405 BFGS: 1879 22:27:45 -2205.819043 14.7311 BFGS: 1880 22:27:46 -2206.212678 14.7205 BFGS: 1881 22:27:46 -2206.601248 14.7111 BFGS: 1882 22:27:47 -2206.994061 14.7007 BFGS: 1883 22:27:48 -2207.383741 14.6910 BFGS: 1884 22:27:49 -2207.776065 14.6807 BFGS: 1885 22:27:50 -2208.166330 14.6708 BFGS: 1886 22:27:51 -2208.559099 14.6602 BFGS: 1887 22:27:53 -2208.949292 14.6499 BFGS: 1888 22:27:54 -2209.342158 14.6406 BFGS: 1889 22:27:54 -2209.734007 14.6297 BFGS: 1890 22:27:54 -2210.125889 14.6185 BFGS: 1891 22:27:55 -2210.517598 14.6069 BFGS: 1892 22:27:55 -2210.909609 14.5949 BFGS: 1893 22:27:56 -2211.301962 14.5822 BFGS: 1894 22:27:58 -2211.694636 14.5691 BFGS: 1895 22:27:59 -2212.086212 14.5556 BFGS: 1896 22:28:00 -2212.478623 14.5413 BFGS: 1897 22:28:02 -2212.870306 14.5263 BFGS: 1898 22:28:03 -2213.262650 14.5105 BFGS: 1899 22:28:04 -2213.654447 14.4938 BFGS: 1900 22:28:06 -2214.046738 14.4761 BFGS: 1901 22:28:07 -2214.438603 14.4574 BFGS: 1902 22:28:08 -2214.830813 14.4376 BFGS: 1903 22:28:10 -2215.222688 14.4165 BFGS: 1904 22:28:12 -2215.614781 14.3942 BFGS: 1905 22:28:14 -2216.006910 14.3702 BFGS: 1906 22:28:15 -2216.399520 14.3522 BFGS: 1907 22:28:17 -2216.792256 14.3251 BFGS: 1908 22:28:19 -2217.183764 14.2967 BFGS: 1909 22:28:21 -2217.574305 14.2667 BFGS: 1910 22:28:23 -2217.966052 14.2342 BFGS: 1911 22:28:25 -2218.356432 14.2000 BFGS: 1912 22:28:26 -2218.748349 14.1632 BFGS: 1913 22:28:26 -2219.138878 14.1245 BFGS: 1914 22:28:26 -2219.528817 14.0838 BFGS: 1915 22:28:28 -2219.920749 14.0395 BFGS: 1916 22:28:30 -2220.308621 13.9942 BFGS: 1917 22:28:31 -2220.699860 13.9444 BFGS: 1918 22:28:32 -2221.087080 13.8935 BFGS: 1919 22:28:33 -2221.477282 13.8379 BFGS: 1920 22:28:34 -2221.863751 13.7810 BFGS: 1921 22:28:36 -2222.252963 13.7191 BFGS: 1922 22:28:39 -2222.638747 13.6558 BFGS: 1923 22:28:39 -2223.028374 13.5888 BFGS: 1924 22:28:41 -2223.411358 13.5199 BFGS: 1925 22:28:43 -2223.799923 13.4432 BFGS: 1926 22:28:45 -2224.181945 13.3668 BFGS: 1927 22:28:46 -2224.569741 13.2822 BFGS: 1928 22:28:48 -2224.951187 13.1980 BFGS: 1929 22:28:50 -2225.336097 13.1064 BFGS: 1930 22:28:51 -2225.716079 13.0140 BFGS: 1931 22:28:53 -2226.099770 12.9137 BFGS: 1932 22:28:54 -2226.477289 12.8135 BFGS: 1933 22:28:55 -2226.858472 12.7049 BFGS: 1934 22:28:57 -2227.234349 12.5959 BFGS: 1935 22:28:59 -2227.612521 12.4791 BFGS: 1936 22:29:01 -2227.986811 12.3606 BFGS: 1937 22:29:02 -2228.362314 12.2444 BFGS: 1938 22:29:03 -2228.734896 12.1183 BFGS: 1939 22:29:05 -2229.108613 11.9833 BFGS: 1940 22:29:06 -2229.477609 11.8471 BFGS: 1941 22:29:07 -2229.847789 11.7036 BFGS: 1942 22:29:08 -2230.214296 11.5583 BFGS: 1943 22:29:09 -2230.580457 11.4086 BFGS: 1944 22:29:09 -2230.945121 11.2524 BFGS: 1945 22:29:10 -2231.306005 11.0943 BFGS: 1946 22:29:10 -2231.668636 10.9276 BFGS: 1947 22:29:12 -2232.025146 10.7615 BFGS: 1948 22:29:13 -2232.382766 10.5877 BFGS: 1949 22:29:13 -2232.740139 10.4074 BFGS: 1950 22:29:14 -2233.091161 10.2289 BFGS: 1951 22:29:14 -2233.444104 10.0398 BFGS: 1952 22:29:15 -2233.791182 9.8523 BFGS: 1953 22:29:17 -2234.139437 9.6552 BFGS: 1954 22:29:18 -2234.482346 9.5771 BFGS: 1955 22:29:19 -2234.825810 9.6002 BFGS: 1956 22:29:21 -2235.164288 9.6383 BFGS: 1957 22:29:23 -2235.502772 9.6600 BFGS: 1958 22:29:25 -2235.836543 9.6957 BFGS: 1959 22:29:25 -2236.169843 9.7160 BFGS: 1960 22:29:26 -2236.497774 9.7519 BFGS: 1961 22:29:27 -2236.826001 9.7680 BFGS: 1962 22:29:28 -2237.148769 9.8027 BFGS: 1963 22:29:28 -2237.471904 9.8153 BFGS: 1964 22:29:30 -2237.789267 9.8451 BFGS: 1965 22:29:30 -2238.106245 9.8585 BFGS: 1966 22:29:31 -2238.418468 9.8868 BFGS: 1967 22:29:32 -2238.730410 9.8960 BFGS: 1968 22:29:33 -2239.035643 9.9220 BFGS: 1969 22:29:34 -2239.341821 9.9310 BFGS: 1970 22:29:35 -2239.641534 9.9551 BFGS: 1971 22:29:36 -2239.941144 9.9642 BFGS: 1972 22:29:38 -2240.235631 9.9820 BFGS: 1973 22:29:39 -2240.529094 9.9900 BFGS: 1974 22:29:40 -2240.818461 10.0061 BFGS: 1975 22:29:42 -2241.106972 10.0082 BFGS: 1976 22:29:44 -2241.389973 10.0253 BFGS: 1977 22:29:45 -2241.672494 10.0213 BFGS: 1978 22:29:47 -2241.951224 10.0340 BFGS: 1979 22:29:48 -2242.228596 10.0271 BFGS: 1980 22:29:49 -2242.502807 10.0400 BFGS: 1981 22:29:51 -2242.775275 10.0286 BFGS: 1982 22:29:52 -2243.046237 10.0372 BFGS: 1983 22:29:53 -2243.315535 10.0232 BFGS: 1984 22:29:55 -2243.584826 10.0266 BFGS: 1985 22:29:57 -2243.852253 10.0128 BFGS: 1986 22:29:58 -2244.119215 10.0097 BFGS: 1987 22:30:00 -2244.385076 9.9889 BFGS: 1988 22:30:02 -2244.655154 9.9821 BFGS: 1989 22:30:03 -2244.900584 9.9575 BFGS: 1990 22:30:05 -2245.124934 9.9454 BFGS: 1991 22:30:06 -2245.329231 9.9223 BFGS: 1992 22:30:07 -2245.517114 9.9065 BFGS: 1993 22:30:09 -2245.690712 9.8833 BFGS: 1994 22:30:10 -2245.852482 9.8664 BFGS: 1995 22:30:12 -2246.004412 9.8442 BFGS: 1996 22:30:14 -2246.148496 9.8275 BFGS: 1997 22:30:16 -2246.285922 9.8092 BFGS: 1998 22:30:17 -2246.418104 9.7914 BFGS: 1999 22:30:18 -2246.545799 9.7758 BFGS: 2000 22:30:19 -2246.669778 9.7583 BFGS: 2001 22:30:21 -2246.790587 9.7454 BFGS: 2002 22:30:22 -2246.908768 9.7281 BFGS: 2003 22:30:23 -2247.024675 9.7158 BFGS: 2004 22:30:25 -2247.138287 9.7007 BFGS: 2005 22:30:26 -2247.250210 9.6911 BFGS: 2006 22:30:28 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3403 22:57:43 -2845.286648 1.2766 BFGS: 3404 22:57:43 -2845.286649 1.2800 BFGS: 3405 22:57:44 -2845.286650 1.2800 BFGS: 3406 22:57:44 -2845.286650 1.2794 BFGS: 3407 22:57:45 -2845.286650 1.2792 BFGS: 3408 22:57:45 -2845.286650 1.2791 BFGS: 3409 22:57:46 -2845.286650 1.2794 BFGS: 3410 22:57:47 -2845.286650 1.2798 BFGS: 3411 22:57:48 -2845.286650 1.2800 BFGS: 3412 22:57:49 -2845.286650 1.2804 BFGS: 3413 22:57:51 -2845.286650 1.2805 BFGS: 3414 22:57:52 -2845.286650 1.2805 BFGS: 3415 22:57:54 -2845.286650 1.2806 BFGS: 3416 22:57:55 -2845.286650 1.2805 BFGS: 3417 22:57:57 -2845.286650 1.2805 BFGS: 3418 22:57:58 -2845.286650 1.2803 BFGS: 3419 22:57:58 -2845.286650 1.2801 BFGS: 3420 22:57:59 -2845.286650 1.2797 BFGS: 3421 22:58:00 -2845.286651 1.2790 BFGS: 3422 22:58:01 -2845.286653 1.2778 BFGS: 3423 22:58:01 -2845.286658 1.2759 BFGS: 3424 22:58:03 -2845.286671 1.2728 BFGS: 3425 22:58:04 -2845.286703 1.2678 BFGS: 3426 22:58:05 -2845.286789 1.2597 BFGS: 3427 22:58:06 -2845.287013 1.2505 BFGS: 3428 22:58:07 -2845.287598 1.2652 BFGS: 3429 22:58:08 -2845.289125 1.2891 BFGS: 3430 22:58:09 -2845.293106 1.3273 BFGS: 3431 22:58:10 -2845.303431 1.3856 BFGS: 3432 22:58:12 -2845.329775 1.4670 BFGS: 3433 22:58:13 -2845.394269 1.5548 BFGS: 3434 22:58:14 -2845.469639 1.5574 BFGS: 3435 22:58:15 -2845.545278 1.5084 BFGS: 3436 22:58:16 -2845.620973 1.4422 BFGS: 3437 22:58:17 -2845.695606 1.3648 BFGS: 3438 22:58:18 -2845.766799 1.3138 BFGS: 3439 22:58:19 -2845.834652 1.2365 BFGS: 3440 22:58:21 -2845.897971 1.1481 BFGS: 3441 22:58:22 -2845.956134 1.0510 BFGS: 3442 22:58:23 -2846.008359 0.9541 BFGS: 3443 22:58:23 -2846.054765 0.8571 BFGS: 3444 22:58:24 -2846.095539 0.7600 BFGS: 3445 22:58:25 -2846.130188 0.6663 BFGS: 3446 22:58:26 -2846.159168 0.5802 BFGS: 3447 22:58:27 -2846.182172 0.5010 BFGS: 3448 22:58:28 -2846.199520 0.4772 BFGS: 3449 22:58:29 -2846.211013 0.4819 BFGS: 3450 22:58:30 -2846.216839 0.4850 BFGS: 3451 22:58:31 -2846.217567 0.4883 BFGS: 3452 22:58:32 -2846.217595 0.4881 BFGS: 3453 22:58:32 -2846.217709 0.4871 BFGS: 3454 22:58:33 -2846.217783 0.4901 BFGS: 3455 22:58:34 -2846.218134 0.4983 BFGS: 3456 22:58:35 -2846.218866 0.5168 BFGS: 3457 22:58:36 -2846.220850 0.5515 BFGS: 3458 22:58:36 -2846.225592 0.6157 BFGS: 3459 22:58:37 -2846.236569 0.6948 BFGS: 3460 22:58:38 -2846.257580 0.7222 BFGS: 3461 22:58:39 -2846.284926 0.5345 BFGS: 3462 22:58:40 -2846.302559 0.2213 BFGS: 3463 22:58:41 -2846.307358 0.0639 BFGS: 3464 22:58:42 -2846.307806 0.0238 BFGS: 3465 22:58:43 -2846.307841 0.0121 BFGS: 3466 22:58:44 -2846.307849 0.0067 BFGS: 3467 22:58:45 -2846.307851 0.0011 BFGS: 3468 22:58:46 -2846.307851 0.0004 BFGS: 3469 22:58:47 -2846.307851 0.0002 BFGS: 3470 22:58:48 -2846.307851 0.0000 BFGS: 3471 22:58:49 -2846.307851 0.0000 BFGS: 3472 22:58:50 -2846.307851 0.0000 BFGS: 3473 22:58:51 -2846.307851 0.0000 BFGS: 3474 22:58:52 -2846.307851 0.0000 BFGS: 3475 22:58:53 -2846.307851 0.0000 BFGS: 3476 22:58:54 -2846.307851 0.0000 BFGS: 3477 22:58:55 -2846.307851 0.0000 BFGS: 3478 22:58:56 -2846.307851 0.0000 BFGS: 3479 22:58:57 -2846.307851 0.0000 BFGS: 3480 22:58:58 -2846.307851 0.0000 BFGS: 3481 22:58:59 -2846.307851 0.0000 BFGS: 3482 22:58:59 -2846.307851 0.0000 Minimization converged after 3482 steps. Maximum force component: 7.768410211763877e-09 eV/Angstrom Maximum stress component: 2.0893435890759603e-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', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0.00000000e+00 4.44682588e-01 9.82889823e-32] [5.00000000e-01 9.44682588e-01 1.00000000e+00] [8.43104308e-32 5.55317412e-01 0.00000000e+00] [5.00000000e-01 5.53174121e-02 1.00000000e+00] [5.99309622e-01 0.00000000e+00 4.27209132e-01] [4.00690378e-01 0.00000000e+00 5.72790868e-01] [9.93096221e-02 5.00000000e-01 4.27209132e-01] [9.00690378e-01 5.00000000e-01 5.72790868e-01] [5.26026526e-01 0.00000000e+00 2.19497393e-01] [4.73973474e-01 1.46600094e-31 7.80502607e-01] [2.60265260e-02 5.00000000e-01 2.19497393e-01] [9.73973474e-01 5.00000000e-01 7.80502607e-01] [3.21282519e-01 0.00000000e+00 7.43839322e-02] [6.78717481e-01 0.00000000e+00 9.25616068e-01] [8.21282519e-01 5.00000000e-01 7.43839322e-02] [1.78717481e-01 5.00000000e-01 9.25616068e-01] [5.96335960e-01 8.17709600e-01 4.31158409e-01] [4.03664040e-01 8.17709600e-01 5.68841591e-01] [9.63359596e-02 3.17709600e-01 4.31158409e-01] [9.03664040e-01 3.17709600e-01 5.68841591e-01] [4.03664040e-01 1.82290400e-01 5.68841591e-01] [5.96335960e-01 1.82290400e-01 4.31158409e-01] [9.03664040e-01 6.82290400e-01 5.68841591e-01] [9.63359596e-02 6.82290400e-01 4.31158409e-01] [4.70382453e-01 9.07103298e-01 6.44501851e-01] [5.29617547e-01 9.07103298e-01 3.55498149e-01] [9.70382453e-01 4.07103298e-01 6.44501851e-01] [2.96175466e-02 4.07103298e-01 3.55498149e-01] [5.29617547e-01 9.28967024e-02 3.55498149e-01] [4.70382453e-01 9.28967024e-02 6.44501851e-01] [2.96175466e-02 5.92896702e-01 3.55498149e-01] [9.70382453e-01 5.92896702e-01 6.44501851e-01] [8.24539220e-01 7.86878829e-01 6.37118992e-01] [1.75460780e-01 7.86878829e-01 3.62881008e-01] [3.24539220e-01 2.86878829e-01 6.37118992e-01] [6.75460780e-01 2.86878829e-01 3.62881008e-01] [1.75460780e-01 2.13121171e-01 3.62881008e-01] [8.24539220e-01 2.13121171e-01 6.37118992e-01] [6.75460780e-01 7.13121171e-01 3.62881008e-01] [3.24539220e-01 7.13121171e-01 6.37118992e-01] [4.97542731e-01 7.30233777e-01 6.34813236e-01] [5.02457269e-01 7.30233777e-01 3.65186764e-01] [9.97542731e-01 2.30233777e-01 6.34813236e-01] [2.45726930e-03 2.30233777e-01 3.65186764e-01] [5.02457269e-01 2.69766223e-01 3.65186764e-01] [4.97542731e-01 2.69766223e-01 6.34813236e-01] [2.45726930e-03 7.69766223e-01 3.65186764e-01] [9.97542731e-01 7.69766223e-01 6.34813236e-01] [7.06917309e-01 9.45335309e-01 1.38920401e-01] [2.93082691e-01 9.45335309e-01 8.61079599e-01] [2.06917309e-01 4.45335309e-01 1.38920401e-01] [7.93082691e-01 4.45335309e-01 8.61079599e-01] [2.93082691e-01 5.46646910e-02 8.61079599e-01] [7.06917309e-01 5.46646910e-02 1.38920401e-01] [7.93082691e-01 5.54664691e-01 8.61079599e-01] [2.06917309e-01 5.54664691e-01 1.38920401e-01] [8.36141923e-01 2.75293732e-01 3.98220354e-01] [1.63858077e-01 2.75293732e-01 6.01779646e-01] [3.36141923e-01 7.75293732e-01 3.98220354e-01] [6.63858077e-01 7.75293732e-01 6.01779646e-01] [1.63858077e-01 7.24706268e-01 6.01779646e-01] [8.36141923e-01 7.24706268e-01 3.98220354e-01] [6.63858077e-01 2.24706268e-01 6.01779646e-01] [3.36141923e-01 2.24706268e-01 3.98220354e-01] [6.99805437e-01 9.14251515e-01 6.17128535e-01] [3.00194563e-01 9.14251515e-01 3.82871465e-01] [1.99805437e-01 4.14251515e-01 6.17128535e-01] [8.00194563e-01 4.14251515e-01 3.82871465e-01] [3.00194563e-01 8.57484847e-02 3.82871465e-01] [6.99805437e-01 8.57484847e-02 6.17128535e-01] [8.00194563e-01 5.85748485e-01 3.82871465e-01] [1.99805437e-01 5.85748485e-01 6.17128535e-01] [8.49458048e-01 8.37411469e-01 1.83175552e-01] [1.50541952e-01 8.37411469e-01 8.16824448e-01] [3.49458048e-01 3.37411469e-01 1.83175552e-01] [6.50541952e-01 3.37411469e-01 8.16824448e-01] [1.50541952e-01 1.62588531e-01 8.16824448e-01] [8.49458048e-01 1.62588531e-01 1.83175552e-01] [6.50541952e-01 6.62588531e-01 8.16824448e-01] [3.49458048e-01 6.62588531e-01 1.83175552e-01] [3.74937695e-01 8.18894031e-01 9.60752333e-01] [6.25062305e-01 8.18894031e-01 3.92476674e-02] [8.74937695e-01 3.18894031e-01 9.60752333e-01] [1.25062305e-01 3.18894031e-01 3.92476674e-02] [6.25062305e-01 1.81105969e-01 3.92476674e-02] [3.74937695e-01 1.81105969e-01 9.60752333e-01] [1.25062305e-01 6.81105969e-01 3.92476674e-02] [8.74937695e-01 6.81105969e-01 9.60752333e-01] [4.19834599e-01 5.89328289e-01 7.50192224e-01] [5.80165401e-01 5.89328289e-01 2.49807776e-01] [9.19834599e-01 8.93282893e-02 7.50192224e-01] [8.01654009e-02 8.93282893e-02 2.49807776e-01] [5.80165401e-01 4.10671711e-01 2.49807776e-01] [4.19834599e-01 4.10671711e-01 7.50192224e-01] [8.01654009e-02 9.10671711e-01 2.49807776e-01] [9.19834599e-01 9.10671711e-01 7.50192224e-01]] cellpar = Cell([[6.798171302409679, 1.4357237779872838e-17, -3.0280553242548462], [4.960628607271084e-17, 11.56082721092654, -5.04150724805473e-16], [3.949003703100593, -2.88600555207839e-17, 2.7556147080155626]]) forces = [[-6.52854492e-27 -1.52148822e-09 6.63498704e-26] [-6.52854492e-27 -1.52148822e-09 6.63498704e-26] [ 6.52854492e-27 1.52148822e-09 -6.63498704e-26] [ 6.52854492e-27 1.52148822e-09 -6.63498704e-26] [-7.07500475e-09 9.76672701e-27 1.52732896e-10] [ 7.07500475e-09 -9.76672701e-27 -1.52732896e-10] [-7.07500475e-09 9.76672701e-27 1.52732896e-10] [ 7.07500475e-09 -9.76672701e-27 -1.52732896e-10] [ 3.26697411e-09 -6.91024985e-26 7.76841021e-09] [-3.26697411e-09 6.91024985e-26 -7.76841021e-09] [ 3.26697411e-09 -6.91024985e-26 7.76841021e-09] [-3.26697411e-09 6.91024985e-26 -7.76841021e-09] [-1.41548864e-09 -4.25549558e-26 5.43215260e-09] [ 1.41548864e-09 4.25549558e-26 -5.43215260e-09] [-1.41548864e-09 -4.25549558e-26 5.43215260e-09] [ 1.41548864e-09 4.25549558e-26 -5.43215260e-09] [ 2.99747773e-09 -2.38078411e-09 2.24014330e-09] [-2.99747773e-09 -2.38078411e-09 -2.24014330e-09] [ 2.99747773e-09 -2.38078411e-09 2.24014330e-09] [-2.99747773e-09 -2.38078411e-09 -2.24014330e-09] [-2.99747773e-09 2.38078411e-09 -2.24014330e-09] [ 2.99747773e-09 2.38078411e-09 2.24014330e-09] [-2.99747773e-09 2.38078411e-09 -2.24014330e-09] [ 2.99747773e-09 2.38078411e-09 2.24014330e-09] [ 2.99241588e-09 5.76582177e-09 6.58267160e-09] [-2.99241588e-09 5.76582177e-09 -6.58267160e-09] [ 2.99241588e-09 5.76582177e-09 6.58267160e-09] [-2.99241588e-09 5.76582177e-09 -6.58267160e-09] [-2.99241588e-09 -5.76582177e-09 -6.58267160e-09] [ 2.99241588e-09 -5.76582177e-09 6.58267160e-09] [-2.99241588e-09 -5.76582177e-09 -6.58267160e-09] [ 2.99241588e-09 -5.76582177e-09 6.58267160e-09] [-1.33565064e-09 1.03489073e-09 2.71129573e-09] [ 1.33565064e-09 1.03489073e-09 -2.71129573e-09] [-1.33565064e-09 1.03489073e-09 2.71129573e-09] [ 1.33565064e-09 1.03489073e-09 -2.71129573e-09] [ 1.33565064e-09 -1.03489073e-09 -2.71129573e-09] [-1.33565064e-09 -1.03489073e-09 2.71129573e-09] [ 1.33565064e-09 -1.03489073e-09 -2.71129573e-09] [-1.33565064e-09 -1.03489073e-09 2.71129573e-09] [-7.98204285e-11 -1.16382069e-09 1.38233046e-09] [ 7.98204285e-11 -1.16382069e-09 -1.38233046e-09] [-7.98204285e-11 -1.16382069e-09 1.38233046e-09] [ 7.98204285e-11 -1.16382069e-09 -1.38233046e-09] [ 7.98204285e-11 1.16382069e-09 -1.38233046e-09] [-7.98204285e-11 1.16382069e-09 1.38233046e-09] [ 7.98204285e-11 1.16382069e-09 -1.38233046e-09] [-7.98204285e-11 1.16382069e-09 1.38233046e-09] [ 4.70488956e-10 5.27779587e-09 3.90592845e-09] [-4.70488956e-10 5.27779587e-09 -3.90592845e-09] [ 4.70488956e-10 5.27779587e-09 3.90592845e-09] [-4.70488956e-10 5.27779587e-09 -3.90592845e-09] [-4.70488956e-10 -5.27779587e-09 -3.90592845e-09] [ 4.70488956e-10 -5.27779587e-09 3.90592845e-09] [-4.70488956e-10 -5.27779587e-09 -3.90592845e-09] [ 4.70488956e-10 -5.27779587e-09 3.90592845e-09] [ 8.28792652e-10 -7.41092235e-10 1.14778417e-09] [-8.28792652e-10 -7.41092235e-10 -1.14778417e-09] [ 8.28792652e-10 -7.41092235e-10 1.14778417e-09] [-8.28792652e-10 -7.41092235e-10 -1.14778417e-09] [-8.28792652e-10 7.41092235e-10 -1.14778417e-09] [ 8.28792652e-10 7.41092235e-10 1.14778417e-09] [-8.28792652e-10 7.41092235e-10 -1.14778417e-09] [ 8.28792652e-10 7.41092235e-10 1.14778417e-09] [-3.49178208e-09 5.17786817e-09 -4.39041094e-09] [ 3.49178208e-09 5.17786817e-09 4.39041094e-09] [-3.49178208e-09 5.17786817e-09 -4.39041094e-09] [ 3.49178208e-09 5.17786817e-09 4.39041094e-09] [ 3.49178208e-09 -5.17786817e-09 4.39041094e-09] [-3.49178208e-09 -5.17786817e-09 -4.39041094e-09] [ 3.49178208e-09 -5.17786817e-09 4.39041094e-09] [-3.49178208e-09 -5.17786817e-09 -4.39041094e-09] [-2.94923775e-09 3.71722115e-09 3.56410605e-09] [ 2.94923775e-09 3.71722115e-09 -3.56410605e-09] [-2.94923775e-09 3.71722115e-09 3.56410605e-09] [ 2.94923775e-09 3.71722115e-09 -3.56410605e-09] [ 2.94923775e-09 -3.71722115e-09 -3.56410605e-09] [-2.94923775e-09 -3.71722115e-09 3.56410605e-09] [ 2.94923775e-09 -3.71722115e-09 -3.56410605e-09] [-2.94923775e-09 -3.71722115e-09 3.56410605e-09] [-2.75524095e-09 -2.00741017e-09 -1.59081809e-09] [ 2.75524095e-09 -2.00741017e-09 1.59081809e-09] [-2.75524095e-09 -2.00741017e-09 -1.59081809e-09] [ 2.75524095e-09 -2.00741017e-09 1.59081809e-09] [ 2.75524095e-09 2.00741017e-09 1.59081809e-09] [-2.75524095e-09 2.00741017e-09 -1.59081809e-09] [ 2.75524095e-09 2.00741017e-09 1.59081809e-09] [-2.75524095e-09 2.00741017e-09 -1.59081809e-09] [ 2.05720519e-09 -2.54627426e-09 -2.39208479e-09] [-2.05720519e-09 -2.54627426e-09 2.39208479e-09] [ 2.05720519e-09 -2.54627426e-09 -2.39208479e-09] [-2.05720519e-09 -2.54627426e-09 2.39208479e-09] [-2.05720519e-09 2.54627426e-09 2.39208479e-09] [ 2.05720519e-09 2.54627426e-09 -2.39208479e-09] [-2.05720519e-09 2.54627426e-09 2.39208479e-09] [ 2.05720519e-09 2.54627426e-09 -2.39208479e-09]] stress = [-1.77693932e-10 -1.01468061e-10 -2.08934359e-10 1.59267966e-26 -2.62521312e-12 9.47508358e-29] energy per atom = -29.649040110687185 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0