element(s): ['Si'] AFLOW prototype label: A_mC164_15_e20f Parameter names: ['a', 'b/a', 'c/a', 'beta', 'y1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', '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', 'x15', 'y15', 'z15', 'x16', 'y16', 'z16', 'x17', 'y17', 'z17', 'x18', 'y18', 'z18', 'x19', 'y19', 'z19', 'x20', 'y20', 'z20', 'x21', 'y21', 'z21'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['25.5153', '0.59626185', '0.38807304', '85.6678', '0.5018589', '0.68877825', '0.96352682', '0.39618647', '0.85290647', '0.066655781', '0.19885487', '0.85161909', '0.93394953', '0.32543919', '0.90872025', '0.95961914', '0.50215183', '0.39194115', '0.3160815', '0.19689941', '0.45947298', '0.2475486', '0.3176402', '0.2268061', '0.13306616', '0.35835738', '0.74433636', '0.76915545', '0.24636872', '0.32359862', '0.22635453', '0.12155393', '0.30617288', '0.092719903', '0.23378721', '0.44585184', '0.099109512', '0.39907312', '0.76670646', '0.88208696', '0.40378522', '0.46313645', '0.74291846', '0.18744694', '0.52487726', '0.65186183', '0.50503416', '0.39433722', '0.67549036', '0.32193311', '0.43434955', '0.610825', '0.50714113', '0.55091352', '0.89443078', '0.35966828', '0.33102234', '0.78459971', '0.3807846', '0.36635198', '0.90960313', '0.26587063', '0.36114403', '0.039715317', '0.39377295'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0. 0.4981411 0.25 ] [0.31122175 0.96352682 0.60381353] [0.14709353 0.06665578 0.80114513] [0.14838091 0.93394953 0.67456081] [0.09127975 0.95961914 0.49784817] [0.60805885 0.3160815 0.80310059] [0.54052702 0.2475486 0.6823598 ] [0.7731939 0.13306616 0.64164262] [0.25566364 0.76915545 0.75363128] [0.67640138 0.22635453 0.87844607] [0.69382712 0.0927199 0.76621279] [0.55414816 0.09910951 0.60092688] [0.23329354 0.88208696 0.59621478] [0.53686355 0.74291846 0.81255306] [0.47512274 0.65186183 0.49496584] [0.60566278 0.67549036 0.67806689] [0.56565045 0.610825 0.49285887] [0.44908648 0.89443078 0.64033172] [0.66897766 0.78459971 0.6192154 ] [0.63364802 0.90960313 0.73412937] [0.63885597 0.03971532 0.60622705]] spacegroup = 15 cell = [[25.5153, 0, 0], [0, 15.2138, 0], [0.74797334784504, 0, 9.8735089563394]] ========================================= Step Time Energy fmax BFGS: 0 10:59:15 -1210.110194 9.348870 BFGS: 1 10:59:16 -1212.574146 9.322295 BFGS: 2 10:59:17 -1214.732893 9.295515 BFGS: 3 10:59:19 -1216.698876 9.269684 BFGS: 4 10:59:20 -1218.536434 9.247968 BFGS: 5 10:59:26 -1220.284825 9.229447 BFGS: 6 10:59:35 -1221.968086 9.211864 BFGS: 7 10:59:37 -1223.602253 9.195175 BFGS: 8 10:59:38 -1225.198313 9.179303 BFGS: 9 10:59:44 -1226.764068 9.164162 BFGS: 10 10:59:45 -1228.305324 9.150260 BFGS: 11 10:59:50 -1229.826322 9.136318 BFGS: 12 10:59:52 -1231.330292 9.122882 BFGS: 13 10:59:54 -1232.819850 9.109940 BFGS: 14 10:59:55 -1234.297111 9.097321 BFGS: 15 11:00:01 -1235.763698 9.085179 BFGS: 16 11:00:04 -1237.221146 9.073168 BFGS: 17 11:00:06 -1238.670418 9.061402 BFGS: 18 11:00:08 -1240.112480 9.049845 BFGS: 19 11:00:10 -1241.548160 9.038464 BFGS: 20 11:00:12 -1242.978176 9.027275 BFGS: 21 11:00:14 -1244.403261 9.016365 BFGS: 22 11:00:16 -1245.824081 9.005499 BFGS: 23 11:00:17 -1247.241130 8.994931 BFGS: 24 11:00:19 -1248.654762 8.984009 BFGS: 25 11:00:21 -1250.065263 8.973109 BFGS: 26 11:00:23 -1251.472735 8.962704 BFGS: 27 11:00:26 -1252.877402 8.951780 BFGS: 28 11:00:29 -1254.279563 8.941657 BFGS: 29 11:00:32 -1255.679638 8.930857 BFGS: 30 11:00:34 -1257.077766 8.919759 BFGS: 31 11:00:37 -1258.474394 8.909005 BFGS: 32 11:00:39 -1259.869805 8.898452 BFGS: 33 11:00:42 -1261.264147 8.889229 BFGS: 34 11:00:45 -1262.657798 8.880047 BFGS: 35 11:00:48 -1264.050991 8.870620 BFGS: 36 11:00:51 -1265.443907 8.861076 BFGS: 37 11:00:55 -1266.836801 8.851388 BFGS: 38 11:01:00 -1268.229931 8.841559 BFGS: 39 11:01:03 -1269.623541 8.831538 BFGS: 40 11:01:08 -1271.017706 8.821305 BFGS: 41 11:01:10 -1272.412525 8.810850 BFGS: 42 11:01:13 -1273.808022 8.800166 BFGS: 43 11:01:15 -1275.204155 8.789250 BFGS: 44 11:01:20 -1276.600873 8.778988 BFGS: 45 11:01:24 -1277.997282 8.767652 BFGS: 46 11:01:27 -1279.393366 8.756067 BFGS: 47 11:01:30 -1280.788998 8.744249 BFGS: 48 11:01:34 -1282.184055 8.732208 BFGS: 49 11:01:39 -1283.578411 8.719958 BFGS: 50 11:01:44 -1284.971938 8.707513 BFGS: 51 11:01:48 -1286.364510 8.694888 BFGS: 52 11:01:52 -1287.756006 8.682096 BFGS: 53 11:01:54 -1289.146308 8.669154 BFGS: 54 11:01:58 -1290.535306 8.656076 BFGS: 55 11:02:02 -1291.922907 8.643278 BFGS: 56 11:02:08 -1293.308957 8.629966 BFGS: 57 11:02:17 -1294.693433 8.616571 BFGS: 58 11:02:23 -1296.076260 8.603102 BFGS: 59 11:02:28 -1297.457424 8.589620 BFGS: 60 11:02:34 -1298.837163 8.576697 BFGS: 61 11:02:41 -1300.215133 8.563170 BFGS: 62 11:02:50 -1301.591290 8.549587 BFGS: 63 11:02:58 -1302.965662 8.536041 BFGS: 64 11:03:02 -1304.338266 8.522390 BFGS: 65 11:03:09 -1305.709155 8.509612 BFGS: 66 11:03:15 -1307.078241 8.496163 BFGS: 67 11:03:19 -1308.446010 8.482683 BFGS: 68 11:03:23 -1309.812356 8.469268 BFGS: 69 11:03:26 -1311.177413 8.455851 BFGS: 70 11:03:29 -1312.541063 8.442491 BFGS: 71 11:03:32 -1313.903418 8.429202 BFGS: 72 11:03:36 -1315.264605 8.416004 BFGS: 73 11:03:41 -1316.624864 8.402891 BFGS: 74 11:03:46 -1317.984188 8.389876 BFGS: 75 11:03:49 -1319.342797 8.377606 BFGS: 76 11:03:52 -1320.700785 8.364871 BFGS: 77 11:03:55 -1322.058455 8.352259 BFGS: 78 11:03:57 -1323.415938 8.339629 BFGS: 79 11:04:00 -1324.773365 8.327896 BFGS: 80 11:04:03 -1326.130816 8.315338 BFGS: 81 11:04:06 -1327.488483 8.303351 BFGS: 82 11:04:09 -1328.846694 8.291007 BFGS: 83 11:04:12 -1330.205202 8.278699 BFGS: 84 11:04:15 -1331.564094 8.266411 BFGS: 85 11:04:18 -1332.923429 8.254131 BFGS: 86 11:04:21 -1334.283224 8.241843 BFGS: 87 11:04:24 -1335.643450 8.229410 BFGS: 88 11:04:27 -1337.005137 8.217054 BFGS: 89 11:04:31 -1338.371172 8.204811 BFGS: 90 11:04:34 -1339.745805 8.193928 BFGS: 91 11:04:36 -1341.134790 8.183868 BFGS: 92 11:04:39 -1342.546254 8.174618 BFGS: 93 11:04:41 -1343.993485 8.168675 BFGS: 94 11:04:44 -1345.492150 8.165141 BFGS: 95 11:04:46 -1347.046139 8.165169 BFGS: 96 11:04:49 -1348.636883 8.166597 BFGS: 97 11:04:51 -1350.254876 8.169428 BFGS: 98 11:04:56 -1351.900550 8.173688 BFGS: 99 11:04:58 -1353.575101 8.178095 BFGS: 100 11:05:00 -1355.281211 8.182795 BFGS: 101 11:05:01 -1357.023658 8.187099 BFGS: 102 11:05:03 -1358.801613 8.193697 BFGS: 103 11:05:04 -1360.608227 8.198534 BFGS: 104 11:05:05 -1362.428343 8.202538 BFGS: 105 11:05:06 -1364.230707 8.202278 BFGS: 106 11:05:08 -1365.920499 8.196219 BFGS: 107 11:05:09 -1367.495463 8.186588 BFGS: 108 11:05:10 -1368.990863 8.173034 BFGS: 109 11:05:11 -1370.433572 8.157934 BFGS: 110 11:05:13 -1371.841741 8.141871 BFGS: 111 11:05:14 -1373.226583 8.125306 BFGS: 112 11:05:15 -1374.595608 8.109281 BFGS: 113 11:05:17 -1375.953033 8.092432 BFGS: 114 11:05:19 -1377.302201 8.074995 BFGS: 115 11:05:21 -1378.644960 8.057522 BFGS: 116 11:05:22 -1379.982044 8.039972 BFGS: 117 11:05:24 -1381.314736 8.022386 BFGS: 118 11:05:25 -1382.643927 8.004754 BFGS: 119 11:05:27 -1383.970255 7.987781 BFGS: 120 11:05:29 -1385.294444 7.970666 BFGS: 121 11:05:30 -1386.616652 7.953709 BFGS: 122 11:05:31 -1387.937155 7.935964 BFGS: 123 11:05:33 -1389.255851 7.918187 BFGS: 124 11:05:35 -1390.572926 7.900321 BFGS: 125 11:05:36 -1391.888531 7.883044 BFGS: 126 11:05:38 -1393.203090 7.865090 BFGS: 127 11:05:39 -1394.516000 7.847497 BFGS: 128 11:05:40 -1395.828231 7.829788 BFGS: 129 11:05:42 -1397.139247 7.812109 BFGS: 130 11:05:43 -1398.448394 7.794369 BFGS: 131 11:05:45 -1399.756961 7.776228 BFGS: 132 11:05:46 -1401.064078 7.757752 BFGS: 133 11:05:47 -1402.369747 7.739218 BFGS: 134 11:05:49 -1403.673498 7.720609 BFGS: 135 11:05:51 -1404.975450 7.702669 BFGS: 136 11:05:52 -1406.275380 7.684576 BFGS: 137 11:05:53 -1407.574854 7.665945 BFGS: 138 11:05:55 -1408.872490 7.647256 BFGS: 139 11:05:56 -1410.167424 7.628502 BFGS: 140 11:05:57 -1411.461239 7.609399 BFGS: 141 11:05:59 -1412.753614 7.590241 BFGS: 142 11:06:00 -1414.044672 7.571033 BFGS: 143 11:06:01 -1415.335419 7.551918 BFGS: 144 11:06:03 -1416.624576 7.532582 BFGS: 145 11:06:04 -1417.912518 7.513481 BFGS: 146 11:06:06 -1419.199825 7.495321 BFGS: 147 11:06:07 -1420.486873 7.475684 BFGS: 148 11:06:09 -1421.772341 7.455979 BFGS: 149 11:06:10 -1423.056764 7.436169 BFGS: 150 11:06:11 -1424.340370 7.416281 BFGS: 151 11:06:12 -1425.623325 7.396459 BFGS: 152 11:06:14 -1426.905567 7.377017 BFGS: 153 11:06:15 -1428.187805 7.357332 BFGS: 154 11:06:16 -1429.469223 7.337068 BFGS: 155 11:06:18 -1430.750997 7.316762 BFGS: 156 11:06:19 -1432.032339 7.296494 BFGS: 157 11:06:20 -1433.313655 7.276300 BFGS: 158 11:06:21 -1434.594860 7.256020 BFGS: 159 11:06:23 -1435.876563 7.235658 BFGS: 160 11:06:24 -1437.158404 7.215317 BFGS: 161 11:06:25 -1438.440170 7.194879 BFGS: 162 11:06:26 -1439.722080 7.174349 BFGS: 163 11:06:28 -1441.004299 7.153771 BFGS: 164 11:06:29 -1442.286739 7.133137 BFGS: 165 11:06:30 -1443.569336 7.112469 BFGS: 166 11:06:31 -1444.851398 7.091708 BFGS: 167 11:06:33 -1446.134397 7.071118 BFGS: 168 11:06:34 -1447.417099 7.050103 BFGS: 169 11:06:35 -1448.700989 7.029073 BFGS: 170 11:06:37 -1449.985498 7.008189 BFGS: 171 11:06:38 -1451.271858 6.993282 BFGS: 172 11:06:39 -1452.558403 6.980354 BFGS: 173 11:06:40 -1453.847172 6.966593 BFGS: 174 11:06:42 -1455.135990 6.952954 BFGS: 175 11:06:43 -1456.426854 6.939238 BFGS: 176 11:06:45 -1457.719191 6.925602 BFGS: 177 11:06:46 -1459.013354 6.911931 BFGS: 178 11:06:47 -1460.309306 6.898355 BFGS: 179 11:06:49 -1461.607627 6.885279 BFGS: 180 11:06:50 -1462.908255 6.872497 BFGS: 181 11:06:51 -1464.212530 6.859263 BFGS: 182 11:06:53 -1465.519544 6.845989 BFGS: 183 11:06:54 -1466.830335 6.832943 BFGS: 184 11:06:56 -1468.144106 6.819903 BFGS: 185 11:06:57 -1469.461850 6.808376 BFGS: 186 11:06:59 -1470.785447 6.795774 BFGS: 187 11:07:00 -1472.112902 6.783922 BFGS: 188 11:07:02 -1473.446984 6.773523 BFGS: 189 11:07:03 -1474.787232 6.762078 BFGS: 190 11:07:05 -1476.134377 6.750692 BFGS: 191 11:07:07 -1477.488979 6.739942 BFGS: 192 11:07:08 -1478.852712 6.728784 BFGS: 193 11:07:10 -1480.224822 6.718153 BFGS: 194 11:07:11 -1481.608106 6.708738 BFGS: 195 11:07:12 -1483.002704 6.699979 BFGS: 196 11:07:14 -1484.411354 6.692176 BFGS: 197 11:07:15 -1485.834029 6.691712 BFGS: 198 11:07:16 -1487.274852 6.692983 BFGS: 199 11:07:18 -1488.733908 6.694550 BFGS: 200 11:07:20 -1490.215938 6.698807 BFGS: 201 11:07:22 -1491.721154 6.704020 BFGS: 202 11:07:26 -1493.255387 6.710448 BFGS: 203 11:07:29 -1494.818484 6.718144 BFGS: 204 11:07:35 -1496.418420 6.729552 BFGS: 205 11:07:39 -1498.054867 6.741374 BFGS: 206 11:07:40 -1499.736352 6.756468 BFGS: 207 11:07:44 -1501.462268 6.773357 BFGS: 208 11:07:47 -1503.241579 6.793489 BFGS: 209 11:07:50 -1505.072647 6.816318 BFGS: 210 11:07:52 -1506.964246 6.842391 BFGS: 211 11:07:55 -1508.909803 6.870289 BFGS: 212 11:07:58 -1510.921350 6.903229 BFGS: 213 11:08:02 -1512.986528 6.936474 BFGS: 214 11:08:04 -1515.118375 6.974102 BFGS: 215 11:08:07 -1517.302256 7.010208 BFGS: 216 11:08:10 -1519.553516 7.052629 BFGS: 217 11:08:12 -1521.850042 7.093984 BFGS: 218 11:08:15 -1524.218596 7.141780 BFGS: 219 11:08:18 -1526.623296 7.186859 BFGS: 220 11:08:20 -1529.113638 7.241749 BFGS: 221 11:08:23 -1531.603557 7.287028 BFGS: 222 11:08:26 -1533.764635 7.300622 BFGS: 223 11:08:29 -1536.414241 7.361720 BFGS: 224 11:08:35 -1539.023270 7.416443 BFGS: 225 11:08:39 -1541.755333 7.480177 BFGS: 226 11:08:44 -1544.516672 7.542760 BFGS: 227 11:08:46 -1547.374026 7.624321 BFGS: 228 11:08:47 -1550.257801 7.708872 BFGS: 229 11:08:53 -1553.226619 7.802810 BFGS: 230 11:08:57 -1556.199029 7.890612 BFGS: 231 11:09:02 -1559.265511 7.990016 BFGS: 232 11:09:04 -1562.281790 8.079234 BFGS: 233 11:09:06 -1565.395139 8.182271 BFGS: 234 11:09:08 -1568.490930 8.280723 BFGS: 235 11:09:11 -1571.580067 8.380435 BFGS: 236 11:09:13 -1574.368363 8.481270 BFGS: 237 11:09:16 -1577.563138 8.563874 BFGS: 238 11:09:23 -1580.436183 8.635366 BFGS: 239 11:09:27 -1583.268769 8.703219 BFGS: 240 11:09:30 -1586.082062 8.769781 BFGS: 241 11:09:34 -1588.872124 8.835742 BFGS: 242 11:09:38 -1591.634692 8.899091 BFGS: 243 11:09:42 -1594.363903 8.960894 BFGS: 244 11:09:46 -1597.059072 9.020391 BFGS: 245 11:09:50 -1599.719238 9.079309 BFGS: 246 11:09:53 -1602.345128 9.135104 BFGS: 247 11:09:54 -1604.937152 9.190369 BFGS: 248 11:09:56 -1607.497930 9.243821 BFGS: 249 11:09:57 -1610.027301 9.294760 BFGS: 250 11:09:59 -1612.529583 9.345917 BFGS: 251 11:10:01 -1615.006639 9.394462 BFGS: 252 11:10:02 -1617.459075 9.442043 BFGS: 253 11:10:04 -1619.888781 9.489482 BFGS: 254 11:10:06 -1622.296446 9.535807 BFGS: 255 11:10:08 -1624.684262 9.580864 BFGS: 256 11:10:09 -1627.054065 9.624691 BFGS: 257 11:10:11 -1629.407056 9.668799 BFGS: 258 11:10:13 -1631.745420 9.713603 BFGS: 259 11:10:15 -1634.068297 9.757688 BFGS: 260 11:10:17 -1636.378935 9.801173 BFGS: 261 11:10:20 -1638.677917 9.843775 BFGS: 262 11:10:22 -1640.966633 9.886207 BFGS: 263 11:10:24 -1643.246192 9.927270 BFGS: 264 11:10:26 -1645.519183 9.968782 BFGS: 265 11:10:27 -1647.785131 10.009075 BFGS: 266 11:10:29 -1650.048013 10.049996 BFGS: 267 11:10:30 -1652.305320 10.090485 BFGS: 268 11:10:32 -1654.560879 10.130838 BFGS: 269 11:10:34 -1656.812457 10.170571 BFGS: 270 11:10:36 -1659.064023 10.209535 BFGS: 271 11:10:41 -1661.313153 10.248291 BFGS: 272 11:10:45 -1663.561979 10.286761 BFGS: 273 11:10:48 -1665.809798 10.325233 BFGS: 274 11:10:50 -1668.056928 10.363082 BFGS: 275 11:10:52 -1670.303322 10.400448 BFGS: 276 11:10:55 -1672.548691 10.437112 BFGS: 277 11:11:00 -1674.793871 10.472638 BFGS: 278 11:11:03 -1677.039006 10.507617 BFGS: 279 11:11:08 -1679.283822 10.542044 BFGS: 280 11:11:09 -1681.525531 10.575861 BFGS: 281 11:11:11 -1683.764384 10.608712 BFGS: 282 11:11:14 -1685.999561 10.640820 BFGS: 283 11:11:16 -1688.230915 10.671602 BFGS: 284 11:11:19 -1690.457610 10.701759 BFGS: 285 11:11:21 -1692.679701 10.729495 BFGS: 286 11:11:22 -1694.899235 10.757514 BFGS: 287 11:11:24 -1697.113791 10.784310 BFGS: 288 11:11:26 -1699.323562 10.811034 BFGS: 289 11:11:29 -1701.528291 10.835879 BFGS: 290 11:11:31 -1703.729089 10.860352 BFGS: 291 11:11:33 -1705.925226 10.883362 BFGS: 292 11:11:35 -1708.117408 10.905109 BFGS: 293 11:11:37 -1710.306621 10.926288 BFGS: 294 11:11:42 -1712.492505 10.945687 BFGS: 295 11:11:49 -1714.675370 10.964112 BFGS: 296 11:11:53 -1716.856275 10.981127 BFGS: 297 11:11:55 -1719.035162 10.997904 BFGS: 298 11:11:57 -1721.211884 11.013873 BFGS: 299 11:12:02 -1723.386150 11.028108 BFGS: 300 11:12:03 -1725.557723 11.040866 BFGS: 301 11:12:05 -1727.726825 11.052523 BFGS: 302 11:12:08 -1729.893335 11.062826 BFGS: 303 11:12:10 -1732.056768 11.070965 BFGS: 304 11:12:13 -1734.217850 11.078878 BFGS: 305 11:12:16 -1736.375034 11.086506 BFGS: 306 11:12:20 -1738.527658 11.091927 BFGS: 307 11:12:21 -1740.676283 11.097583 BFGS: 308 11:12:23 -1742.819254 11.100170 BFGS: 309 11:12:24 -1744.958079 11.102189 BFGS: 310 11:12:26 -1747.091680 11.102463 BFGS: 311 11:12:27 -1749.220037 11.102776 BFGS: 312 11:12:29 -1751.342836 11.101630 BFGS: 313 11:12:30 -1753.457263 11.098856 BFGS: 314 11:12:32 -1755.565454 11.094009 BFGS: 315 11:12:33 -1757.666086 11.089600 BFGS: 316 11:12:34 -1759.760355 11.082652 BFGS: 317 11:12:36 -1761.846936 11.075350 BFGS: 318 11:12:37 -1763.928269 11.066163 BFGS: 319 11:12:39 -1766.002931 11.056467 BFGS: 320 11:12:40 -1768.072380 11.045148 BFGS: 321 11:12:41 -1770.134518 11.033410 BFGS: 322 11:12:43 -1772.192418 11.020857 BFGS: 323 11:12:44 -1774.244806 11.007464 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-2354.674404 58.723705 BFGS: 657 11:25:41 -2356.344762 58.853797 BFGS: 658 11:25:43 -2358.014852 58.983670 BFGS: 659 11:25:44 -2359.684024 59.100583 BFGS: 660 11:25:46 -2361.354787 59.210213 BFGS: 661 11:25:47 -2363.024904 59.312554 BFGS: 662 11:25:50 -2364.695283 59.397942 BFGS: 663 11:25:52 -2366.368175 59.480928 BFGS: 664 11:25:53 -2368.038934 59.543245 BFGS: 665 11:25:55 -2369.709903 59.609472 BFGS: 666 11:25:57 -2371.379270 59.658517 BFGS: 667 11:25:58 -2373.046196 59.706682 BFGS: 668 11:26:00 -2374.712617 59.743688 BFGS: 669 11:26:02 -2376.374256 59.772730 BFGS: 670 11:26:03 -2378.037768 59.800649 BFGS: 671 11:26:05 -2379.692715 59.816337 BFGS: 672 11:26:06 -2381.352360 59.833756 BFGS: 673 11:26:08 -2383.009286 59.832944 BFGS: 674 11:26:09 -2384.674497 59.832340 BFGS: 675 11:26:10 -2386.334340 59.812782 BFGS: 676 11:26:12 -2388.002748 59.795359 BFGS: 677 11:26:13 -2389.666346 59.762119 BFGS: 678 11:26:15 -2391.336058 59.728990 BFGS: 679 11:26:16 -2392.999836 59.686969 BFGS: 680 11:26:17 -2394.667179 59.644398 BFGS: 681 11:26:19 -2396.328307 59.600557 BFGS: 682 11:26:20 -2397.998696 59.546051 BFGS: 683 11:26:21 -2399.661978 59.490470 BFGS: 684 11:26:23 -2401.330434 59.431779 BFGS: 685 11:26:24 -2402.992690 59.368833 BFGS: 686 11:26:25 -2404.662017 59.304148 BFGS: 687 11:26:26 -2406.322511 59.235296 BFGS: 688 11:26:28 -2407.987828 59.170570 BFGS: 689 11:26:29 -2409.650586 59.095196 BFGS: 690 11:26:30 -2411.317311 59.018681 BFGS: 691 11:26:32 -2412.982013 58.935805 BFGS: 692 11:26:33 -2414.649018 58.850039 BFGS: 693 11:26:34 -2416.312563 58.762835 BFGS: 694 11:26:35 -2417.972790 58.679807 BFGS: 695 11:26:37 -2419.632982 58.592016 BFGS: 696 11:26:38 -2421.287490 58.510064 BFGS: 697 11:26:39 -2422.942944 58.420796 BFGS: 698 11:26:40 -2424.593338 58.341278 BFGS: 699 11:26:42 -2426.246092 58.248435 BFGS: 700 11:26:43 -2427.892286 58.168695 BFGS: 701 11:26:44 -2429.543421 58.066374 BFGS: 702 11:26:45 -2431.184405 57.989640 BFGS: 703 11:26:47 -2432.832968 57.877069 BFGS: 704 11:26:48 -2434.467424 57.799495 BFGS: 705 11:26:51 -2436.113066 57.688837 BFGS: 706 11:26:54 -2437.744563 57.600602 BFGS: 707 11:26:56 -2439.384906 57.500477 BFGS: 708 11:26:59 -2441.013700 57.403745 BFGS: 709 11:27:01 -2442.648223 57.309561 BFGS: 710 11:27:04 -2444.278293 57.200583 BFGS: 711 11:27:06 -2445.909601 57.105088 BFGS: 712 11:27:08 -2447.541724 56.991036 BFGS: 713 11:27:09 -2449.170786 56.888033 BFGS: 714 11:27:11 -2450.804497 56.779598 BFGS: 715 11:27:12 -2452.430828 56.666777 BFGS: 716 11:27:14 -2454.070785 56.560632 BFGS: 717 11:27:15 -2455.694361 56.440526 BFGS: 718 11:27:17 -2457.341014 56.328769 BFGS: 719 11:27:18 -2458.959683 56.218332 BFGS: 720 11:27:20 -2460.612226 56.083659 BFGS: 721 11:27:21 -2462.238182 55.983428 BFGS: 722 11:27:23 -2463.886073 55.838258 BFGS: 723 11:27:24 -2465.523070 55.733714 BFGS: 724 11:27:25 -2467.167483 55.592598 BFGS: 725 11:27:27 -2468.810845 55.483107 BFGS: 726 11:27:28 -2470.459928 55.340624 BFGS: 727 11:27:29 -2472.109349 55.224984 BFGS: 728 11:27:31 -2473.761811 55.084595 BFGS: 729 11:27:32 -2475.418336 54.959266 BFGS: 730 11:27:34 -2477.077675 54.815682 BFGS: 731 11:27:35 -2478.739708 54.681160 BFGS: 732 11:27:36 -2480.403308 54.535401 BFGS: 733 11:27:37 -2482.070616 54.391101 BFGS: 734 11:27:39 -2483.737769 54.245710 BFGS: 735 11:27:40 -2485.408859 54.093590 BFGS: 736 11:27:41 -2487.078950 53.946288 BFGS: 737 11:27:43 -2488.752663 53.789411 BFGS: 738 11:27:44 -2490.425881 53.641302 BFGS: 739 11:27:45 -2492.099861 53.478405 BFGS: 740 11:27:47 -2493.774851 53.327239 BFGS: 741 11:27:48 -2495.446629 53.160627 BFGS: 742 11:27:52 -2497.123744 53.005542 BFGS: 743 11:27:55 -2498.791270 52.842769 BFGS: 744 11:27:57 -2500.474171 52.668474 BFGS: 745 11:28:00 -2502.134301 52.521524 BFGS: 746 11:28:03 -2503.819083 52.322155 BFGS: 747 11:28:05 -2505.478916 52.188316 BFGS: 748 11:28:08 -2507.159378 51.973608 BFGS: 749 11:28:11 -2508.824492 51.834220 BFGS: 750 11:28:14 -2510.499414 51.619690 BFGS: 751 11:28:17 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11:29:03 -2551.449387 45.958372 BFGS: 776 11:29:05 -2553.091661 45.656806 BFGS: 777 11:29:06 -2554.721180 45.364292 BFGS: 778 11:29:07 -2556.366877 45.042296 BFGS: 779 11:29:08 -2558.001437 44.736598 BFGS: 780 11:29:09 -2559.646544 44.397180 BFGS: 781 11:29:11 -2561.287001 44.075843 BFGS: 782 11:29:12 -2562.931051 43.722724 BFGS: 783 11:29:13 -2564.573809 43.377980 BFGS: 784 11:29:14 -2566.216681 43.008734 BFGS: 785 11:29:15 -2567.858710 42.640477 BFGS: 786 11:29:17 -2569.499074 42.257699 BFGS: 787 11:29:18 -2571.136657 41.869124 BFGS: 788 11:29:20 -2572.772681 41.470971 BFGS: 789 11:29:21 -2574.406779 41.067204 BFGS: 790 11:29:24 -2576.038258 40.657518 BFGS: 791 11:29:26 -2577.668294 40.348700 BFGS: 792 11:29:27 -2579.294336 40.320036 BFGS: 793 11:29:29 -2580.919954 40.322916 BFGS: 794 11:29:30 -2582.542463 40.286316 BFGS: 795 11:29:31 -2584.163675 40.278679 BFGS: 796 11:29:33 -2585.781535 40.235119 BFGS: 797 11:29:34 -2587.397136 40.220095 BFGS: 798 11:29:35 -2589.009104 40.170244 BFGS: 799 11:29:37 -2590.617706 40.149096 BFGS: 800 11:29:39 -2592.222237 40.089101 BFGS: 801 11:29:40 -2593.823011 40.063314 BFGS: 802 11:29:41 -2595.418401 39.986763 BFGS: 803 11:29:43 -2597.010691 39.961193 BFGS: 804 11:29:44 -2598.594793 39.859706 BFGS: 805 11:29:45 -2600.177213 39.840372 BFGS: 806 11:29:47 -2601.747675 39.706962 BFGS: 807 11:29:48 -2603.320198 39.697612 BFGS: 808 11:29:50 -2604.874351 39.544592 BFGS: 809 11:29:51 -2606.433381 39.501917 BFGS: 810 11:29:53 -2607.974757 39.379088 BFGS: 811 11:29:54 -2609.515441 39.274394 BFGS: 812 11:29:55 -2611.044989 39.174378 BFGS: 813 11:29:56 -2612.566698 39.036037 BFGS: 814 11:29:58 -2614.083661 38.912284 BFGS: 815 11:29:59 -2615.587722 38.788377 BFGS: 816 11:30:00 -2617.089448 38.606349 BFGS: 817 11:30:01 -2618.579230 38.502535 BFGS: 818 11:30:02 -2620.065223 38.289789 BFGS: 819 11:30:04 -2621.544179 38.167590 BFGS: 820 11:30:06 -2623.017052 37.954713 BFGS: 821 11:30:08 -2624.489100 37.800405 BFGS: 822 11:30:09 -2625.955004 37.593087 BFGS: 823 11:30:10 -2627.424110 37.410076 BFGS: 824 11:30:11 -2628.889088 37.209077 BFGS: 825 11:30:13 -2630.359418 37.004047 BFGS: 826 11:30:14 -2631.827851 36.805828 BFGS: 827 11:30:16 -2633.301737 36.594827 BFGS: 828 11:30:17 -2634.778874 36.387468 BFGS: 829 11:30:19 -2636.258322 36.191230 BFGS: 830 11:30:20 -2637.745676 35.959609 BFGS: 831 11:30:22 -2639.232058 35.794841 BFGS: 832 11:30:23 -2640.728252 35.541076 BFGS: 833 11:30:24 -2642.221630 35.408609 BFGS: 834 11:30:26 -2643.722109 35.142488 BFGS: 835 11:30:27 -2645.221443 35.020662 BFGS: 836 11:30:29 -2646.723363 34.774413 BFGS: 837 11:30:30 -2648.226730 34.643512 BFGS: 838 11:30:32 -2649.727233 34.428726 BFGS: 839 11:30:33 -2651.232061 34.297733 BFGS: 840 11:30:34 -2652.729073 34.099111 BFGS: 841 11:30:35 -2654.231055 33.975518 BFGS: 842 11:30:36 -2655.724026 33.788400 BFGS: 843 11:30:37 -2657.218720 33.670090 BFGS: 844 11:30:38 -2658.705824 33.494796 BFGS: 845 11:30:40 -2660.192145 33.382519 BFGS: 846 11:30:41 -2661.670790 33.214014 BFGS: 847 11:30:42 -2663.148018 33.104482 BFGS: 848 11:30:43 -2664.616732 32.948513 BFGS: 849 11:30:44 -2666.084027 32.830154 BFGS: 850 11:30:45 -2667.540755 32.691581 BFGS: 851 11:30:46 -2668.996500 32.800905 BFGS: 852 11:30:48 -2670.441057 32.845998 BFGS: 853 11:30:49 -2671.882463 32.924015 BFGS: 854 11:30:51 -2673.312975 32.961801 BFGS: 855 11:30:52 -2674.739099 33.010592 BFGS: 856 11:30:54 -2676.156133 33.042216 BFGS: 857 11:30:55 -2677.565333 33.062211 BFGS: 858 11:30:57 -2678.968086 33.084542 BFGS: 859 11:30:59 -2680.358084 33.079649 BFGS: 860 11:31:01 -2681.741474 33.087538 BFGS: 861 11:31:02 -2683.093404 33.060297 BFGS: 862 11:31:04 -2684.399026 33.050842 BFGS: 863 11:31:06 -2685.631489 33.006880 BFGS: 864 11:31:08 -2686.755618 32.966466 BFGS: 865 11:31:10 -2687.723834 32.910554 BFGS: 866 11:31:11 -2689.411048 32.863342 BFGS: 867 11:31:13 -2690.917023 32.841344 BFGS: 868 11:31:15 -2692.388826 32.833307 BFGS: 869 11:31:17 -2693.852752 32.816044 BFGS: 870 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12:02:40 -3817.508093 7.532387 BFGS: 1969 12:02:42 -3817.710460 7.519390 BFGS: 1970 12:02:43 -3817.922995 7.496109 BFGS: 1971 12:02:44 -3818.136163 7.479318 BFGS: 1972 12:02:46 -3818.360339 7.452866 BFGS: 1973 12:02:47 -3818.587890 7.432876 BFGS: 1974 12:02:49 -3818.830871 7.401424 BFGS: 1975 12:02:50 -3819.081324 7.376442 BFGS: 1976 12:02:51 -3819.351818 7.337821 BFGS: 1977 12:02:53 -3819.636532 7.304736 BFGS: 1978 12:02:54 -3819.950699 7.254872 BFGS: 1979 12:02:55 -3820.289660 7.208861 BFGS: 1980 12:02:57 -3820.673769 7.140997 BFGS: 1981 12:02:58 -3821.107361 7.073377 BFGS: 1982 12:02:59 -3821.608785 6.969356 BFGS: 1983 12:03:01 -3822.166976 6.867408 BFGS: 1984 12:03:03 -3822.812277 6.710732 BFGS: 1985 12:03:05 -3823.617547 6.943311 BFGS: 1986 12:03:07 -3824.324534 7.231887 BFGS: 1987 12:03:09 -3824.843021 7.510978 BFGS: 1988 12:03:12 -3825.267275 7.586035 BFGS: 1989 12:03:14 -3825.674457 7.694279 BFGS: 1990 12:03:16 -3826.056544 7.719625 BFGS: 1991 12:03:19 -3826.438484 7.765446 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6.357187 BFGS: 2016 12:04:22 -3836.833050 6.219905 BFGS: 2017 12:04:24 -3837.265539 6.074311 BFGS: 2018 12:04:26 -3837.709781 5.916850 BFGS: 2019 12:04:27 -3838.121610 5.754065 BFGS: 2020 12:04:28 -3838.554858 5.572570 BFGS: 2021 12:04:30 -3838.932019 5.393091 BFGS: 2022 12:04:32 -3839.351778 5.180779 BFGS: 2023 12:04:34 -3839.672977 4.988993 BFGS: 2024 12:04:37 -3840.068267 4.732763 BFGS: 2025 12:04:39 -3840.323402 4.533981 BFGS: 2026 12:04:41 -3840.610372 4.278455 BFGS: 2027 12:04:44 -3840.820306 4.064075 BFGS: 2028 12:04:46 -3841.012543 3.818745 BFGS: 2029 12:04:48 -3841.177344 3.618460 BFGS: 2030 12:04:54 -3841.320611 3.385820 BFGS: 2031 12:04:56 -3841.446185 3.266208 BFGS: 2032 12:04:58 -3841.573177 3.137341 BFGS: 2033 12:05:00 -3841.675183 3.113301 BFGS: 2034 12:05:02 -3841.774333 3.109932 BFGS: 2035 12:05:04 -3841.863280 3.145306 BFGS: 2036 12:05:06 -3841.948325 3.236306 BFGS: 2037 12:05:07 -3842.025085 3.370598 BFGS: 2038 12:05:09 -3842.096314 3.513313 BFGS: 2039 12:05:11 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12:11:18 -3871.231504 4.837334 BFGS: 2254 12:11:20 -3871.407675 4.795162 BFGS: 2255 12:11:21 -3871.593684 4.810589 BFGS: 2256 12:11:22 -3871.776325 4.717510 BFGS: 2257 12:11:24 -3871.934429 4.777842 BFGS: 2258 12:11:25 -3872.098688 4.712009 BFGS: 2259 12:11:27 -3872.277619 4.700935 BFGS: 2260 12:11:28 -3872.421697 4.687167 BFGS: 2261 12:11:29 -3872.568645 4.620159 BFGS: 2262 12:11:31 -3872.690832 4.591613 BFGS: 2263 12:11:32 -3872.811303 4.490027 BFGS: 2264 12:11:34 -3872.917987 4.450583 BFGS: 2265 12:11:35 -3873.020368 4.321571 BFGS: 2266 12:11:37 -3873.122028 4.253918 BFGS: 2267 12:11:38 -3873.228330 4.111511 BFGS: 2268 12:11:40 -3873.351928 4.011611 BFGS: 2269 12:11:41 -3873.482342 3.868825 BFGS: 2270 12:11:43 -3873.599123 3.837716 BFGS: 2271 12:11:45 -3873.681935 3.811785 BFGS: 2272 12:11:46 -3873.753413 3.884690 BFGS: 2273 12:11:48 -3873.838199 3.952188 BFGS: 2274 12:11:49 -3873.970337 4.039380 BFGS: 2275 12:11:51 -3874.105376 4.054912 BFGS: 2276 12:11:53 -3874.261859 4.069916 BFGS: 2277 12:11:54 -3874.490996 4.031994 BFGS: 2278 12:11:56 -3874.668207 4.115366 BFGS: 2279 12:11:57 -3874.822939 4.121547 BFGS: 2280 12:11:59 -3874.951024 4.149049 BFGS: 2281 12:12:00 -3875.075076 4.150515 BFGS: 2282 12:12:02 -3875.199624 4.152684 BFGS: 2283 12:12:03 -3875.326348 4.142356 BFGS: 2284 12:12:05 -3875.455563 4.129623 BFGS: 2285 12:12:06 -3875.587972 4.107908 BFGS: 2286 12:12:08 -3875.722178 4.081649 BFGS: 2287 12:12:10 -3875.860060 4.048041 BFGS: 2288 12:12:11 -3875.996385 4.009337 BFGS: 2289 12:12:13 -3876.126771 3.966225 BFGS: 2290 12:12:15 -3876.252823 3.918562 BFGS: 2291 12:12:16 -3876.376932 3.866710 BFGS: 2292 12:12:18 -3876.499970 3.809861 BFGS: 2293 12:12:20 -3876.625096 3.746365 BFGS: 2294 12:12:26 -3876.753272 3.673787 BFGS: 2295 12:12:29 -3876.887121 3.591498 BFGS: 2296 12:12:32 -3877.032797 3.486923 BFGS: 2297 12:12:34 -3877.198552 3.334887 BFGS: 2298 12:12:36 -3877.330854 3.185934 BFGS: 2299 12:12:41 -3877.464734 3.077446 BFGS: 2300 12:12:45 -3877.583074 2.995536 BFGS: 2301 12:12:48 -3877.695257 2.941940 BFGS: 2302 12:12:56 -3877.813074 2.878962 BFGS: 2303 12:13:00 -3877.941478 2.819971 BFGS: 2304 12:13:05 -3878.088322 2.742880 BFGS: 2305 12:13:09 -3878.262120 2.662322 BFGS: 2306 12:13:14 -3878.471772 2.560631 BFGS: 2307 12:13:19 -3878.734078 2.456169 BFGS: 2308 12:13:22 -3879.027732 2.335897 BFGS: 2309 12:13:26 -3879.304295 2.241187 BFGS: 2310 12:13:30 -3879.583992 2.141487 BFGS: 2311 12:13:34 -3879.880106 2.046810 BFGS: 2312 12:13:38 -3880.211201 1.932059 BFGS: 2313 12:13:42 -3880.572793 1.809762 BFGS: 2314 12:13:45 -3880.946346 1.662237 BFGS: 2315 12:13:49 -3881.221744 1.579769 BFGS: 2316 12:13:53 -3881.435624 1.535324 BFGS: 2317 12:13:57 -3881.581294 1.631279 BFGS: 2318 12:14:00 -3881.695027 1.652489 BFGS: 2319 12:14:05 -3881.781779 1.682924 BFGS: 2320 12:14:09 -3881.847298 1.661899 BFGS: 2321 12:14:13 -3881.899575 1.622562 BFGS: 2322 12:14:16 -3881.944952 1.565485 BFGS: 2323 12:14:18 -3881.987293 1.500742 BFGS: 2324 12:14:20 -3882.027671 1.506156 BFGS: 2325 12:14:22 -3882.067858 1.593504 BFGS: 2326 12:14:24 -3882.108180 1.685907 BFGS: 2327 12:14:26 -3882.148826 1.778462 BFGS: 2328 12:14:28 -3882.189263 1.871695 BFGS: 2329 12:14:30 -3882.228986 1.960756 BFGS: 2330 12:14:33 -3882.268256 2.051828 BFGS: 2331 12:14:35 -3882.307788 2.144133 BFGS: 2332 12:14:36 -3882.353921 2.237147 BFGS: 2333 12:14:38 -3882.412602 2.341769 BFGS: 2334 12:14:40 -3882.485879 2.444363 BFGS: 2335 12:14:42 -3882.581062 2.565749 BFGS: 2336 12:14:43 -3882.701420 2.671050 BFGS: 2337 12:14:45 -3882.860400 2.816505 BFGS: 2338 12:14:47 -3883.054158 2.908310 BFGS: 2339 12:14:48 -3883.325572 3.133438 BFGS: 2340 12:14:51 -3883.641929 3.191361 BFGS: 2341 12:14:53 -3884.034312 3.367334 BFGS: 2342 12:14:56 -3884.653923 3.601589 BFGS: 2343 12:14:58 -3885.438322 3.816009 BFGS: 2344 12:15:01 -3886.240516 4.084643 BFGS: 2345 12:15:03 -3887.084895 4.348538 BFGS: 2346 12:15:05 -3887.819060 4.676340 BFGS: 2347 12:15:07 -3887.084243 8.980165 BFGS: 2348 12:15:10 -3888.715895 7.028149 BFGS: 2349 12:15:12 -3889.927870 5.749725 BFGS: 2350 12:15:14 -3891.091542 5.018527 BFGS: 2351 12:15:16 -3892.237720 5.362614 BFGS: 2352 12:15:18 -3893.409423 5.744152 BFGS: 2353 12:15:21 -3894.587070 6.057191 BFGS: 2354 12:15:23 -3895.763314 6.441449 BFGS: 2355 12:15:28 -3896.910495 6.706171 BFGS: 2356 12:15:31 -3897.867112 7.023558 BFGS: 2357 12:15:34 -3898.859011 7.235438 BFGS: 2358 12:15:38 -3899.524651 7.414243 BFGS: 2359 12:15:41 -3900.194140 7.532024 BFGS: 2360 12:15:44 -3900.694376 7.594192 BFGS: 2361 12:15:48 -3901.213870 7.649015 BFGS: 2362 12:15:50 -3901.634629 7.618297 BFGS: 2363 12:15:53 -3902.088465 7.626782 BFGS: 2364 12:15:56 -3902.471797 7.522771 BFGS: 2365 12:15:59 -3902.880487 7.465906 BFGS: 2366 12:16:02 -3903.251893 7.294787 BFGS: 2367 12:16:05 -3903.632280 7.144961 BFGS: 2368 12:16:08 -3903.999765 6.835827 BFGS: 2369 12:16:11 -3904.340225 6.522742 BFGS: 2370 12:16:14 -3904.534295 6.006052 BFGS: 2371 12:16:16 -3904.691734 5.904315 BFGS: 2372 12:16:18 -3904.816136 5.862560 BFGS: 2373 12:16:20 -3904.918698 5.865062 BFGS: 2374 12:16:22 -3905.014883 5.862361 BFGS: 2375 12:16:24 -3905.091093 5.892820 BFGS: 2376 12:16:26 -3905.159767 5.886781 BFGS: 2377 12:16:28 -3905.213673 5.912635 BFGS: 2378 12:16:30 -3905.259088 5.899783 BFGS: 2379 12:16:32 -3905.295327 5.896829 BFGS: 2380 12:16:33 -3905.319796 5.866300 BFGS: 2381 12:16:35 -3905.344122 5.802084 BFGS: 2382 12:16:37 -3905.362412 5.766640 BFGS: 2383 12:16:39 -3905.376497 5.696243 BFGS: 2384 12:16:40 -3905.394816 5.681000 BFGS: 2385 12:16:42 -3905.420888 5.599257 BFGS: 2386 12:16:44 -3905.462028 5.574884 BFGS: 2387 12:16:46 -3905.528598 5.523458 BFGS: 2388 12:16:48 -3905.642870 5.506194 BFGS: 2389 12:16:49 -3905.827385 5.484616 BFGS: 2390 12:16:51 -3906.248965 5.490411 BFGS: 2391 12:16:53 -3906.780809 5.422343 BFGS: 2392 12:16:55 -3907.154929 5.409201 BFGS: 2393 12:16:57 -3907.484783 5.346140 BFGS: 2394 12:16:58 -3907.825703 5.280384 BFGS: 2395 12:17:00 -3908.208383 5.173949 BFGS: 2396 12:17:02 -3908.660502 5.042095 BFGS: 2397 12:17:04 -3909.196563 4.848801 BFGS: 2398 12:17:05 -3909.844481 4.591656 BFGS: 2399 12:17:07 -3910.533366 4.270872 BFGS: 2400 12:17:09 -3911.250182 3.894397 BFGS: 2401 12:17:11 -3912.000940 3.618744 BFGS: 2402 12:17:12 -3912.763202 3.383630 BFGS: 2403 12:17:14 -3913.530092 2.999151 BFGS: 2404 12:17:16 -3913.947961 2.652049 BFGS: 2405 12:17:17 -3914.234602 2.319782 BFGS: 2406 12:17:19 -3914.467360 2.182027 BFGS: 2407 12:17:21 -3914.664685 2.161218 BFGS: 2408 12:17:23 -3914.822162 2.203459 BFGS: 2409 12:17:25 -3914.908413 2.202985 BFGS: 2410 12:17:27 -3914.928315 2.179820 BFGS: 2411 12:17:28 -3914.951408 2.063729 BFGS: 2412 12:17:31 -3914.957413 2.053307 BFGS: 2413 12:17:38 -3914.962445 2.009641 BFGS: 2414 12:17:43 -3914.965495 1.997119 BFGS: 2415 12:17:44 -3914.967455 1.980712 BFGS: 2416 12:17:46 -3914.970179 1.973521 BFGS: 2417 12:17:47 -3914.974523 1.941703 BFGS: 2418 12:17:49 -3914.981696 1.928049 BFGS: 2419 12:17:50 -3914.992352 1.884680 BFGS: 2420 12:17:52 -3915.008601 1.868441 BFGS: 2421 12:17:53 -3915.035214 1.820437 BFGS: 2422 12:17:55 -3915.080295 1.794809 BFGS: 2423 12:17:56 -3915.155847 1.713560 BFGS: 2424 12:17:58 -3915.270135 1.648086 BFGS: 2425 12:17:59 -3915.421390 1.487552 BFGS: 2426 12:18:01 -3915.584657 1.338637 BFGS: 2427 12:18:03 -3915.778981 1.039447 BFGS: 2428 12:18:04 -3915.943236 0.795584 BFGS: 2429 12:18:05 -3916.077213 0.568822 BFGS: 2430 12:18:07 -3916.147622 0.536476 BFGS: 2431 12:18:08 -3916.191755 0.504695 BFGS: 2432 12:18:10 -3916.217597 0.505090 BFGS: 2433 12:18:11 -3916.223334 0.507947 BFGS: 2434 12:18:13 -3916.225931 0.522117 BFGS: 2435 12:18:14 -3916.226451 0.517228 BFGS: 2436 12:18:15 -3916.226683 0.511297 BFGS: 2437 12:18:17 -3916.226806 0.510509 BFGS: 2438 12:18:18 -3916.226880 0.508042 BFGS: 2439 12:18:20 -3916.226929 0.509493 BFGS: 2440 12:18:21 -3916.226963 0.509738 BFGS: 2441 12:18:23 -3916.226991 0.511136 BFGS: 2442 12:18:24 -3916.227028 0.511818 BFGS: 2443 12:18:26 -3916.227101 0.513485 BFGS: 2444 12:18:27 -3916.227258 0.514683 BFGS: 2445 12:18:29 -3916.227605 0.516759 BFGS: 2446 12:18:31 -3916.228363 0.516520 BFGS: 2447 12:18:32 -3916.230002 0.512490 BFGS: 2448 12:18:34 -3916.233424 0.498154 BFGS: 2449 12:18:35 -3916.239911 0.455619 BFGS: 2450 12:18:37 -3916.251093 0.366562 BFGS: 2451 12:18:38 -3916.265267 0.257746 BFGS: 2452 12:18:40 -3916.277724 0.182959 BFGS: 2453 12:18:41 -3916.284744 0.112722 BFGS: 2454 12:18:43 -3916.287819 0.082622 BFGS: 2455 12:18:44 -3916.289083 0.059330 BFGS: 2456 12:18:46 -3916.289497 0.038797 BFGS: 2457 12:18:47 -3916.289606 0.034433 BFGS: 2458 12:18:49 -3916.289644 0.033564 BFGS: 2459 12:18:50 -3916.289666 0.032608 BFGS: 2460 12:18:52 -3916.289681 0.031277 BFGS: 2461 12:18:53 -3916.289691 0.030569 BFGS: 2462 12:18:54 -3916.289699 0.030303 BFGS: 2463 12:18:56 -3916.289704 0.030268 BFGS: 2464 12:18:58 -3916.289707 0.030308 BFGS: 2465 12:18:59 -3916.289709 0.030716 BFGS: 2466 12:19:01 -3916.289710 0.031197 BFGS: 2467 12:19:03 -3916.289711 0.031445 BFGS: 2468 12:19:05 -3916.289711 0.031435 BFGS: 2469 12:19:07 -3916.289711 0.031276 BFGS: 2470 12:19:09 -3916.289712 0.031100 BFGS: 2471 12:19:10 -3916.289712 0.030922 BFGS: 2472 12:19:12 -3916.289712 0.030835 BFGS: 2473 12:19:13 -3916.289712 0.030781 BFGS: 2474 12:19:14 -3916.289712 0.030786 BFGS: 2475 12:19:16 -3916.289712 0.030817 BFGS: 2476 12:19:18 -3916.289712 0.030832 BFGS: 2477 12:19:19 -3916.289712 0.030857 BFGS: 2478 12:19:20 -3916.289712 0.030848 BFGS: 2479 12:19:21 -3916.289712 0.030839 BFGS: 2480 12:19:22 -3916.289712 0.030834 BFGS: 2481 12:19:24 -3916.289712 0.030829 BFGS: 2482 12:19:25 -3916.289712 0.030830 BFGS: 2483 12:19:26 -3916.289712 0.030833 BFGS: 2484 12:19:27 -3916.289712 0.030833 BFGS: 2485 12:19:28 -3916.289712 0.030835 BFGS: 2486 12:19:29 -3916.289712 0.030836 BFGS: 2487 12:19:31 -3916.289712 0.030838 BFGS: 2488 12:19:32 -3916.289712 0.030839 BFGS: 2489 12:19:33 -3916.289712 0.030842 BFGS: 2490 12:19:34 -3916.289712 0.030844 BFGS: 2491 12:19:38 -3916.289712 0.030848 BFGS: 2492 12:19:42 -3916.289712 0.030852 BFGS: 2493 12:19:44 -3916.289712 0.030856 BFGS: 2494 12:19:46 -3916.289712 0.030861 BFGS: 2495 12:19:50 -3916.289712 0.030864 BFGS: 2496 12:19:52 -3916.289712 0.030861 BFGS: 2497 12:19:53 -3916.289712 0.030845 BFGS: 2498 12:19:55 -3916.289713 0.030798 BFGS: 2499 12:19:56 -3916.289714 0.030683 BFGS: 2500 12:19:58 -3916.289718 0.030423 BFGS: 2501 12:19:59 -3916.289728 0.029851 BFGS: 2502 12:20:00 -3916.289753 0.028978 BFGS: 2503 12:20:01 -3916.289812 0.030140 BFGS: 2504 12:20:03 -3916.289943 0.035351 BFGS: 2505 12:20:06 -3916.290190 0.039371 BFGS: 2506 12:20:07 -3916.290524 0.036023 BFGS: 2507 12:20:09 -3916.290751 0.018905 BFGS: 2508 12:20:10 -3916.290813 0.007273 BFGS: 2509 12:20:12 -3916.290825 0.002956 BFGS: 2510 12:20:13 -3916.290827 0.002269 BFGS: 2511 12:20:15 -3916.290827 0.001028 BFGS: 2512 12:20:16 -3916.290827 0.000171 BFGS: 2513 12:20:17 -3916.290827 0.000084 BFGS: 2514 12:20:19 -3916.290827 0.000020 BFGS: 2515 12:20:20 -3916.290827 0.000009 BFGS: 2516 12:20:22 -3916.290827 0.000004 BFGS: 2517 12:20:24 -3916.290827 0.000002 BFGS: 2518 12:20:25 -3916.290827 0.000001 BFGS: 2519 12:20:27 -3916.290827 0.000000 BFGS: 2520 12:20:29 -3916.290827 0.000000 BFGS: 2521 12:20:30 -3916.290827 0.000000 BFGS: 2522 12:20:32 -3916.290827 0.000000 BFGS: 2523 12:20:34 -3916.290827 0.000000 BFGS: 2524 12:20:35 -3916.290827 0.000000 BFGS: 2525 12:20:37 -3916.290827 0.000000 Minimization converged after 2525 steps. Maximum force component: 8.319085914771948e-09 eV/Angstrom Maximum stress component: 1.5998729040182233e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0. 0.61050015 0.25 ] [0.5 0.11050015 0.25 ] [1. 0.38949985 0.75 ] [0.5 0.88949985 0.75 ] [0.35532981 0.95272855 0.41383414] [0.64467019 0.95272855 0.08616586] [0.85532981 0.45272855 0.41383414] [0.14467019 0.45272855 0.08616586] [0.64467019 0.04727145 0.58616586] [0.35532981 0.04727145 0.91383414] [0.14467019 0.54727145 0.58616586] [0.85532981 0.54727145 0.91383414] [0.18634498 0.96279877 0.662013 ] [0.81365502 0.96279877 0.837987 ] [0.68634498 0.46279877 0.662013 ] [0.31365502 0.46279877 0.837987 ] [0.81365502 0.03720123 0.337987 ] [0.18634498 0.03720123 0.162013 ] [0.31365502 0.53720123 0.337987 ] [0.68634498 0.53720123 0.162013 ] [0.2936877 0.77737364 0.74087557] [0.7063123 0.77737364 0.75912443] [0.7936877 0.27737364 0.74087557] [0.2063123 0.27737364 0.75912443] [0.7063123 0.22262636 0.25912443] [0.2936877 0.22262636 0.24087557] [0.2063123 0.72262636 0.25912443] [0.7936877 0.72262636 0.24087557] [0.14791664 0.87374698 0.31317036] [0.85208336 0.87374698 0.18682964] [0.64791664 0.37374698 0.31317036] [0.35208336 0.37374698 0.18682964] [0.85208336 0.12625302 0.68682964] [0.14791664 0.12625302 0.81317036] [0.35208336 0.62625302 0.68682964] [0.64791664 0.62625302 0.81317036] [0.58675473 0.38248879 0.63238661] [0.41324527 0.38248879 0.86761339] [0.08675473 0.88248879 0.63238661] [0.91324527 0.88248879 0.86761339] [0.41324527 0.61751121 0.36761339] [0.58675473 0.61751121 0.13238661] [0.91324527 0.11751121 0.36761339] [0.08675473 0.11751121 0.13238661] [0.4815739 0.21550283 0.57211776] [0.5184261 0.21550283 0.92788224] [0.9815739 0.71550283 0.57211776] [0.0184261 0.71550283 0.92788224] [0.5184261 0.78449717 0.42788224] [0.4815739 0.78449717 0.07211776] [0.0184261 0.28449717 0.42788224] [0.9815739 0.28449717 0.07211776] [0.78473552 0.86438035 0.51219348] [0.21526448 0.86438035 0.98780652] [0.28473552 0.36438035 0.51219348] [0.71526448 0.36438035 0.98780652] [0.21526448 0.13561965 0.48780652] [0.78473552 0.13561965 0.01219348] [0.71526448 0.63561965 0.48780652] [0.28473552 0.63561965 0.01219348] [0.37981605 0.73412165 0.01880134] [0.62018395 0.73412165 0.48119866] [0.87981605 0.23412165 0.01880134] [0.12018395 0.23412165 0.48119866] [0.62018395 0.26587835 0.98119866] [0.37981605 0.26587835 0.51880134] [0.12018395 0.76587835 0.98119866] [0.87981605 0.76587835 0.51880134] [0.75208097 0.38005688 0.39322459] [0.24791903 0.38005688 0.10677541] [0.25208097 0.88005688 0.39322459] [0.74791903 0.88005688 0.10677541] [0.24791903 0.61994312 0.60677541] [0.75208097 0.61994312 0.89322459] [0.74791903 0.11994312 0.60677541] [0.25208097 0.11994312 0.89322459] [0.71404377 0.95757551 0.77340816] [0.28595623 0.95757551 0.72659184] [0.21404377 0.45757551 0.77340816] [0.78595623 0.45757551 0.72659184] [0.28595623 0.04242449 0.22659184] [0.71404377 0.04242449 0.27340816] [0.78595623 0.54242449 0.22659184] [0.21404377 0.54242449 0.27340816] [0.53206893 0.05596423 0.59126091] [0.46793107 0.05596423 0.90873909] [0.03206893 0.55596423 0.59126091] [0.96793107 0.55596423 0.90873909] [0.46793107 0.94403577 0.40873909] [0.53206893 0.94403577 0.09126091] [0.96793107 0.44403577 0.40873909] [0.03206893 0.44403577 0.09126091] [0.31202988 0.72438481 0.35149526] [0.68797012 0.72438481 0.14850474] [0.81202988 0.22438481 0.35149526] [0.18797012 0.22438481 0.14850474] [0.68797012 0.27561519 0.64850474] [0.31202988 0.27561519 0.85149526] [0.18797012 0.77561519 0.64850474] [0.81202988 0.77561519 0.85149526] [0.44841218 0.72296039 0.70804626] [0.55158782 0.72296039 0.79195374] [0.94841218 0.22296039 0.70804626] [0.05158782 0.22296039 0.79195374] [0.55158782 0.27703961 0.29195374] [0.44841218 0.27703961 0.20804626] [0.05158782 0.77703961 0.29195374] [0.94841218 0.77703961 0.20804626] [0.51521198 0.60758051 0.44307263] [0.48478802 0.60758051 0.05692737] [0.01521198 0.10758051 0.44307263] [0.98478802 0.10758051 0.05692737] [0.48478802 0.39241949 0.55692737] [0.51521198 0.39241949 0.94307263] [0.98478802 0.89241949 0.55692737] [0.01521198 0.89241949 0.94307263] [0.55141247 0.54386564 0.77622785] [0.44858753 0.54386564 0.72377215] [0.05141247 0.04386564 0.77622785] [0.94858753 0.04386564 0.72377215] [0.44858753 0.45613436 0.22377215] [0.55141247 0.45613436 0.27622785] [0.94858753 0.95613436 0.22377215] [0.05141247 0.95613436 0.27622785] [0.61834501 0.55265816 0.46914772] [0.38165499 0.55265816 0.03085228] [0.11834501 0.05265816 0.46914772] [0.88165499 0.05265816 0.03085228] [0.38165499 0.44734184 0.53085228] [0.61834501 0.44734184 0.96914772] [0.88165499 0.94734184 0.53085228] [0.11834501 0.94734184 0.96914772] [0.41689097 0.0752452 0.59000657] [0.58310903 0.0752452 0.90999343] [0.91689097 0.5752452 0.59000657] [0.08310903 0.5752452 0.90999343] [0.58310903 0.9247548 0.40999343] [0.41689097 0.9247548 0.09000657] [0.08310903 0.4247548 0.40999343] [0.91689097 0.4247548 0.09000657] [0.59150125 0.79575284 0.11822441] [0.40849875 0.79575284 0.38177559] [0.09150125 0.29575284 0.11822441] [0.90849875 0.29575284 0.38177559] [0.40849875 0.20424716 0.88177559] [0.59150125 0.20424716 0.61822441] [0.90849875 0.70424716 0.88177559] [0.09150125 0.70424716 0.61822441] [0.61078491 0.87920102 0.76250724] [0.38921509 0.87920102 0.73749276] [0.11078491 0.37920102 0.76250724] [0.88921509 0.37920102 0.73749276] [0.38921509 0.12079898 0.23749276] [0.61078491 0.12079898 0.26250724] [0.88921509 0.62079898 0.23749276] [0.11078491 0.62079898 0.26250724] [0.68341577 0.12268709 0.92977995] [0.31658423 0.12268709 0.57022005] [0.18341577 0.62268709 0.92977995] [0.81658423 0.62268709 0.57022005] [0.31658423 0.87731291 0.07022005] [0.68341577 0.87731291 0.42977995] [0.81658423 0.37731291 0.07022005] [0.18341577 0.37731291 0.42977995]] cellpar = Cell([[20.1216004510318, -4.755852245675524e-18, 0.38867313928656455], [1.1568513568009486e-17, 11.558935904411467, -1.6354106920110003e-17], [0.17293413319887682, -1.1871137956560984e-17, 5.379888745715193]]) forces = [[ 6.25465287e-27 6.24947459e-09 -8.84204017e-27] [ 6.25901834e-27 6.24947459e-09 -8.70623269e-27] [-6.27846258e-27 -6.24947459e-09 8.84158026e-27] [-6.28858189e-27 -6.24947459e-09 8.77352321e-27] [-5.95678991e-09 -3.55781042e-09 -8.31908591e-09] [ 5.95678991e-09 -3.55781042e-09 8.31908591e-09] [-5.95678991e-09 -3.55781042e-09 -8.31908591e-09] [ 5.95678991e-09 -3.55781042e-09 8.31908591e-09] [ 5.95678991e-09 3.55781042e-09 8.31908591e-09] [-5.95678991e-09 3.55781042e-09 -8.31908591e-09] [ 5.95678991e-09 3.55781042e-09 8.31908591e-09] [-5.95678991e-09 3.55781042e-09 -8.31908591e-09] [ 5.09386683e-09 -2.21589819e-09 1.68705723e-09] [-5.09386683e-09 -2.21589819e-09 -1.68705723e-09] [ 5.09386683e-09 -2.21589819e-09 1.68705723e-09] [-5.09386683e-09 -2.21589819e-09 -1.68705723e-09] [-5.09386683e-09 2.21589819e-09 -1.68705723e-09] [ 5.09386683e-09 2.21589819e-09 1.68705723e-09] [-5.09386683e-09 2.21589819e-09 -1.68705723e-09] [ 5.09386683e-09 2.21589819e-09 1.68705723e-09] [ 1.02621457e-09 -8.31445067e-10 -9.24787156e-10] [-1.02621457e-09 -8.31445067e-10 9.24787156e-10] [ 1.02621457e-09 -8.31445067e-10 -9.24787156e-10] [-1.02621457e-09 -8.31445067e-10 9.24787156e-10] [-1.02621457e-09 8.31445067e-10 9.24787156e-10] [ 1.02621457e-09 8.31445067e-10 -9.24787156e-10] [-1.02621457e-09 8.31445067e-10 9.24787156e-10] [ 1.02621457e-09 8.31445067e-10 -9.24787156e-10] [-1.39579709e-10 -2.82835492e-09 1.77275808e-10] [ 1.39579709e-10 -2.82835492e-09 -1.77275808e-10] [-1.39579709e-10 -2.82835492e-09 1.77275808e-10] [ 1.39579709e-10 -2.82835492e-09 -1.77275808e-10] [ 1.39579709e-10 2.82835492e-09 -1.77275808e-10] [-1.39579709e-10 2.82835492e-09 1.77275808e-10] [ 1.39579709e-10 2.82835492e-09 -1.77275808e-10] [-1.39579709e-10 2.82835492e-09 1.77275808e-10] [-5.70179037e-09 -1.25308680e-09 7.42629624e-10] [ 5.70179037e-09 -1.25308680e-09 -7.42629624e-10] [-5.70179037e-09 -1.25308680e-09 7.42629624e-10] [ 5.70179037e-09 -1.25308680e-09 -7.42629624e-10] [ 5.70179037e-09 1.25308680e-09 -7.42629624e-10] [-5.70179037e-09 1.25308680e-09 7.42629624e-10] [ 5.70179037e-09 1.25308680e-09 -7.42629624e-10] [-5.70179037e-09 1.25308680e-09 7.42629624e-10] [ 2.01753221e-09 2.62314293e-09 1.00994301e-09] [-2.01753221e-09 2.62314293e-09 -1.00994301e-09] [ 2.01753221e-09 2.62314293e-09 1.00994301e-09] [-2.01753221e-09 2.62314293e-09 -1.00994301e-09] [-2.01753221e-09 -2.62314293e-09 -1.00994301e-09] [ 2.01753221e-09 -2.62314293e-09 1.00994301e-09] [-2.01753221e-09 -2.62314293e-09 -1.00994301e-09] [ 2.01753221e-09 -2.62314293e-09 1.00994301e-09] [ 2.48084897e-09 1.66921873e-09 3.99312332e-09] [-2.48084897e-09 1.66921873e-09 -3.99312332e-09] [ 2.48084897e-09 1.66921873e-09 3.99312332e-09] [-2.48084897e-09 1.66921873e-09 -3.99312332e-09] [-2.48084897e-09 -1.66921873e-09 -3.99312332e-09] [ 2.48084897e-09 -1.66921873e-09 3.99312332e-09] [-2.48084897e-09 -1.66921873e-09 -3.99312332e-09] [ 2.48084897e-09 -1.66921873e-09 3.99312332e-09] [-1.66780306e-09 -1.33556043e-09 -4.32186051e-09] [ 1.66780306e-09 -1.33556043e-09 4.32186051e-09] [-1.66780306e-09 -1.33556043e-09 -4.32186051e-09] [ 1.66780306e-09 -1.33556043e-09 4.32186051e-09] [ 1.66780306e-09 1.33556043e-09 4.32186051e-09] [-1.66780306e-09 1.33556043e-09 -4.32186051e-09] [ 1.66780306e-09 1.33556043e-09 4.32186051e-09] [-1.66780306e-09 1.33556043e-09 -4.32186051e-09] [-2.12511747e-09 -1.15122397e-09 5.62492151e-10] [ 2.12511747e-09 -1.15122397e-09 -5.62492151e-10] [-2.12511747e-09 -1.15122397e-09 5.62492151e-10] [ 2.12511747e-09 -1.15122397e-09 -5.62492151e-10] [ 2.12511747e-09 1.15122397e-09 -5.62492151e-10] [-2.12511747e-09 1.15122397e-09 5.62492151e-10] [ 2.12511747e-09 1.15122397e-09 -5.62492151e-10] [-2.12511747e-09 1.15122397e-09 5.62492151e-10] [ 1.53395123e-09 -9.47109603e-10 -5.29469594e-09] [-1.53395123e-09 -9.47109603e-10 5.29469594e-09] [ 1.53395123e-09 -9.47109603e-10 -5.29469594e-09] [-1.53395123e-09 -9.47109603e-10 5.29469594e-09] [-1.53395123e-09 9.47109603e-10 5.29469594e-09] [ 1.53395123e-09 9.47109603e-10 -5.29469594e-09] [-1.53395123e-09 9.47109603e-10 5.29469594e-09] [ 1.53395123e-09 9.47109603e-10 -5.29469594e-09] [-1.54888980e-09 -1.32184503e-09 -3.66769313e-09] [ 1.54888980e-09 -1.32184503e-09 3.66769313e-09] [-1.54888980e-09 -1.32184503e-09 -3.66769313e-09] [ 1.54888980e-09 -1.32184503e-09 3.66769313e-09] [ 1.54888980e-09 1.32184503e-09 3.66769313e-09] [-1.54888980e-09 1.32184503e-09 -3.66769313e-09] [ 1.54888980e-09 1.32184503e-09 3.66769313e-09] [-1.54888980e-09 1.32184503e-09 -3.66769313e-09] [-1.93227979e-09 1.24965023e-10 3.69960772e-09] [ 1.93227979e-09 1.24965023e-10 -3.69960772e-09] [-1.93227979e-09 1.24965023e-10 3.69960772e-09] [ 1.93227979e-09 1.24965023e-10 -3.69960772e-09] [ 1.93227979e-09 -1.24965023e-10 -3.69960772e-09] [-1.93227979e-09 -1.24965023e-10 3.69960772e-09] [ 1.93227979e-09 -1.24965023e-10 -3.69960772e-09] [-1.93227979e-09 -1.24965023e-10 3.69960772e-09] [ 2.00062926e-09 -3.20103845e-09 1.20764680e-09] [-2.00062926e-09 -3.20103845e-09 -1.20764680e-09] [ 2.00062926e-09 -3.20103845e-09 1.20764680e-09] [-2.00062926e-09 -3.20103845e-09 -1.20764680e-09] [-2.00062926e-09 3.20103845e-09 -1.20764680e-09] [ 2.00062926e-09 3.20103845e-09 1.20764680e-09] [-2.00062926e-09 3.20103845e-09 -1.20764680e-09] [ 2.00062926e-09 3.20103845e-09 1.20764680e-09] [-3.19378523e-10 1.02185148e-09 -2.19816869e-09] [ 3.19378523e-10 1.02185148e-09 2.19816869e-09] [-3.19378523e-10 1.02185148e-09 -2.19816869e-09] [ 3.19378523e-10 1.02185148e-09 2.19816869e-09] [ 3.19378523e-10 -1.02185148e-09 2.19816869e-09] [-3.19378523e-10 -1.02185148e-09 -2.19816869e-09] [ 3.19378523e-10 -1.02185148e-09 2.19816869e-09] [-3.19378523e-10 -1.02185148e-09 -2.19816869e-09] [-2.98941604e-09 -8.51867647e-10 -4.17340192e-09] [ 2.98941604e-09 -8.51867647e-10 4.17340192e-09] [-2.98941604e-09 -8.51867647e-10 -4.17340192e-09] [ 2.98941604e-09 -8.51867647e-10 4.17340192e-09] [ 2.98941604e-09 8.51867647e-10 4.17340192e-09] [-2.98941604e-09 8.51867647e-10 -4.17340192e-09] [ 2.98941604e-09 8.51867647e-10 4.17340192e-09] [-2.98941604e-09 8.51867647e-10 -4.17340192e-09] [ 1.80979351e-09 4.15652790e-09 2.08369994e-09] [-1.80979351e-09 4.15652790e-09 -2.08369994e-09] [ 1.80979351e-09 4.15652790e-09 2.08369994e-09] [-1.80979351e-09 4.15652790e-09 -2.08369994e-09] [-1.80979351e-09 -4.15652790e-09 -2.08369994e-09] [ 1.80979351e-09 -4.15652790e-09 2.08369994e-09] [-1.80979351e-09 -4.15652790e-09 -2.08369994e-09] [ 1.80979351e-09 -4.15652790e-09 2.08369994e-09] [ 4.61274161e-09 2.30122227e-09 -2.28752507e-10] [-4.61274161e-09 2.30122227e-09 2.28752507e-10] [ 4.61274161e-09 2.30122227e-09 -2.28752507e-10] [-4.61274161e-09 2.30122227e-09 2.28752507e-10] [-4.61274161e-09 -2.30122227e-09 2.28752507e-10] [ 4.61274161e-09 -2.30122227e-09 -2.28752507e-10] [-4.61274161e-09 -2.30122227e-09 2.28752507e-10] [ 4.61274161e-09 -2.30122227e-09 -2.28752507e-10] [ 2.17507729e-09 -8.14726150e-09 -5.48350923e-09] [-2.17507729e-09 -8.14726150e-09 5.48350923e-09] [ 2.17507729e-09 -8.14726150e-09 -5.48350923e-09] [-2.17507729e-09 -8.14726150e-09 5.48350923e-09] [-2.17507729e-09 8.14726150e-09 5.48350923e-09] [ 2.17507729e-09 8.14726150e-09 -5.48350923e-09] [-2.17507729e-09 8.14726150e-09 5.48350923e-09] [ 2.17507729e-09 8.14726150e-09 -5.48350923e-09] [ 8.31473751e-10 -2.66692212e-09 -7.01468929e-10] [-8.31473751e-10 -2.66692212e-09 7.01468929e-10] [ 8.31473751e-10 -2.66692212e-09 -7.01468929e-10] [-8.31473751e-10 -2.66692212e-09 7.01468929e-10] [-8.31473751e-10 2.66692212e-09 7.01468929e-10] [ 8.31473751e-10 2.66692212e-09 -7.01468929e-10] [-8.31473751e-10 2.66692212e-09 7.01468929e-10] [ 8.31473751e-10 2.66692212e-09 -7.01468929e-10] [ 9.02732990e-11 3.51850819e-09 2.56002580e-09] [-9.02732990e-11 3.51850819e-09 -2.56002580e-09] [ 9.02732990e-11 3.51850819e-09 2.56002580e-09] [-9.02732990e-11 3.51850819e-09 -2.56002580e-09] [-9.02732990e-11 -3.51850819e-09 -2.56002580e-09] [ 9.02732990e-11 -3.51850819e-09 2.56002580e-09] [-9.02732990e-11 -3.51850819e-09 -2.56002580e-09] [ 9.02732990e-11 -3.51850819e-09 2.56002580e-09]] stress = [-1.10733438e-11 1.59987290e-10 -1.04200283e-11 -7.33873875e-29 7.26908150e-11 6.24473308e-29] energy per atom = -23.879822118652484 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0