File size: 203,513 Bytes
24d7cbe | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 1053 1054 1055 1056 1057 1058 1059 1060 1061 1062 1063 1064 1065 1066 1067 1068 1069 1070 1071 1072 1073 1074 1075 1076 1077 1078 1079 1080 1081 1082 1083 1084 1085 1086 1087 1088 1089 1090 1091 1092 1093 1094 1095 1096 1097 1098 1099 1100 1101 1102 1103 1104 1105 1106 1107 1108 1109 1110 1111 1112 1113 1114 1115 1116 1117 1118 1119 1120 1121 1122 1123 1124 1125 1126 1127 1128 1129 1130 1131 1132 1133 1134 1135 1136 1137 1138 1139 1140 1141 1142 1143 1144 1145 1146 1147 1148 1149 1150 1151 1152 1153 1154 1155 1156 1157 1158 1159 1160 1161 1162 1163 1164 1165 1166 1167 1168 1169 1170 1171 1172 1173 1174 1175 1176 1177 1178 1179 1180 1181 1182 1183 1184 1185 1186 1187 1188 1189 1190 1191 1192 1193 1194 1195 1196 1197 1198 1199 1200 1201 1202 1203 1204 1205 1206 1207 1208 1209 1210 1211 1212 1213 1214 1215 1216 1217 1218 1219 1220 1221 1222 1223 1224 1225 1226 1227 1228 1229 1230 1231 1232 1233 1234 1235 1236 1237 1238 1239 1240 1241 1242 1243 1244 1245 1246 1247 1248 1249 1250 1251 1252 1253 1254 1255 1256 1257 1258 1259 1260 1261 1262 1263 1264 1265 1266 1267 1268 1269 1270 1271 1272 1273 1274 1275 1276 1277 1278 1279 1280 1281 1282 1283 1284 1285 1286 1287 1288 1289 1290 1291 1292 1293 1294 1295 1296 1297 1298 1299 1300 1301 1302 1303 1304 1305 1306 1307 1308 1309 1310 1311 1312 1313 1314 1315 1316 1317 1318 1319 1320 1321 1322 1323 1324 1325 1326 1327 1328 1329 1330 1331 1332 1333 1334 1335 1336 1337 1338 1339 1340 1341 1342 1343 1344 1345 1346 1347 1348 1349 1350 1351 1352 1353 1354 1355 1356 1357 1358 1359 1360 1361 1362 1363 1364 1365 1366 1367 1368 1369 1370 1371 1372 1373 1374 1375 1376 1377 1378 1379 1380 1381 1382 1383 1384 1385 1386 1387 1388 1389 1390 1391 1392 1393 1394 1395 1396 1397 1398 1399 1400 1401 1402 1403 1404 1405 1406 1407 1408 1409 1410 1411 1412 1413 1414 1415 1416 1417 1418 1419 1420 1421 1422 1423 1424 1425 1426 1427 1428 1429 1430 1431 1432 1433 1434 1435 1436 1437 1438 1439 1440 1441 1442 1443 1444 1445 1446 1447 1448 1449 1450 1451 1452 1453 1454 1455 1456 1457 1458 1459 1460 1461 1462 1463 1464 1465 1466 1467 1468 1469 1470 1471 1472 1473 1474 1475 1476 1477 1478 1479 1480 1481 1482 1483 1484 1485 1486 1487 1488 1489 1490 1491 1492 1493 1494 1495 1496 1497 1498 1499 1500 1501 1502 1503 1504 1505 1506 1507 1508 1509 1510 1511 1512 1513 1514 1515 1516 1517 1518 1519 1520 1521 1522 1523 1524 1525 1526 1527 1528 1529 1530 1531 1532 1533 1534 1535 1536 1537 1538 1539 1540 1541 1542 1543 1544 1545 1546 1547 1548 1549 1550 1551 1552 1553 1554 1555 1556 1557 1558 1559 1560 1561 1562 1563 1564 1565 1566 1567 1568 1569 1570 1571 1572 1573 1574 1575 1576 1577 1578 1579 1580 1581 1582 1583 1584 1585 1586 1587 1588 1589 1590 1591 1592 1593 1594 1595 1596 1597 1598 1599 1600 1601 1602 1603 1604 1605 1606 1607 1608 1609 1610 1611 1612 1613 1614 1615 1616 1617 1618 1619 1620 1621 1622 1623 1624 1625 1626 1627 1628 1629 1630 1631 1632 1633 1634 1635 1636 1637 1638 1639 1640 1641 1642 1643 1644 1645 1646 1647 1648 1649 1650 1651 1652 1653 1654 1655 1656 1657 1658 1659 1660 1661 1662 1663 1664 1665 1666 1667 1668 1669 1670 1671 1672 1673 1674 1675 1676 1677 1678 1679 1680 1681 1682 1683 1684 1685 1686 1687 1688 1689 1690 1691 1692 1693 1694 1695 1696 1697 1698 1699 1700 1701 1702 1703 1704 1705 1706 1707 1708 1709 1710 1711 1712 1713 1714 1715 1716 1717 1718 1719 1720 1721 1722 1723 1724 1725 1726 1727 1728 1729 1730 1731 1732 1733 1734 1735 1736 1737 1738 1739 1740 1741 1742 1743 1744 1745 1746 1747 1748 1749 1750 1751 1752 1753 1754 1755 1756 1757 1758 1759 1760 1761 1762 1763 1764 1765 1766 1767 1768 1769 1770 1771 1772 1773 1774 1775 1776 1777 1778 1779 1780 1781 1782 1783 1784 1785 1786 1787 1788 1789 1790 1791 1792 1793 1794 1795 1796 1797 1798 1799 1800 1801 1802 1803 1804 1805 1806 1807 1808 1809 1810 1811 1812 1813 1814 1815 1816 1817 1818 1819 1820 1821 1822 1823 1824 1825 1826 1827 1828 1829 1830 1831 1832 1833 1834 1835 1836 1837 1838 1839 1840 1841 1842 1843 1844 1845 1846 1847 1848 1849 1850 1851 1852 1853 1854 1855 1856 1857 1858 1859 1860 1861 1862 1863 1864 1865 1866 1867 1868 1869 1870 1871 1872 1873 1874 1875 1876 1877 1878 1879 1880 1881 1882 1883 1884 1885 1886 1887 1888 1889 1890 1891 1892 1893 1894 1895 1896 1897 1898 1899 1900 1901 1902 1903 1904 1905 1906 1907 1908 1909 1910 1911 1912 1913 1914 1915 1916 1917 1918 1919 1920 1921 1922 1923 1924 1925 1926 1927 1928 1929 1930 1931 1932 1933 1934 1935 1936 1937 1938 1939 1940 1941 | 192
Lattice="13.7044938 0.0 0.0 -5.3e-07 13.7044938 0.0 -5.3e-07 -5.3e-07 13.7044938" Properties=species:S:1:pos:R:3:forces:R:3 energy=-30011.49340274 cutoff=-1.0 nneightol=1.2 pbc="T T T"
O 0.36053267 12.16991164 13.41887569 -1.64291447 -4.57499559 -4.29338264
H 0.41103364 12.71491125 12.67188914 0.57074381 2.18397746 -0.53663555
H 0.50386878 12.47783986 14.22618844 1.16273007 2.84865910 4.65609333
O 8.29284189 7.20501230 3.01451619 3.35511504 -2.69160582 -3.07500875
H 8.50901078 7.81615906 3.62957886 1.51211216 3.03877676 3.30119386
H 7.40419460 7.22353351 3.01082253 -4.88802228 -0.29535910 -0.28813995
O 6.47654696 12.50784421 4.89482569 1.20642854 0.18389200 2.97261199
H 7.06615620 12.19340711 4.25619876 2.16810861 -0.94104954 -1.26919432
H 5.72924290 12.62653865 4.40548494 -3.18736083 0.91869636 -1.96854985
O 7.35572197 3.29329732 3.39226934 0.13330862 2.83582929 -4.38437913
H 7.15156540 2.56179979 2.82965871 -0.17510499 -0.42731429 -0.78582689
H 7.35466362 2.94755410 4.19897354 0.12469131 -2.30806919 5.42389678
O 11.58130783 7.59559800 7.60962120 3.14073644 0.20032289 -2.10571822
H 11.40567391 7.12230190 6.77378579 -0.88979716 0.27547110 1.17430518
H 10.94110924 7.78033377 8.24436926 -2.12276463 -0.34142041 1.04549804
O 11.31592546 10.55253442 4.31000021 -7.24140974 -1.75366218 -0.72073169
H 11.99904032 10.13824158 3.95813440 5.13325926 -2.67798926 -2.01938571
H 11.51785948 11.25549342 4.79246165 1.87142385 4.38552584 2.88520476
O 2.74277840 8.55108037 13.24541140 1.85078304 1.81578003 0.97317804
H 3.00565247 9.51259536 12.99368180 -1.39232960 -2.91367202 -0.26245720
H 1.93044375 8.21838666 12.89578402 -0.53379705 0.76743321 -0.69209988
O 4.63021592 6.79781044 10.10035249 0.88614105 5.33946175 0.69950466
H 4.53948319 6.08072240 10.61106141 -0.47998489 -4.08783321 3.42938393
H 4.47520933 6.49141684 9.27351310 -0.60471837 -1.28920264 -4.11296832
O 6.57666728 8.78333625 11.75625382 1.38973278 1.60625054 3.18318021
H 5.72384529 8.91631848 12.17091708 -0.32576137 -0.44916044 -1.38142298
H 6.67186626 8.34433084 10.95560870 -1.13601116 -1.29758444 -1.87614440
O 12.91954408 5.65224762 2.07289826 -0.54286276 1.40442407 -1.73229631
H 12.74930777 6.26424106 1.28561486 0.92102064 -0.73610175 1.46621282
H 12.00623713 5.43036361 2.24195979 -0.34885604 -0.59421798 0.57777834
O 6.03828239 5.59652526 4.88619481 0.88445955 -2.89337059 -1.80520766
H 6.25302250 4.80433110 4.21551561 -0.74873615 2.72565237 2.12707380
H 5.15503271 5.90096090 4.65387543 -0.12861790 0.23712721 -0.42722276
O 11.38694104 0.93547947 6.80680645 1.42788796 0.08248357 0.23594553
H 12.25325705 0.61612632 7.28100215 -1.94933857 1.29497734 -0.97053495
H 11.33868008 1.90273074 6.63164880 0.62786858 -1.38419977 0.72666066
O 6.69620842 1.61020158 10.18502084 -2.95552958 0.30946314 -3.27607932
H 7.07986189 2.36596189 10.52914478 1.65207274 2.12771658 1.90971787
H 6.08760171 2.15169804 9.51540000 1.12987651 -2.56762208 1.69388402
O 2.21868129 8.80968927 9.63737535 -0.59593548 1.87340874 0.29203466
H 2.79838963 8.12911446 9.82750872 3.31873907 -1.48294042 2.45257034
H 1.88738990 8.23870706 8.99156748 -2.64923918 -0.40447827 -2.69628523
O 5.22358232 5.18174557 7.63539213 -2.10955430 -1.21813220 0.09444434
H 5.46280217 5.33198957 6.73886010 0.29583424 -0.03467030 -1.69775096
H 5.87995257 5.63065719 8.08969076 2.33390364 1.07293171 1.68911720
O 5.20740538 6.35076153 1.25093259 -2.74794384 -1.05504712 4.94019511
H 5.63060427 6.76230265 0.61389319 3.05777208 4.58782025 -4.51337138
H 5.33960972 5.53180688 0.86757545 -0.30268931 -3.48863758 -0.37784215
O 3.17931255 -0.28145084 0.68936444 1.05256857 -1.41609173 2.68969292
H 3.91633999 0.18187027 1.12913716 -0.05813162 -0.92120062 1.34736614
H 3.20127870 0.33485858 0.02999482 -1.05522709 2.07786288 -3.84201516
O 5.31061081 13.33314898 7.39228812 0.23699916 0.57426622 -1.30960178
H 5.48650931 12.90806093 6.54475790 1.42676696 2.61054922 -2.41885289
H 5.14955043 12.42645675 7.46272160 -1.60302123 -2.93238965 3.92634735
O 10.01753626 5.01091130 3.23948000 -1.45693628 0.88245923 -0.71570776
H 9.41988352 4.40296606 3.65025381 0.11526565 -1.55097182 0.58487459
H 9.24387918 5.59075722 2.99006820 1.52469514 0.56339559 -0.01501987
O 6.83548786 12.64236105 10.65307809 -1.49700950 -8.70339053 -0.10626987
H 5.34230852 11.74715197 10.34594363 3.94594430 2.54028611 0.76215731
H 6.61429178 13.49327801 10.62471419 -2.17735944 5.81218481 -0.63397238
O 8.85218220 9.03892884 5.48703849 -0.17823968 4.46814568 -4.82149755
H 9.68060913 9.55106655 5.37162494 -0.56287623 -0.97485440 0.50528094
H 8.82074908 8.42936961 6.11871733 0.70051253 -3.56673227 4.11242324
O 3.22327130 2.93632496 3.62407012 4.31028507 4.59631004 0.56606954
H 2.59914912 2.31539901 3.77848403 -3.21717534 -2.74349069 1.16082745
H 3.35484593 3.55822460 4.43476432 -0.80341837 -1.98234125 -2.23070984
O 1.00927323 12.41074019 5.59033388 -3.97917324 2.21899075 -0.69141597
H 1.75399490 11.98792760 5.32542777 3.49511161 -2.07490097 -0.79411098
H 0.91716994 12.51874526 6.51184308 0.34234035 0.02769901 1.29521902
O 9.20255044 9.81216258 11.54590587 3.36462812 -4.13321833 1.68398528
H 8.31152185 9.83121296 11.60395661 -4.83280527 -0.41340925 0.49916120
H 9.38114774 10.61735862 11.22215526 1.44677528 4.60202303 -2.00751750
O 4.02124937 10.30435030 11.54892218 1.29729648 -3.82920078 1.07461321
H 3.99964836 11.17336512 11.69857350 0.27627791 5.68321827 2.09017333
H 3.59775943 10.34403859 10.74467866 -1.62651083 -1.31193634 -3.13392816
O 9.23668237 0.38732438 1.00164779 -1.02757231 4.81345514 -7.94779468
H 9.53323327 0.25154756 -0.24010887 0.22547805 -0.71516782 5.86232133
H 9.36929417 -0.22044041 1.63577142 0.93762997 -4.16242092 2.41266168
O 7.14865493 3.99826191 11.77070035 -1.53292781 0.41736361 1.06562978
H 7.55818517 4.51092879 11.11346226 2.51293471 0.48492398 -2.37199711
H 6.45500944 4.67329624 11.80610231 -0.85884622 -0.88093714 1.07326596
O 0.16753698 9.08046925 4.10706075 -5.30326061 -1.70323256 0.25760913
H 0.87874109 9.57138695 3.99747344 4.96148899 4.22779894 -0.99744412
H 0.54146470 8.30945806 4.44990937 0.31785985 -2.41976821 0.57260014
O 1.14044039 6.44479632 4.04197195 -0.28607639 0.49830451 -0.05627991
H 1.19621037 5.56350460 4.39284290 1.13677735 -0.89977304 0.81921009
H 0.34607607 6.29064700 3.53019409 -0.56980792 0.67549056 -1.08747387
O 0.72349108 7.69079698 7.40980388 4.95966865 -1.13586204 -1.96727973
H 0.99924533 8.12779152 6.57259262 -1.08747902 -0.42498693 1.31059422
H -0.09457032 7.90887091 7.71513913 -4.11454698 1.38098075 0.61637061
O 8.47239172 11.61792689 2.84240130 -2.26558942 5.41551499 2.29591816
H 7.76662808 11.34809943 2.33308411 -1.66319019 -1.51667330 -2.09950643
H 9.15021481 11.06149706 2.84761369 4.08143631 -3.90468324 -0.16905673
O 3.92623560 10.41092659 7.86727758 1.25345916 3.72671146 1.83898167
H 3.26447304 9.80644747 7.92495790 -2.65462821 -2.65989383 0.27687801
H 4.49866776 10.19814444 7.17696591 1.55070956 -0.92172512 -1.84116711
O 9.84216693 12.61383840 9.91090705 2.51313525 0.46401165 6.55667350
H 9.94662651 12.20383190 9.15566533 0.34003613 -2.75939553 -5.92449061
H 9.17222858 13.21757668 9.92403064 -2.90894633 2.12302174 -0.51805676
O 3.06414772 13.46205655 10.69202553 -1.10952880 0.31014191 6.42719273
H 2.18408897 13.86147951 11.00894976 1.47505742 -0.88596622 -0.81127052
H 3.03289451 13.46046902 9.81597266 -0.11939535 0.24238820 -5.77978891
O 8.63871212 1.18125583 6.22682823 3.54664681 2.20939025 1.26894235
H 9.47862219 0.67696582 6.28472022 -0.26083586 0.94919479 0.34298724
H 8.10503690 0.54706340 5.89836794 -3.45418993 -2.96127857 -1.68019033
O -0.05814599 0.10389760 8.17615832 0.71453533 -1.48009678 0.78017560
H 0.33845222 -0.71489195 8.61929131 -0.75805897 1.02019324 -0.76701155
H 0.44721189 0.82115603 8.55197997 0.29542286 0.62493752 -0.09568104
O 1.82617468 4.25531503 5.56318709 1.57654401 -2.40183733 -2.70080009
H 1.52458600 3.31370769 5.36596274 -0.27217289 2.20609409 1.15329412
H 1.34674542 4.78423295 6.15136756 -1.53793632 -0.15315548 1.81903505
O 7.00011489 2.01431305 0.44676103 -0.53738117 0.13288233 1.81453048
H 7.63036494 1.31461378 0.44624720 1.58845336 -1.37352969 1.31427090
H 6.91449401 2.07578757 -0.46028151 -0.63066594 1.23558999 -3.06305826
O 10.28641120 8.99939930 0.78265839 3.99120601 3.43103458 -2.23929732
H 9.87428799 8.41868023 1.29544169 -3.25106763 -3.63091215 3.13289457
H 9.77411474 9.30372912 0.06120252 -1.04443875 0.22892333 -0.94723561
O 9.15534783 3.97959783 7.39705071 3.73942300 1.73318591 -2.99094396
H 8.76243375 3.20191900 7.04938129 -0.63607040 -1.42419071 -0.38421951
H 9.91048371 4.30572445 6.62990251 -2.90891548 -0.61970276 3.12335064
O 0.72731174 1.49023711 4.41089313 -5.88067900 2.56695359 1.74712129
H 0.72509978 0.61006195 4.69627311 1.07335852 -2.80504804 0.60914066
H -0.37111198 1.59737433 4.84060090 4.89103047 0.17501603 -2.17308112
O 3.99281668 7.25740085 4.02418101 -4.73248081 0.29956696 0.99052271
H 3.99627750 7.27184738 3.09785631 1.67767065 -0.09944411 -2.52543541
H 2.92648227 7.25893546 3.95300138 2.94215470 -0.38953604 1.53021273
O 0.30371173 3.42053269 11.72307440 0.27463086 -1.99299076 -3.25083623
H -0.34757047 4.06679036 11.83398995 -2.63713957 1.66297936 -0.28307282
H 0.73561453 3.53130536 12.50461623 2.45436497 0.01194637 3.54077441
O 0.91853522 11.48494466 9.26345873 2.28484185 5.32717187 0.98500512
H 1.80640462 11.27941223 9.53677876 0.05948865 -0.38214206 -0.01262103
H 0.46376932 10.75388634 9.09052362 -2.50264001 -4.91469491 -0.89056335
O 10.77378341 13.49915187 12.56536577 -4.78915307 1.84352738 -1.02677012
H 10.44066635 12.86588551 11.94871557 -1.26862353 -0.24227867 -1.19114590
H 11.57358184 13.13962888 12.62743826 5.72389312 -1.48798493 1.65571857
O 3.13478758 10.82426691 4.37930655 1.58532176 -0.21059445 -2.15285168
H 3.96450570 11.19035171 4.66061186 0.34017240 0.47464573 2.00864878
H 3.61394167 10.65582981 3.51421823 -2.01084965 -0.42306991 0.08175080
O 5.59747777 9.49804299 5.85471082 -0.94379033 3.82565266 2.15813273
H 5.10902604 8.79915865 5.57726320 -1.66289194 -3.37654775 -1.69600776
H 6.48691883 9.45115789 5.65547560 2.68705497 -0.49305792 -0.78032987
O 4.23368756 4.75268340 12.39163689 6.02553497 2.78712231 -2.34542732
H 3.54431253 5.18397870 12.70797903 -5.04806832 2.19992344 2.33000585
H 4.19417390 3.86878283 12.33612620 -0.94666483 -4.95833167 -0.12105629
O 1.84923093 4.19831206 0.61926963 -2.56382199 -0.60086685 -5.25188997
H 2.53150440 3.97677202 1.11846366 5.63313317 -2.80744431 2.64271886
H 1.53932359 4.74547601 1.25188511 -3.21376092 3.34262976 2.61282722
O 5.18328019 1.15245271 2.31437770 -0.19264146 -5.46986811 1.73586500
H 5.73532844 1.28383154 1.61557273 2.17028891 1.71317244 -2.88797641
H 4.68008029 1.80375344 2.66165024 -2.15042970 3.82095783 1.19819587
O -0.08094930 4.83773805 7.63819677 -2.24870242 1.12874008 -4.00355244
H 0.14743406 5.76094061 7.52611703 0.50577048 0.08519711 1.27323609
H 0.18032031 4.30578796 8.32776759 1.61631384 -0.95163734 2.62247914
O 11.28708530 5.40951403 5.83592503 -0.03338681 -0.66872341 1.03206660
H 11.93183481 4.99452797 6.46606925 -0.17532714 0.37793882 -1.17874804
H 11.38657062 5.15524967 4.90622417 0.15867564 -0.00952645 0.45722702
O 12.49297433 7.70418516 13.71510909 -0.31938606 -3.85681443 -0.07905320
H 11.76625526 8.22272591 13.97345341 -1.98335941 1.37494380 0.65115249
H 13.21239074 8.24257006 13.59525046 2.56847568 2.15504226 -0.56116902
O 11.95252564 5.29642886 12.31448285 3.89045475 4.12467712 1.06499215
H 11.14674750 5.08947294 12.75227116 -0.89607580 -0.50249181 0.86278001
H 12.45810155 6.13284636 12.91001889 -2.72925706 -3.26019504 -2.57628155
O 1.74124173 2.83909394 8.99865846 1.78741562 0.48087089 -7.20808824
H 1.74355953 2.86717208 9.86889038 0.11821368 0.42067365 6.40153312
H 2.67288996 3.13457591 8.68475054 -2.12235840 -1.17306076 0.79173014
O 4.54927826 2.48204220 8.34882884 -0.24416072 -3.74831387 -1.22324870
H 4.68227637 1.60387262 7.73434827 -0.05319201 3.57009527 2.13894716
H 5.05920401 3.24838605 8.10403146 0.33654354 0.42476016 -1.06976926
O 13.69537078 9.68595382 12.04110991 -0.15955136 -0.02091747 -0.30360720
H 12.76491850 9.80300782 11.90997979 -1.00621672 -0.87953846 -0.28799340
H 13.86020948 10.60709259 12.20383190 1.18640479 0.55136283 0.69738093
O 4.36459542 1.85788827 12.40110916 -5.02959752 3.35773756 -0.07317566
H 4.53716011 1.24887938 11.77456335 0.40487884 -3.05960270 -3.93237402
H 5.03870368 1.75255554 12.94886049 4.43316324 -0.31145318 4.05370439
O 8.13567626 5.35691381 9.30880922 -2.14978693 -5.67668766 -3.14897940
H 8.68438011 4.59138490 8.54118476 -1.55430911 3.07298272 2.18755644
H 8.70374800 5.98033749 9.60488387 3.14831091 2.81322929 1.03431888
O 0.48317795 0.57009319 11.23051626 0.97315748 2.52212897 0.99644139
H 0.39026925 1.60232742 11.24676200 -0.42182859 -2.30122492 0.12179574
H -0.15998720 0.17592391 10.67202263 -0.87775411 0.05990362 -0.84131130
O 3.82905221 10.58566091 1.40669590 -2.44805549 0.02468516 -0.64232847
H 3.33901294 11.44827268 1.10543002 1.14357021 -2.31578250 0.65826931
H 3.19607160 9.77443225 1.32064640 1.53032586 2.40832680 -0.10685711
O 10.11659823 7.17050995 10.08151378 -0.42270585 0.34709998 -1.59248485
H 9.75972112 7.65476001 10.78066271 -2.03507972 2.82082948 0.90895703
H 10.59063517 6.70430483 10.71356304 2.76289738 -2.87328513 0.87530128
O 10.02182259 4.08791511 -0.11174159 0.85728299 0.40030177 -3.00505417
H 9.83555221 4.08183487 0.75735842 0.15636062 1.22952733 5.56623306
H 9.39490635 3.41971776 -0.23339149 -1.52019571 -1.79913985 -2.13492595
O 6.98572127 10.02827855 0.95479973 -5.33689065 1.30151823 -0.47987999
H 7.19924427 9.43988641 0.24739405 0.39186340 -0.48945272 -0.72141046
H 5.89159447 10.23555727 0.72491457 4.58773798 -0.76866734 1.29293588
192
Lattice="12.88509993 0.0 0.0 -5.3e-07 12.88509993 0.0 -5.3e-07 -5.3e-07 12.88509993" Properties=species:S:1:pos:R:3:forces:R:3 energy=-30012.02348054 cutoff=-1.0 nneightol=1.2 pbc="T T T"
O 0.95908078 11.95628280 0.65987340 -7.80478991 -0.13564061 -0.32728860
H 0.40083851 12.59970937 1.18231418 1.31175636 -0.08949599 -0.04576872
H 1.82543912 11.94548759 0.69387832 6.70132377 0.70732082 0.95443470
O 5.64923131 6.45622655 11.22792329 -1.87859209 -0.59313812 2.62427377
H 4.79590130 5.96573219 11.16897295 0.17379527 0.09125051 0.64435449
H 5.81121245 6.59889273 10.33282004 0.99928503 0.95104084 -2.80904354
O 10.05822998 1.12144293 4.31439767 -10.73389369 0.17012374 -1.77988229
H 10.64693963 1.28763632 4.87894508 7.16849325 3.06068257 8.24521991
H 10.57084395 0.83735943 3.68638074 3.67571620 -2.89053209 -6.59657702
O 12.39862203 3.16012988 3.23361672 -2.65224223 -0.44412005 -2.11886684
H 12.96785796 3.46303091 3.89100827 1.45735794 1.07946231 1.61522369
H 11.53759779 3.66783308 3.19891857 1.02419902 -0.70127358 0.43518958
O 11.78493522 8.70020251 7.21199744 1.41859599 1.70237895 1.10918941
H 11.04345211 8.10456064 7.01133344 0.10383452 0.48397112 1.48861228
H 11.80462061 9.12984149 8.15282160 -1.09132539 -1.82056743 -2.95462455
O 3.88756333 -0.40770776 3.97530091 -2.47838422 1.31160724 -0.82304618
H 3.16204550 0.30656082 3.83492607 2.12186989 -1.94452032 0.63424492
H 4.67364549 0.03881303 4.25583363 0.35781891 0.46354319 0.25751760
O 11.05990952 8.79434314 9.95504043 -3.63809581 20.88687228 3.31049097
H 11.07340354 8.02941748 9.94101723 1.06270386 -21.57366541 -1.12196780
H 10.25323179 8.87647144 10.63662067 2.59474207 0.64773807 -1.83486276
O 4.14554251 2.75044088 12.88239584 -0.74807280 -0.96455971 -1.01409973
H 3.36013241 3.06947124 12.40883515 0.32093283 0.58942544 0.35533985
H 4.13285284 1.83676880 12.49424435 0.24424299 0.27539499 0.88345682
O 3.33899178 9.48634817 10.19973197 6.77259476 0.23649780 1.99193661
H 4.02233418 9.08512601 11.10891133 -2.94745632 1.78521990 -2.85974055
H 2.60404401 9.00903033 10.38801322 -4.10717305 -1.96882239 0.87097669
O 9.92112017 4.42432365 3.15475873 -2.59221211 -0.78554406 1.01192457
H 9.95546377 5.02379147 3.95836724 -0.28654176 -1.21735059 -1.22782526
H 8.99760010 3.87507475 3.14183093 3.09961421 2.12922839 0.24387481
O 6.18380612 5.20361118 2.99425928 -2.40665044 -1.51716181 -0.36943773
H 5.25572984 4.92190369 2.56650947 2.31377190 1.32866908 1.50921710
H 6.30059553 4.46610748 3.62222329 0.38442469 1.02477495 -0.37820827
O 11.77096494 2.80732743 8.95029166 5.64969108 -16.91996835 -6.25523734
H 12.52260825 2.08131747 9.31537102 -2.94517318 3.71817540 -1.07469549
H 11.59305556 3.50065012 9.30727460 -2.53892342 12.80368331 7.48206501
O 3.16136815 11.92373840 9.43750512 -0.39265736 2.32241081 -0.77699257
H 3.96722038 12.20653070 9.01268165 0.27150234 0.15017095 -0.26466424
H 3.32275133 11.04128249 9.72013866 -0.03778442 -2.01261342 0.63957738
O 5.59700151 6.67255419 6.28498481 0.38060660 -1.08698022 -2.99165358
H 6.04452668 7.37508986 5.76591488 -0.27095110 -0.04914150 0.65195982
H 5.54572424 5.98832806 5.50841725 0.01937224 1.25117602 2.53820865
O 8.74089624 12.69496127 6.25154081 0.25271581 1.09161335 -0.18835235
H 8.54081433 11.80483228 5.90588225 0.06728783 -0.00021083 -0.00242815
H 9.19482445 13.16598190 5.50619471 -0.49941266 -0.69092746 0.84237573
O 0.95119603 8.41195968 10.63281060 3.81585676 -0.64911104 -1.19057512
H 0.16404441 8.60727899 10.24545288 -3.51628722 0.66689793 -1.79940725
H 0.76442294 8.37661065 11.52563839 -0.60386990 -0.28214877 3.03790773
O 1.27813759 1.20052317 11.46393632 0.73251249 5.79151314 -3.73376657
H 1.14403879 0.49072084 11.94733971 -0.79253232 -5.43505537 3.33318867
H 1.48210895 0.94975138 10.55851412 -0.13306797 -0.05894871 0.19156417
O 11.74434733 2.47291919 6.31525374 -0.72113278 0.29836832 -1.89554594
H 11.51436691 2.25930093 7.25311451 -0.04093814 1.68707060 -0.79706775
H 11.43239736 3.34333103 5.86344224 0.42078935 -1.75898436 2.30341550
O 9.79279470 6.93634903 7.34471509 -2.06963535 0.01217675 0.48306044
H 8.98643446 7.51548057 7.29343781 1.30626963 -0.36562581 0.01040783
H 9.57689039 6.36573725 8.10503690 0.35199330 0.17670782 -0.41419447
O 5.98261295 0.17066494 9.74278745 2.97103333 2.56465502 0.29663899
H 7.03033091 0.62561446 9.53021696 -4.54064051 -1.52552304 0.79139590
H 5.41686959 0.79259633 10.32086063 2.26945636 -1.04448502 -1.58630906
O 8.33353562 9.41221045 7.65460126 -1.01363178 -1.66176066 -3.79664547
H 8.35877737 10.10146376 8.25389445 0.00972083 2.10510629 1.99240455
H 8.16023008 9.81724268 6.70943785 0.94786810 -1.08529872 2.42833512
O 4.06163617 12.94515625 11.96728969 -0.46939914 -0.16037411 14.43818513
H 3.99754752 12.02190077 12.41693156 0.32242253 2.60975218 -0.80903881
H 4.09250837 12.81720120 11.16765000 -0.03966544 -2.44601403 -13.17921866
O 3.38669710 9.58990815 4.10745234 1.34602403 -0.11002265 -0.35393912
H 2.46321937 9.54767981 4.22345327 -1.79719096 -0.32873510 0.32171034
H 3.57283519 10.52591680 4.21813504 0.18703903 0.36678949 0.04829766
O 7.93220762 10.92264096 10.26757249 -2.11493305 1.94176924 0.06830856
H 8.75158562 11.45091856 10.37245541 -0.54978417 -0.21192576 0.21945293
H 7.15278251 11.62147238 10.35578633 2.15703230 -2.05560741 -0.38244082
O 2.84288285 7.46012864 7.96903836 -3.55896239 0.79759225 2.44267160
H 3.62344040 7.55924353 7.55273465 4.31379206 -0.05633596 -2.42631938
H 2.80482972 8.28966683 8.48678534 -0.30747825 -0.59340551 0.01860707
O 11.23019875 1.75447116 12.67384710 -8.08961674 0.30758778 3.18634267
H 10.10352755 2.28129354 12.53181593 5.43531248 -2.10946174 -0.36495424
H 11.87627121 1.88349515 12.06460538 2.16826802 1.42901924 -3.34588992
O 3.02705769 5.57318854 11.27872430 0.45722034 -1.55902451 -4.62711700
H 2.65855984 6.04209247 11.95480110 -1.81109548 1.85866604 2.63881593
H 2.41449273 5.70987501 10.46643728 1.23492151 -0.56474799 1.96251804
O 2.68868590 7.31693328 1.52514693 1.14816220 -1.70551055 1.65581627
H 2.80430054 7.79599741 2.35555297 -0.12811242 0.54289876 -0.17231895
H 3.14267761 6.46072456 1.83422875 -0.92573090 1.11524693 -1.37131340
O 3.27688225 3.12591328 6.60233238 -2.70509383 0.05308866 0.96564985
H 4.01749221 3.17247558 6.02267166 1.65641791 -0.43573980 0.09715788
H 3.42807347 2.75747365 7.49748855 1.04097804 0.55850021 -0.98438291
O 13.01643642 8.52409233 4.42255091 -1.15778841 2.66274262 -0.41640356
H 12.78179925 9.41729055 3.82128918 0.97810942 -2.92419297 2.81634547
H 12.60590074 8.66622933 5.33955680 0.44380175 0.20760580 -1.61898264
O 8.39073968 10.38309187 5.23294876 -7.36384568 0.20166706 2.16662766
H 8.98558778 10.23783273 4.59786202 4.48436934 -1.20065384 -4.16962515
H 7.50669623 10.12046122 4.73700388 2.15830756 0.58891636 1.53072695
O 1.31925995 5.35876593 8.83006260 1.33028373 2.29449377 -0.52893767
H 1.80558968 6.21841431 8.48805537 -1.27008906 -2.30764239 0.80446224
H 1.54096933 4.68005383 8.18949358 -0.09417129 -0.00444235 0.02185644
O 8.09043161 6.38912688 12.44910554 1.06301240 -3.62496776 1.70331483
H 8.49387632 7.19691589 12.38036542 1.76203883 3.54898651 -0.54311987
H 7.27518120 6.52279704 12.04581958 -2.50454777 -0.18819551 -1.03140839
O 1.18420334 1.21578993 6.00711385 -0.26090580 2.35191679 0.35976626
H 1.72411227 1.98832516 6.49940741 -1.83351551 -2.01670662 -2.53516447
H 0.21028603 1.53974693 5.81354083 2.50452720 0.10492981 1.02392134
O 8.87006839 0.91531253 8.69231777 1.29909111 -2.74034880 -1.07393444
H 9.63446487 0.52038123 9.28420248 -1.93896160 0.95264007 -1.44256896
H 8.85170594 0.32107774 7.78594304 0.09306777 1.31046567 1.96393729
O 1.68644543 4.29288661 4.26213084 2.76672318 -3.01077231 0.36654472
H 1.37905168 5.01763185 4.73437387 -1.19473516 3.15555628 1.22064674
H 2.28850093 3.97264973 5.00396849 -1.02849790 -0.11941901 -1.46694302
O 11.20940209 5.28423662 5.70892249 5.77454386 -1.85022253 -3.63779242
H 10.74880624 5.81565754 6.27778800 -1.55110037 2.51646226 2.45132593
H 12.24050388 5.61007219 5.61943863 -4.05639376 -0.72835758 0.94484963
O 7.44933342 3.05817331 7.91522104 -1.18582372 -8.14078169 -3.56357495
H 7.67174660 3.83092549 8.26707096 2.90542392 4.52609835 2.48341330
H 8.12810903 2.19334428 7.85912825 -1.67728498 3.86351987 1.24546303
O 9.51185451 9.49148119 3.06649726 4.45331041 1.43807467 -3.27437211
H 8.99326085 8.74438881 2.86657941 -1.07145076 -1.78216543 -0.44622630
H 10.31366382 9.41236920 2.25501460 -3.46456691 -0.01505175 3.18647123
O 8.56341020 5.16737312 9.65949496 -0.83138169 0.35033649 -0.34890438
H 7.75461575 5.81317041 9.63240108 2.87999056 -0.79763853 0.30812514
H 9.47645256 5.41872171 9.96160223 -1.75001635 0.45458804 -0.22922055
O 7.65248455 2.64258928 3.60397197 -2.97086878 3.16217944 -1.42881355
H 8.25532323 2.12256154 4.00673933 3.29433415 -3.01543115 1.94214462
H 7.17511379 2.14006143 2.96023848 0.10277266 -0.48148178 -1.00293599
O 7.04848168 1.86130675 0.43925836 -2.58917306 2.05877501 -3.25356160
H 6.08876590 2.22309992 0.23664540 2.57637925 -1.12473944 1.24546303
H 7.37942911 2.10211942 -0.49998356 0.15712938 -0.81483407 2.21607512
O 0.68006680 9.18455841 0.57688783 1.70850332 -2.10476691 1.09451355
H 1.38668242 8.61833880 1.01388237 -1.66449631 0.61961020 -0.91812044
H 1.05033739 10.05050400 0.65548652 -0.06807305 1.31820469 0.03571982
O -0.00022966 11.28073517 4.00648003 1.10199546 1.83631801 2.56285525
H 0.24388613 11.67454885 5.11061357 -0.79192040 -1.07814591 -5.83743305
H 0.20388351 11.85235240 3.17087218 -0.34817779 -0.74548627 3.18887778
O 12.29146365 0.89638915 1.99426782 -0.74172218 -4.24431570 -4.83222934
H 12.37517948 1.43824016 2.69565517 0.49910207 3.70173576 3.13041603
H 11.83912297 1.30322588 1.17484749 0.42008126 -0.00301796 1.40133874
O 6.17539221 8.90472950 4.10664799 9.49703871 -0.23788002 -3.65767219
H 6.58195906 8.68533263 3.08244666 -1.55204140 0.54024538 4.17505018
H 5.31860138 8.83762983 4.07401892 -7.68955306 -0.34243086 -0.51906977
O 7.80388215 7.23125949 2.25286614 -3.62656699 -0.54524360 2.21488727
H 6.89539072 6.70843241 2.57788678 3.73530923 1.12317621 -1.08792124
H 7.90945300 6.95010764 1.35014803 -0.04567205 -0.35458960 -0.77702343
O 4.26279760 8.55446711 12.54144696 1.27054672 -1.36405774 -1.54634383
H 3.49876625 8.11609671 12.98383911 0.86605559 -0.25822259 -0.43754420
H 4.84951225 7.86595464 12.00285039 -1.15765985 0.78502470 1.79975692
O 3.82215174 4.66033669 2.20451521 -1.59920571 0.90576886 0.85863539
H 2.98597766 4.45838679 2.69372367 0.85085523 -0.10829436 -0.10858284
H 4.07042581 3.93050606 1.66510901 -0.31382939 -1.28200869 -1.24856378
O 5.78575903 3.27930588 5.45454701 -0.45966443 -0.18361740 -1.92698025
H 6.31636501 3.10400005 6.20915371 0.89409091 -0.03847039 1.53322092
H 6.33541539 2.89979586 4.72456822 -0.42357591 0.41214324 0.77422093
O 1.20802690 6.46887389 5.85285870 -0.98061882 2.32753759 -3.34503117
H 1.02395790 7.35281150 5.08959995 0.84349673 -2.85208381 3.07144520
H 1.90882686 6.64392571 6.49475065 -0.46826065 0.67599963 -0.47755982
O 6.65419174 7.01567270 8.92229818 -1.19196351 -0.85479930 -2.91746697
H 7.17775968 7.83256356 8.99384294 -0.51343803 -0.19098104 -0.97821226
H 6.23487172 6.81082820 7.92739211 1.81479273 1.16718322 3.05178141
O 10.96815020 8.51276794 0.62793755 3.94419081 -1.39117260 2.63985465
H 11.11494395 7.48357119 0.82015588 -1.35916236 2.76770020 -0.59091154
H 11.93792035 8.85906151 0.98755051 -3.09688370 -0.92687247 -1.88085466
O 0.60033038 3.44606020 -0.02278055 -1.44751576 6.33190764 5.86288697
H 0.79418916 2.81479942 -0.58984738 1.88143573 -5.48642602 -3.02655374
H 0.58389413 3.37393335 0.97568636 0.06524895 -1.10624293 -2.38825676
O 13.02342156 5.95403738 12.24399645 -3.76399246 8.58362853 -3.15298003
H 12.25087575 6.19380757 12.78201092 0.55292606 -0.84968281 -0.25896256
H 13.41421893 5.26039718 12.53133967 3.49167148 -7.59863884 3.24608483
O 11.52590298 5.67489640 9.98218722 -0.58679778 2.45808793 -9.55823097
H 11.81144700 5.41200116 10.72758624 2.51972756 -2.72762698 9.54707238
H 12.46752090 5.65611061 9.57112236 -2.12297032 0.38243105 -0.23385830
O 12.50858505 11.42318968 11.25485841 -3.84622149 3.19200424 -3.41146848
H 12.82466260 10.70366743 10.83310417 1.65666473 -3.51523821 -1.57442028
H 12.82074669 11.52495046 12.07555934 2.17097796 0.14523032 4.69033014
O 1.14570570 0.80482033 8.53303543 0.48342451 -1.38124300 4.74690470
H 1.13758283 0.94104642 7.62618444 -0.05557543 -0.26912202 -3.02688284
H 1.72391118 0.02201801 8.77841490 -0.75874288 1.13075583 -0.75934452
O 4.79386926 2.86708742 8.86758126 -4.52967732 -12.25994637 -3.32479144
H 4.98030369 3.60282366 9.12534348 1.43496363 14.27862245 5.94989311
H 5.62737629 2.82414998 8.49017207 3.14135350 -2.19874074 -2.18214684
O 10.09659533 12.48090909 10.73282509 -5.49866447 -3.98080846 -8.07316167
H 10.89422414 12.09767895 10.73229591 5.17480829 -3.26223650 -0.62638248
H 10.22253951 12.99304679 11.37244158 0.68654630 7.43439676 8.76602261
O 3.68980452 10.84850323 1.03032919 1.47693947 -1.55806806 2.15883207
H 4.07464335 10.78727743 1.98313393 -1.19742454 0.54388092 -2.60375636
H 4.01043828 9.98800817 0.63490682 -0.31707669 1.23700410 0.23851972
O 8.67951168 2.55501574 10.90994070 2.35873021 -12.18008790 3.99924842
H 8.54483608 3.35466601 10.85390084 -2.21905245 12.98947123 -1.64614378
H 8.53123623 2.08656161 10.12718177 -0.12653377 -0.55462299 -1.96492460
O 10.66583126 5.78353648 0.76898445 -2.65167144 -1.93611796 1.08851260
H 9.66372837 5.54233751 0.44585932 3.58446774 0.98859952 1.38907972
H 10.81389504 5.34103850 1.68984804 -1.17880461 0.93897209 -2.45212811
O 8.52335149 8.98103685 12.08598413 1.37794684 0.84690087 2.71174270
H 8.93991979 9.38061857 13.03040670 -1.90629316 -1.01545213 -4.58524401
H 8.07503255 9.55963922 11.40323970 0.83825168 0.53142135 1.62658282
192
Lattice="11.85951216 0.0 0.0 -5.3e-07 11.85951216 0.0 -5.3e-07 -5.3e-07 11.85951216" Properties=species:S:1:pos:R:3:forces:R:3 energy=-30010.63542774 cutoff=-1.0 nneightol=1.2 pbc="T T T"
O 4.98498161 0.67805593 2.79911989 -1.84526031 -2.09038416 -3.44505223
H 4.47289683 0.12722108 1.96143237 2.36552821 2.08973110 3.04970910
H 5.06127838 0.02622338 3.52613000 -0.11748605 0.23959032 -0.71926102
O 1.61441383 1.48854903 8.66612350 -2.67904855 1.01811579 3.26423682
H 2.41603264 1.14701277 8.32771467 1.83087241 -1.24866663 -0.20249959
H 1.54606530 1.24866242 9.66304044 0.73159203 0.27536311 -2.96127343
O 6.46236501 8.53192416 8.87985817 -3.98114785 -0.80603576 1.09408675
H 5.42671229 8.67850624 8.84149282 1.94009288 0.06184635 0.16296630
H 6.70785031 9.11999879 8.19415034 0.67638530 1.51197846 -1.98455754
O 10.59629737 7.73101445 10.54830100 5.96357138 -6.40857794 1.49803280
H 10.12490631 8.42942253 10.56534050 -4.49370759 9.50670606 0.45892755
H 9.94615025 7.25549581 10.09601324 -2.08562762 -2.82644477 -1.66616239
O 8.46678244 6.90560384 9.26033659 -0.86381359 1.71238568 2.58946617
H 8.15821921 7.76805685 8.94330652 -0.50730492 0.33552539 1.70063060
H 8.69681578 6.74753860 8.40672083 1.73320648 -2.71691062 -3.90729548
O 1.81279178 7.13283253 1.55119832 -1.40125133 2.33441272 -0.96713595
H 2.08269333 7.82769513 0.88000582 -0.43953012 -1.08962332 0.93524399
H 0.83239046 7.41567775 1.74549632 2.12547458 -1.07598618 -0.71033415
O 2.56705452 6.60434325 8.86234241 -3.29119227 -5.35936209 -0.45543034
H 1.66611445 6.90496882 8.59912966 -0.56863036 -1.45012800 -0.19505676
H 2.86680166 7.40959221 8.92510282 4.00134644 6.71870443 0.67119681
O 2.11989449 5.63309140 4.94020793 -0.45834751 -1.94458717 0.99796348
H 1.76589610 4.90430855 5.51709576 0.18485205 1.36688082 -0.32121000
H 2.30180444 5.07780459 4.16233331 0.55378995 0.79166843 -0.20698410
O 6.40632514 3.35851312 3.10521187 3.82541612 -2.64828787 -0.55994517
H 7.22834902 2.70581008 2.88937636 -2.57034230 2.77374229 0.69282494
H 5.74797577 2.88759832 2.61877630 -1.29672569 -0.19903528 -0.40675781
O 6.65704930 7.06298114 6.13670935 -1.86834367 -0.65388815 -1.26522453
H 5.73665138 6.93576694 6.54814463 1.86928984 0.48418144 -1.43398147
H 6.56550164 6.79590540 5.14394115 0.04951328 0.40562549 1.94580587
O 9.46242936 1.00276965 10.15411689 0.31179153 -11.03646113 1.86584456
H 9.08554935 1.69763224 10.41103243 -5.26186585 9.18141006 3.69229981
H 10.04510639 1.27697869 9.58503972 5.06309899 2.09633883 -5.66414068
O 9.66610967 2.54797768 4.44733228 4.80125783 -2.03049288 -2.32624689
H 8.91372551 2.51534862 4.91806715 -4.47412092 0.33613217 2.61283236
H 9.74125283 3.27742730 3.85620429 -0.34162096 1.41706875 -0.41842753
O 8.89202925 9.96498896 1.24659334 5.24247973 1.35393274 -0.22461313
H 9.10364721 10.94539558 1.37676035 -0.66800350 -1.81357403 -0.15407594
H 9.98134054 9.60366676 1.28902806 -4.57711932 0.51979482 -0.02104345
O 11.09351228 7.90897675 1.23616325 -1.62202169 0.09091319 -3.59727183
H 10.64905634 7.59824389 0.28323575 2.00999090 0.99021418 3.21612633
H 10.72615746 7.31783288 1.87072611 -0.30036761 -0.62227386 0.87928649
O 4.30275577 11.36037634 0.12541923 1.54516626 1.92420860 -0.75354411
H 5.11270382 11.44425093 11.39598997 -1.27794121 -0.04728979 0.98389955
H 4.23303138 10.45082656 0.30522941 0.06744621 -1.77549084 0.45757669
O 2.75482247 10.46051050 4.23078767 -2.43488629 0.76418334 -3.16438545
H 2.97169517 9.65589655 3.59870137 -0.78108577 1.95682048 1.61016890
H 1.99227811 11.05525276 3.75286656 2.84060126 -2.64253889 1.84653557
O 0.78581757 3.40544585 1.82902694 0.82730907 0.67712064 -0.57544893
H 1.13331766 3.79812180 0.94946563 -0.87139321 -0.56219232 1.78139410
H 1.00253152 4.09395832 2.48774673 -0.32807073 -0.51503314 -0.65531254
O 7.57448383 1.03266816 7.81425402 -10.68478561 2.82180135 -18.13286064
H 8.36724421 1.09905344 7.62433232 12.52518139 1.39641765 -3.09212202
H 7.50611414 0.89371681 8.55870052 -2.29306423 -4.09254862 21.45071525
O 5.36130599 5.70897541 11.74101351 -1.28266175 1.45736823 -0.96367525
H 4.87473283 6.55745815 0.17461842 0.93877154 -1.76698564 -0.77527508
H 5.23865329 5.63880651 10.70604872 0.35020844 0.86686292 2.17503002
O 11.17706936 3.77555768 9.86349277 -2.77670934 -0.60259463 8.53102376
H 11.44414510 3.97124741 9.06491144 1.39636109 2.31793195 -6.59266894
H 10.64281205 4.50117606 10.36155436 1.37592082 -1.95324665 -1.78006741
O 7.11087168 10.33218503 6.82082965 -2.39220084 -4.61477056 -4.07047826
H 7.27179447 11.17495265 7.04260782 0.98629067 4.93883757 1.72020184
H 6.52634253 10.45770586 5.93324071 1.45490511 -0.83597883 2.55840210
O 1.89233241 4.03908793 7.81573572 -0.31807531 0.14623459 0.03162920
H 2.12762047 4.63906905 8.50916954 0.10249035 0.97387224 0.40821356
H 1.68049219 3.23523071 8.30226125 -0.05828023 -1.13124948 -0.27418658
O 3.92645786 0.12566107 8.17912171 -1.84994486 -0.00533710 6.91133149
H 4.54383832 0.74884396 8.66194300 -0.69674330 -1.03232885 0.20498224
H 4.16833417 0.15175956 7.33947623 1.91109084 0.30887539 -6.45737749
O 0.27262257 3.27850682 5.47947126 -1.50048563 2.02705788 2.57256888
H 11.37598707 2.67738268 5.36590983 0.33352147 0.53322627 -0.36634829
H 11.71418423 3.96954876 6.24212145 0.99881194 -2.18261992 -2.41700684
O 9.99615750 1.64107907 7.53410761 2.23134747 -1.71249881 -1.74747096
H 10.16634089 2.56725032 7.48415328 0.15231988 1.00560480 0.01816433
H 10.73626474 1.19417304 6.90819681 -1.84652015 0.99457477 1.78774987
O 7.31756830 1.08883503 1.15327294 -8.42242035 2.61158794 -6.43115223
H 7.72392347 0.84207969 1.82270857 8.98492634 -3.70063533 8.96147788
H 6.52210911 0.94220531 1.78307848 -0.82909856 0.57344346 -2.42650964
O 0.03467910 6.15893479 3.21348153 -2.05647645 -0.00934236 -2.16971298
H 11.16182906 5.50391924 3.29587442 1.03581526 0.45934664 0.87367120
H 0.66894879 6.33938422 3.87097363 0.55175878 -0.71396455 1.78062277
O 5.55853033 10.44754566 4.53840896 2.97783647 3.64125313 0.68431973
H 6.18602867 10.09564281 3.90605807 1.15269762 -0.93162901 -1.16783628
H 4.93513841 9.81957106 4.59966652 -3.74850928 -3.38008559 0.44478905
O 10.66466707 4.75455140 7.24538852 -4.63410526 -7.43002588 -2.90458574
H 10.96359927 5.52175252 7.46150450 3.30660346 7.48756718 2.54163851
H 9.63118398 4.92349651 7.01313265 1.80159783 -0.46606648 0.17337721
O 5.29621719 1.31512179 9.94488023 1.66618810 3.36171249 -1.24977734
H 5.79639549 2.23781104 9.44792991 -1.51753719 -2.50321594 2.44551009
H 4.71225955 1.70390828 10.63016471 0.60818421 0.23605917 -0.62911814
O 4.24634548 3.27084963 -0.01686276 -5.25096437 0.47712942 0.03396633
H 3.22342477 3.70401822 11.75942888 3.74581476 -2.10143476 0.09189226
H 4.70757104 4.08667155 11.74381815 1.21478977 1.16521890 -0.00207848
O 8.22240841 5.14470317 6.77637876 -1.07742600 3.47768982 -0.44485384
H 7.67079408 6.02653466 6.42331173 1.32500783 -1.73675460 1.52069965
H 7.76239466 4.52431168 6.25132913 -0.48957613 -2.00521893 -0.60698094
O 7.04784667 9.07189658 2.88574091 2.77201451 2.47819910 -1.13945644
H 7.89294268 8.81699192 3.44820337 -1.77954805 0.75596095 -1.52673660
H 7.48664041 9.80893460 2.11945527 -0.88557027 -3.68696735 3.19896165
O 1.90844586 11.50230167 10.86157391 0.11318563 1.26553306 2.23406770
H 2.73921174 11.72630238 11.37577540 -0.26298274 -0.52035018 -1.29391805
H 1.28202175 11.79419582 11.56765506 -0.12392461 -0.56168324 -0.83456986
O 3.16129936 5.12096428 2.50899320 3.35241538 -2.57907377 -2.35332575
H 3.85726264 4.60764651 1.87872197 -2.57983482 1.73936170 2.42011273
H 2.86725675 5.84746109 1.95204477 -0.57886849 0.34433862 -0.02714674
O 3.67249513 8.20648017 3.21687884 4.56968883 2.84109491 1.32452960
H 4.27750343 8.43497889 2.47086598 -0.91780676 -0.69731922 0.63949511
H 2.96089466 7.75927251 2.90007632 -3.29540887 -2.31698578 -2.03000437
O 9.71987408 4.70013081 0.29269479 11.72932206 7.08189849 2.25105755
H 9.07829963 5.31018747 0.21719973 -3.03161367 5.41386948 -0.40814414
H 9.16683097 4.11325741 0.19155686 -7.93231663 -11.68628179 -1.89503687
O 0.36576200 8.80593212 6.71578797 -2.13135212 -5.58453932 -3.02852835
H 0.58144404 9.48941740 7.21490792 1.78457712 5.13245193 3.14741102
H 0.50214948 8.91086796 5.78343065 0.29650889 0.64711586 -0.28102982
O 6.78563936 3.58511739 9.22435254 0.57847768 -2.75237642 -3.04855724
H 6.22333566 4.43231952 9.10105425 1.42990370 -1.20575491 -0.85119462
H 7.16796990 3.01402405 8.34247872 -1.79664588 3.23416005 3.26205652
O 9.18926809 8.22494846 6.91798658 1.25202963 -8.09897555 -2.37459392
H 9.93286790 8.53261209 7.27311741 5.00792311 1.91442813 2.05702152
H 8.61622209 8.84821338 6.96788799 -6.45763460 6.74369555 0.54898713
O 6.68006851 9.71833946 11.25845681 -6.74966051 -1.07386759 -4.75488026
H 6.72012723 9.37003502 10.32477654 1.28210640 0.36324497 1.36762129
H 7.31021273 9.87375881 11.83621249 5.76101985 0.63489798 3.21296902
O 0.04554575 10.64185953 8.85620395 -2.81552786 1.33009347 -5.06813321
H 0.45666512 11.08721507 9.53688460 1.73072279 1.48672509 1.97437597
H -0.15584533 11.42483013 8.06688322 1.28276460 -2.84089951 2.78540996
O 1.51898731 4.37321042 11.43012190 3.72913344 -0.64221534 2.42356316
H 0.90791463 4.15169155 10.81680551 -3.58593327 -1.86992747 -3.45043098
H 1.46422805 5.28816311 11.45372320 0.19559977 2.81400063 0.49868504
O 11.78710485 6.88163211 8.50144355 -0.58487973 2.90218433 1.15100584
H 11.52918387 7.39816198 9.50359935 0.59955045 -1.30997716 -4.01390371
H 11.69841475 7.54183360 7.69889339 0.67253893 -1.25778376 2.38868871
O 7.25988798 2.79732598 5.61663399 -2.54039409 -3.33791436 1.26847441
H 6.79294201 1.97455597 6.18412363 1.68025203 3.42114611 -2.24199184
H 6.71150164 2.88484131 4.79397510 0.28269436 -0.15076590 1.19338790
O 5.56122914 5.78771698 9.21652071 1.67286783 4.96011088 -2.76564846
H 6.01081809 6.80241428 8.72068167 -0.94785268 -3.72734395 2.72562152
H 4.95527890 5.60911967 8.49916809 -1.18002331 -0.90322346 -0.52358463
O 11.76773696 0.11012284 6.38494638 -11.65604562 -6.32743392 4.29023047
H 0.58290457 0.41451139 6.01637445 9.71090309 4.03732646 -5.44004331
H 11.27480839 11.25173626 5.80682028 1.90302271 1.90842717 0.76796286
O 2.22897379 8.71914705 11.24369277 -1.15879628 0.46554506 -4.50140547
H 1.81503020 8.10911157 10.49342532 1.45452459 1.92602380 2.61515663
H 2.30891659 9.63298318 10.74653078 -0.68088473 -2.08351931 1.58721409
O 4.31629741 4.44954424 7.07356468 1.08906281 0.45543136 0.17450953
H 3.38133654 4.20713874 7.24914568 0.00082738 0.14027323 -0.52571350
H 4.42891691 4.97392181 6.27762924 -0.58649953 -0.53861530 0.01352452
O 11.34090262 0.86786121 0.35409576 -2.25028622 -11.25685611 -2.56652164
H 11.46732306 1.66191807 0.52815061 2.26409818 11.70628497 2.48691000
H 10.74097442 0.85365280 11.43700120 -0.08469472 -0.11073485 0.29538686
O 4.44917381 0.69751906 5.84253974 0.38017568 -2.10782652 -2.80343339
H 4.69785535 11.80636690 5.13986649 -1.29579495 2.63726812 2.88924654
H 3.43668318 0.89587585 5.76168146 1.93107859 -0.08497239 -0.40489993
O 3.70659531 9.27562981 8.31242145 0.20189332 -1.39307522 3.99765947
H 3.83575159 8.89329927 7.50013443 0.05958841 -1.04175451 -3.37470170
H 3.57195675 10.19862070 8.29109561 0.10626473 2.29977481 -0.31042885
O 8.16901443 3.04062050 11.33576960 4.71688964 -5.96799367 6.30624803
H 7.69280785 2.30909651 11.79334914 -0.03805284 1.07579592 -0.46705789
H 7.69974008 3.50849253 10.80590446 -5.41062989 4.15984467 -5.75289517
O 9.58948481 4.80810413 2.93713989 1.28476492 -0.81633560 -0.50461143
H 9.53789003 4.78692646 1.96369196 0.66276359 -0.26055767 -0.25350051
H 8.86726375 5.34066807 3.17176119 -1.86131942 1.07020634 0.89592153
O 9.70844385 0.39092966 2.59709591 2.72502502 2.54459013 -2.40257781
H 9.81073380 1.17865228 3.17897917 -0.55185648 -0.51707974 0.53728347
H 10.35827346 0.79893058 1.79802245 -2.02808118 -2.19004012 2.16619571
O 4.61971704 8.37978571 0.42782019 4.90530010 -2.43898463 5.84951723
H 5.44676810 8.63035112 0.01502334 1.61939402 0.34207862 0.53279432
H 4.10770634 8.63606623 11.65819728 -6.37119410 1.87709571 -5.98897388
O 7.88283539 6.67477674 0.29948361 5.40631044 1.77566568 1.65329659
H 7.08123775 6.42558719 0.05868311 -6.60228487 -2.68397479 -0.68329128
H 8.06878826 7.08324863 11.33338831 1.09767087 0.88805910 -0.83253355
O 7.00794671 5.89339367 3.63894000 0.82486138 -2.11233109 2.39509076
H 6.78436934 6.50723923 2.98653330 -0.84006688 0.90862792 -1.96459550
H 6.72113266 4.93345034 3.49856516 -0.02031686 1.87506454 -0.58755368
O 11.22263152 10.24550580 4.11668119 -1.46946270 -0.13030969 -0.81478265
H 10.73959856 9.32844169 4.06631939 0.49753575 2.58714189 -0.03056271
H 10.70424952 10.93671707 3.56134146 0.90550660 -1.86323746 1.05257372
O 2.10819967 1.43529793 5.43597289 6.01201096 -14.54941106 -9.04025649
H 2.00710566 1.63465486 4.29483928 0.47301463 -1.88215050 3.65822241
H 1.78774583 2.13017640 5.60065284 -7.48972690 16.19687124 5.26006608
O 9.32595456 10.15835031 9.79469973 -1.06461676 -3.57519634 0.07944915
H 10.20333037 10.34895994 9.51889257 1.17917999 1.47031630 -0.53469179
H 8.71840621 10.84188851 9.96710567 0.09322255 1.57596808 0.18880178
O 9.36172694 8.37999738 4.35479506 -0.29175904 -4.99013622 1.37220300
H 9.47608213 7.33201483 4.13923472 -0.26820619 3.92838881 0.52060215
H 9.20191542 8.27199231 5.41639333 0.68920482 0.44673795 -2.53490221
O 2.04336488 1.12198798 2.65440051 -5.30644878 1.12177239 -0.59781238
H 2.89195345 0.98516921 2.83313011 5.87445693 -0.91015002 0.95844562
H 1.96853922 1.99665441 2.23676327 -0.58625270 0.14200872 -0.10799200
O 3.91804923 7.52225404 6.21423381 7.76087546 2.91993008 12.85711083
H 3.71856001 7.69995175 5.46169090 -3.01753431 4.55262185 -14.89830978
H 3.44523468 6.81987713 6.27837009 -4.99806550 -7.50865022 1.95828601
192
Lattice="11.94197385 0.0 0.0 -5.3e-07 11.94197385 0.0 -5.3e-07 -5.3e-07 11.94197385" Properties=species:S:1:pos:R:3:forces:R:3 energy=-30015.66762935 cutoff=-1.0 nneightol=1.2 pbc="T T T"
O 5.14922763 2.99854033 11.82234805 -1.48732672 -4.92873313 0.62501466
H 5.05602894 2.16301714 11.23432633 0.68909684 2.44889881 0.92057841
H 5.45968003 3.71744873 11.36339265 1.49754943 2.26843821 -1.99925397
O 0.02658798 8.32411627 3.14541346 -2.20193405 -0.44010553 -3.29945579
H 11.71757096 8.05756971 3.98546111 -0.90278638 -1.37344741 2.74839635
H 0.85751050 8.64537975 3.31731139 3.34421356 1.51628763 0.41665758
O 4.31843000 7.92633376 10.62079828 -2.01661920 -0.40863163 4.06951667
H 5.06147418 8.13292454 10.10448007 1.96876583 0.58996537 -0.66687222
H 4.48512082 8.14583646 11.66534117 0.12306329 -0.13405939 -3.90751659
O 10.36959785 2.66193599 11.26697657 -0.96746505 0.05322647 -1.90896196
H 9.93646631 2.21622591 10.45405454 -0.38598740 1.11394081 1.20604288
H 10.95544994 1.95282266 11.46515343 1.33415581 -1.18109803 0.94184658
O 9.00072225 7.17738925 8.34814091 4.73256823 5.43402693 -1.27610030
H 9.42977913 7.49341388 7.40345376 -0.85022274 -0.48953602 3.11571446
H 8.38348995 6.60010983 8.11614962 -3.80870909 -5.04300325 -1.48068813
O 0.00410747 7.47997278 9.45644966 -0.54292961 1.01069558 2.97970309
H 0.72459177 7.18590901 8.93161170 1.45944054 -0.19378406 -0.46331282
H 0.22899085 7.54379155 10.46765439 -0.30626315 -0.17144169 -2.86844631
O 2.13573276 7.37397859 7.69815254 -4.93650301 5.32439508 -2.97490027
H 2.06348420 8.51123333 7.56654617 0.05212141 -3.75525585 0.23974099
H 2.87957071 7.23538707 8.14525437 5.09650277 -0.59658339 2.57676492
O 8.90494117 2.75072664 1.67223703 -1.17742135 1.53543207 -1.47156072
H 9.23800531 2.78237144 0.73449797 -0.08361382 -0.11829235 0.76112372
H 8.40560956 3.63427266 1.77077511 1.20718444 -1.29888542 0.14418439
O 0.96107577 7.48145448 0.21886134 2.46553385 -4.13641164 -3.65709627
H 1.30050591 8.19923044 0.68707311 1.23412961 2.36699374 0.89942337
H 1.81657540 7.06208154 11.60062280 -3.35624632 1.99238912 2.54387022
O 7.41403730 8.91600098 4.38865711 -2.02580832 -1.73764935 -0.45349532
H 7.43869696 9.71606400 4.88360713 -0.18352587 0.92719643 0.35465697
H 6.39732913 8.56171683 4.45494184 2.43797162 1.26638153 0.45404965
O -0.04618500 2.40125801 5.16722495 -5.46930247 0.03906586 -0.95249609
H 0.82697698 2.57910918 5.29881016 3.64278036 1.12901776 0.59909793
H 11.34074387 3.22854191 4.96834428 1.40326193 -1.18049125 0.46277032
O 2.70771512 0.57241628 3.74706149 -2.78335307 -4.27478328 0.78117833
H 2.73502595 1.03506004 2.96046073 0.09434047 2.24009436 -2.69273711
H 1.96374488 -0.14060027 3.49074922 2.02945929 2.32181431 1.31407035
O 3.48155741 -0.05359877 0.22336200 3.45821114 -1.54797905 0.67382962
H 4.18497680 0.09326695 0.93671775 -0.76292864 -0.51104022 -0.98346760
H 3.09961317 0.77437676 0.37631432 -2.58282244 2.40810054 0.09231495
O 11.30830531 3.61174559 8.42577121 0.24281037 -0.19743760 -0.20383553
H 0.09872912 4.13801232 8.03185169 -0.34378686 0.17584444 0.55827910
H 11.59448434 3.27621548 9.28224452 -0.04624438 0.39227221 -0.30957061
O 7.00678252 11.07594359 8.81238808 0.58561507 0.56296365 -0.45124509
H 6.25185831 11.43350863 9.28229744 -0.27573129 0.29378970 -0.05666403
H 6.84845270 10.13104477 8.71449029 0.15670309 -1.08738646 0.47135883
O 2.01795908 5.22620175 4.41109422 -0.74155249 2.21983407 -2.71234948
H 1.29751606 4.73674988 4.78733392 -0.52655682 -0.08231902 -0.04443895
H 1.56008321 5.72876664 3.57193029 1.40348304 -2.34114901 3.08771000
O 0.19025561 5.38390185 2.40660799 0.74164505 4.70701146 -1.35471950
H 0.18172210 6.46913847 2.29134261 -0.28961062 -3.65159411 0.44765738
H 0.44535342 5.11285199 1.50363058 -0.32984993 -0.14174493 0.36209208
O 8.30824095 5.11384155 2.58975093 -8.30260694 -7.17903477 -3.48233323
H 8.25193650 5.89344659 2.28303982 0.43413543 9.10792793 -3.30574471
H 8.91081504 4.90954211 3.13059121 8.13836486 -1.70451297 6.64964459
O 4.75302207 5.03908998 9.73686066 -3.48795366 -0.77334161 2.69928314
H 3.85740023 4.80086499 10.32239525 2.67697110 0.28015513 -2.49439705
H 4.45564036 5.93292321 9.54349931 0.71386685 0.39813792 -0.35976832
O 8.69713328 1.70050567 9.41517384 -3.90313029 -0.05852705 7.13121225
H 9.04596690 1.67153322 8.60235764 0.75318930 -0.75617692 -5.43181578
H 7.71614457 1.46547161 9.63293026 3.20819705 0.70815385 -1.81145544
O 2.45164097 1.89878837 9.33140509 -0.07506593 0.11255519 -0.35233835
H 1.98299634 2.24412413 8.55901803 0.55188219 -0.41844501 0.42754363
H 2.37495790 2.69198268 9.90937243 0.11926269 -0.15238930 -0.08445457
O 8.13176035 4.69422519 8.74719345 1.38153611 -1.18537120 0.39789830
H 7.41551900 4.16078282 8.35507313 0.07490190 -0.24586176 0.45671589
H 8.88885418 4.07411417 8.93965520 -1.45973364 1.06334150 -0.58879809
O 10.06828435 8.49731597 6.39743496 0.61231341 0.94268476 0.33625147
H 10.51226403 9.34870918 6.66541030 -0.78784263 -0.84688031 0.09297624
H 9.38569867 8.65337033 5.76596780 -0.89390579 0.45458804 -0.85169341
O 6.26535233 11.19813061 5.96250421 -2.17551339 -0.80761956 -0.52643341
H 6.45993079 11.11780151 6.87067814 -0.12532072 -0.41300559 2.31962887
H 7.06239904 11.60199866 5.71797142 2.19739348 1.45104331 -1.47844613
O 4.73996727 10.55682075 3.58296364 1.87120788 1.69750928 0.99290355
H 4.25180659 11.35619584 3.29485840 0.14874039 -0.31931869 0.45702185
H 5.45338282 10.93724625 4.20996984 -1.76528356 -1.08528844 -1.34377688
O 2.44773035 3.15689131 6.27471877 -8.38781330 -7.45707389 12.99487055
H 2.84629604 3.49299293 5.66463036 8.52521307 4.58212269 -11.28272141
H 2.66292026 2.26956168 6.71996847 0.64878193 2.11857888 -2.14766320
O 7.23147116 3.08449987 5.69913272 1.94319363 -1.61276571 0.14107541
H 8.05540008 2.43947519 5.86656439 -2.35671447 2.04339467 -0.40019172
H 6.86850851 2.94020383 4.81590420 0.31829797 -0.13550949 0.44837677
O 4.16634976 3.39499460 4.19565030 4.34603369 -4.65534257 3.95305597
H 4.37346972 2.67013295 3.60780851 -0.12234852 -0.25304953 -0.54404033
H 3.73083162 4.01442828 3.78332071 -4.02632214 4.94673600 -3.75673681
O 11.14621833 1.89877250 2.49592252 -3.79903660 -0.74031836 -7.07511078
H 11.27978266 2.02415045 3.34480214 1.34182799 1.21596219 6.78858702
H 10.11067145 2.09189043 2.31046178 2.44881653 0.39238380 0.31058414
O 4.92615827 7.12283108 7.20490647 0.94501932 -2.08300509 3.18883664
H 5.73008958 6.60180320 7.03620477 0.09921271 -0.55806312 1.19893635
H 4.98028781 7.47298764 6.37716748 -1.20730786 2.21869764 -4.08500500
O 11.88071629 11.53733320 2.79595541 -2.38337167 -0.50159141 -1.57226055
H 11.33397040 0.54104136 2.50701937 1.84658185 -1.98876901 0.72369360
H 11.33508167 10.78473738 2.40013086 1.43889228 1.57334042 1.06796434
O 6.11559518 5.54122624 3.91132868 2.37242391 2.32286846 -0.91935457
H 5.54477172 4.83089050 4.04143748 -1.41399371 -2.14944754 0.30901526
H 6.98974301 5.27081668 3.47686361 -1.46630024 -0.06855847 0.26563868
O 10.90517811 11.30396605 5.85994967 -1.07227865 1.29416487 3.20170244
H 11.56077575 11.73990224 5.38585981 2.06663230 0.62324574 -2.50164756
H 11.03117520 11.89495116 6.67901016 -0.57519181 -1.65315261 -0.58703432
O 8.79397271 7.86468461 2.42583829 0.70562389 0.86432267 0.05143492
H 9.64658303 8.33840405 2.65460689 -1.79860506 -0.90121286 -0.37787969
H 8.05682886 8.26934643 2.96349292 1.33652637 0.03489399 0.02848525
O 11.73561590 0.17687854 11.20130567 1.75948830 -1.90686394 1.57336613
H 0.38896377 11.47086855 11.74048433 -1.64983588 2.12620477 -1.49384704
H 10.99249235 11.56596169 10.91253367 -0.26609171 0.00872530 -0.06189828
O 3.23254778 0.14214970 6.19163795 3.98604323 -2.49740524 4.46885530
H 4.24074149 11.72783700 6.43389527 -3.96801465 1.66557618 -1.23335313
H 3.31809986 0.54172400 5.36797362 0.11785321 0.87181487 -2.67811267
O 5.16928874 8.98622279 1.01561807 -6.33226760 -1.67814373 1.98436728
H 5.94885144 9.33701436 0.83785686 5.42595367 2.65144005 -1.24977734
H 4.55886696 9.71405313 1.32602284 1.13686477 -1.62559552 -0.26980182
O 7.60533486 5.97377569 6.09040635 -1.27036160 -4.63318994 -1.02629704
H 7.02207574 5.99129145 5.23905547 1.27716474 -0.06393871 2.04196514
H 7.62427941 4.80364317 6.21365172 -0.02514282 4.83449191 -0.69928869
O 2.50126721 9.67076643 1.18318732 -0.11350341 1.00688007 0.55724551
H 2.11567694 10.08310131 1.99604585 0.60969088 -0.36631281 -1.22656028
H 2.87062761 10.42606106 0.61421599 -1.16147023 -0.80933705 1.04589399
O 4.85498923 1.43118093 2.17289688 3.70122154 0.14568026 -0.97323461
H 4.83397031 2.12541910 1.48626828 -0.56235687 0.13789239 0.23958055
H 5.93318780 1.27421110 2.11709514 -3.18078909 -0.12385313 1.07260261
O 7.46044614 0.74814545 2.38443017 -6.55672492 -14.62376737 4.35994336
H 7.29677163 0.10983232 1.60535961 0.20947088 1.32833483 1.17312761
H 7.74805396 1.43800732 2.10319895 6.25904257 13.21819659 -5.56458756
O 10.10855474 6.45918994 10.66884757 -1.98621848 0.62866562 -3.01378564
H 9.36400240 5.86296598 10.80743908 0.03479937 0.05790793 0.40134718
H 9.81967690 6.82225843 9.62991395 1.16416474 -1.30766831 2.87919866
O 9.48804154 10.69318972 10.32869246 2.60973161 -2.05143194 2.81272022
H 8.73957329 10.96661558 9.89000455 -2.78640754 0.93571707 -1.77587651
H 9.27298392 9.84571242 10.85522378 0.11528159 1.22321270 -0.94098269
O 7.49775314 5.46677100 11.29639882 -2.71754825 9.48068649 20.03599134
H 7.56855705 5.14225308 10.60878595 1.59328189 -9.03012634 -19.65017157
H 6.75600544 6.09453393 11.28422774 0.72165729 -0.60882185 -0.30621841
O 1.52250633 4.96221112 7.80472883 -2.27415634 -13.52981431 0.28247787
H 1.78438026 5.71627806 7.68068970 3.46541537 13.71385389 -1.78707624
H 2.18618452 4.48996279 7.18760237 -1.66400780 -0.40113583 1.19485343
O 6.67260711 8.43778353 8.78540004 0.45137571 0.12579432 -3.25604528
H 6.00610842 8.54425399 7.94586040 2.62916401 -1.37722179 2.82991576
H 7.67402206 8.04280566 8.48715576 -3.03441617 1.28854444 0.85767894
O 2.12547731 4.28368422 10.20989217 -0.76495981 -0.50814052 5.76605922
H 1.22387576 4.61882273 10.84538108 1.83199855 -0.38362250 -1.28497061
H 1.97826021 4.67071385 9.40305568 -0.55712210 1.38710512 -3.52028272
O 9.50471062 2.13714037 6.88586553 -1.64879201 -5.02969008 -3.94544551
H 10.14078163 2.70397383 7.15537548 3.28945420 3.27568337 1.62010879
H 10.02986609 1.55091786 6.21232877 -1.61511056 1.77762486 2.07957010
O 5.03883069 7.94289700 4.75405926 0.25008094 1.27002221 0.59311241
H 4.33245849 8.53758635 4.44358570 0.25328608 -1.22927022 -0.41931867
H 5.34431940 7.24554728 4.18448466 -0.80162889 -1.00068885 -0.91713313
O 5.25812172 0.62941925 10.05309696 -2.00698271 -0.10072554 0.72155444
H 4.51422557 0.16398567 10.56803931 0.87049846 1.05034200 -0.92234219
H 4.81670855 1.16810048 9.35389512 0.29928054 -0.57573175 0.58947687
O 3.10608501 4.28698629 1.10655717 1.28124251 0.13894808 -4.97151629
H 3.45333110 4.25338883 -0.03038853 -1.56905181 0.24026035 5.52792362
H 3.35449667 5.18174028 1.47436179 -0.01610745 -0.69542175 -0.48096345
O 3.79582517 6.63683473 1.99987710 2.28440476 -3.41877041 1.57617891
H 3.02417896 7.05128632 1.83737736 -3.61413827 2.64305311 -0.78540008
H 4.50810299 7.15378795 1.70478142 1.23726635 1.32290466 -0.57395254
O 5.90498265 3.23273299 8.10561900 0.02334202 -0.57631796 2.12695039
H 5.97594531 3.21990574 7.14733199 -0.84667462 0.52877826 -0.03424144
H 5.26910215 3.74693449 8.69893248 0.75807440 -0.06798717 -2.25505818
O -0.06523273 0.88494834 8.30712968 0.78504527 4.54402922 -3.54119093
H 0.23512243 0.71754313 9.16196254 0.92418824 -0.71857711 2.35905931
H 0.31790162 1.91430914 8.10434897 -2.29924517 -4.47426490 0.71951299
O 1.94314930 1.97503223 1.25822994 0.63354043 3.50724208 -0.89386465
H 1.00245214 1.99989826 1.49011011 0.39002044 -0.06754443 -0.14723680
H 2.24356849 3.09367581 1.02409020 -0.77946598 -3.58191721 1.58078119
O 11.26290190 9.83026044 8.42635330 6.67633265 -4.87125354 -6.50849102
H 10.73372469 10.18909551 8.96733117 -6.46966736 4.47442431 6.40029899
H 11.58686419 8.98892160 8.85546310 -0.34432679 0.34501122 -0.28787307
O 6.78585103 11.22617700 0.32111849 0.97042696 -0.56316934 -1.81320893
H 7.67370456 10.84882074 0.07879396 -1.25773748 0.38972425 0.06210706
H 6.40039835 11.50881055 11.39159780 0.73469792 -0.21074409 1.36709679
O 8.47720723 0.03996981 4.78167173 2.07994033 -0.00754053 3.31582858
H 9.45745510 11.87986961 4.98581242 -1.65021641 -0.33369168 -0.60257921
H 8.27336817 0.05330190 3.88594934 -0.20483723 0.28830245 -2.70065096
O 2.55765104 9.44306148 4.38945616 -0.58202581 0.30001331 1.94623268
H 3.45437887 9.88386609 4.34895294 -1.36973988 0.27570507 0.01916963
H 2.13098075 9.60419594 5.31558507 1.29247309 -0.31896748 -2.20410406
O 11.72741366 6.85633744 5.58213164 2.54419418 -0.88458811 0.12680990
H 11.06858803 7.60115436 5.85651002 2.02483645 -1.24885175 0.69447044
H 0.77326020 6.69149874 5.96435633 -4.04590880 1.51517177 -1.05321135
O 0.09997745 4.94386984 11.50722302 2.06323331 -7.48587025 0.89527361
H 11.43959417 4.14007611 11.22580658 1.09958377 1.64688940 1.10400607
H 11.53161809 5.63637230 11.31142745 -3.49948249 5.09203933 -1.71298218
O 1.60492568 9.96096721 7.05747770 -7.19369006 -8.84104740 0.23614299
H 2.04458199 10.66974717 7.02234033 5.50555503 9.12032065 -0.34974050
H 0.61843353 10.17401396 7.20014387 1.99987103 -0.36093046 0.37529059
O 8.71528406 8.51049248 11.59019801 -2.26056035 1.36012396 3.41944404
H 8.53075997 8.07439754 0.54262360 0.41137139 1.58668958 -0.98157527
H 9.10930941 7.77551825 11.21300049 1.91790426 -2.50678463 -2.03957401
O 10.40992116 4.58575974 4.08255984 -1.59612553 -7.10863796 -1.55276130
H 11.11907154 4.90012276 3.57336436 2.46432029 -1.13270987 -3.49161491
H 10.47987838 5.35802509 4.43502361 -1.02176161 7.85502927 5.92351359
192
Lattice="12.84540106 0.0 0.0 -5.3e-07 12.84540106 0.0 -5.3e-07 -5.3e-07 12.84540106" Properties=species:S:1:pos:R:3:forces:R:3 energy=-30006.76243117 cutoff=-1.0 nneightol=1.2 pbc="T T T"
O 7.84076580 7.71423953 12.17827264 -3.28308815 0.15335654 -2.90891033
H 7.01524936 7.43033596 11.52801968 2.68138826 0.72099394 2.08833756
H 7.93966902 6.98688546 12.77148029 0.47905260 -0.88237182 0.43988853
O 10.31228796 7.01588437 9.48132099 1.22516160 0.63469229 -0.38459592
H 9.97731879 6.20878329 9.82115859 -0.89671857 -1.45830925 0.40996757
H 9.57091069 7.45277307 9.09883170 -0.69936068 0.52398058 -0.33818288
O 4.59635916 6.57640269 0.55982715 2.20280822 -0.13331531 -1.08720134
H 3.86099334 6.79500580 1.04912028 -3.03808771 0.33582415 1.60819429
H 5.18633883 7.27142404 0.85036132 0.59527213 -0.04328710 -0.23387733
O 2.59434419 2.71248300 2.91090858 -0.51887951 0.76268181 1.95934016
H 2.21726839 2.53618761 2.02231950 -0.19540745 1.15977844 -1.01703078
H 2.07413653 3.49271246 3.25917069 0.93486346 -1.67295524 -0.61819609
O 6.55243097 9.17148773 4.73347956 -2.24319511 3.11729826 -3.73103092
H 6.57005257 9.53656709 3.71310419 0.19656085 -1.17912342 3.40955044
H 5.75676011 9.71960949 5.07513224 1.61336221 -1.75618700 -1.24827068
O 5.49137774 5.54942848 7.95316304 -3.91611436 4.24840376 1.80621039
H 4.60427036 5.96552052 7.57104418 2.34179693 -0.89751562 1.62091097
H 5.67452598 5.01031862 7.26666145 1.29754844 -3.16795928 -3.27208897
O 9.62779724 1.50230235 4.95462272 1.18770577 -0.73857001 1.48010707
H 10.28196611 1.97349761 5.49910373 -0.10833035 -0.62583227 -1.12645180
H 9.02257727 2.15661409 4.67446572 -0.80449310 1.41146375 -0.54678112
O 3.42009348 2.12959960 9.70479253 -1.66060881 -0.43864566 -0.54255937
H 2.60696507 2.00132704 9.15767621 0.85182197 0.02898045 0.47504888
H 3.92752679 2.63514904 9.09967839 1.06339806 0.82812154 -0.99992780
O 4.35923485 12.27246618 10.16660548 12.16142169 4.35399383 -2.15400868
H 4.66498286 13.55005872 10.28852791 -2.23373860 -5.16904902 -0.60082572
H 3.55536175 12.28760065 10.37081496 -10.77621405 0.42207233 2.86486733
O 12.03544771 7.04694707 3.38895669 10.10839566 -5.98912814 9.81405575
H 11.52267499 7.28057881 2.83094990 -10.00539726 4.48747523 -12.01497164
H 11.82218930 7.58914204 4.10059949 0.23544056 1.39642794 2.13381009
O 11.58368913 9.54365806 5.15679487 -1.53310265 -2.73136536 0.73492932
H 10.79045249 9.07279618 4.80514603 0.76933583 1.24533448 0.50493230
H 11.36154053 9.68923472 6.11797648 0.51612329 -0.34999556 -1.11875392
O 5.64198158 6.57195761 3.96484966 0.03712416 0.08858634 -0.53793139
H 6.05161766 7.38265709 4.30472960 -0.65616100 0.02475304 -0.18828293
H 4.75472073 6.76256724 3.59180619 0.56568387 0.06070478 0.75754475
O 2.89627683 7.21263245 3.64162293 1.91378535 -3.79108675 -1.47300568
H 2.04529108 6.88353715 3.44949456 -1.23576483 -0.19906716 -0.35010354
H 2.79726248 8.03926017 3.96923654 -0.71649965 4.18503634 1.58679757
O 7.61269043 5.06855986 2.85920797 3.66872794 -4.85788895 -3.76872843
H 7.43033596 4.26869792 2.17089129 0.39692385 3.16441116 2.80395275
H 6.82596267 5.43851294 3.08211857 -4.13648363 1.88883022 0.98487656
O 8.04561030 3.11769516 12.45476773 -0.87937905 2.66984400 -0.84085878
H 7.21490792 3.61933928 12.67273583 0.16641004 0.06105548 -0.32183221
H 7.96734499 2.37597921 12.99331138 0.37974528 -2.53638831 1.70573681
O 11.29026036 11.46753473 0.18509772 1.64973304 -2.59579108 -2.46767300
H 11.76890115 10.73457138 -0.39673685 -1.12146386 2.74623663 1.86180793
H 10.39288165 11.11700775 0.06506234 -0.30869438 0.14280525 0.71064268
O 1.79328102 2.57893984 7.07578723 0.49137385 3.57753090 0.56087591
H 1.44000232 3.56205585 6.94941971 1.02777285 -3.52613455 0.25202829
H 1.11805090 1.99206115 6.75547626 -1.10562586 -1.01452653 -0.58118763
O 12.16562530 9.92921658 7.66126889 -3.57432217 -2.14395567 1.22239509
H 11.21913895 10.20507666 7.98036275 2.40166250 0.03425790 -0.30938961
H 12.61389132 10.69080842 7.37678323 0.98905204 1.87778991 -0.31214634
O 11.62729333 3.18616540 10.93422994 0.15032933 -1.43841405 -2.06070848
H 11.71624802 2.31658436 11.30788197 0.92227020 -1.61083739 -1.33580646
H 11.43022774 3.50337538 11.76789571 -0.36783439 2.78543567 2.90855552
O 7.61512464 0.07421075 3.74778646 -15.18102831 -2.75571371 -8.28193527
H 8.22145589 0.26192579 4.22016708 12.75025578 3.72501968 9.87113425
H 6.79828670 0.61862933 4.05396310 1.74407196 -1.08106154 -0.98442405
O 6.82299927 12.08762458 11.48552675 -3.52439134 -1.31428118 -1.22900797
H 5.84878403 11.69989644 11.21109545 3.47178142 1.60312922 0.49787308
H 6.57370389 12.49636106 12.29770794 0.07192559 0.41071165 1.09674013
O 3.07292677 7.19141245 7.50076945 1.01166746 0.06055565 2.81114670
H 2.51453368 7.20215475 6.75531751 -1.13453535 0.17715056 -0.96181377
H 2.57424075 7.39609819 8.33729278 0.41623438 -0.63214175 -1.94198007
O 13.06046397 7.15606341 8.09688757 0.54951678 -0.62543117 -0.22696158
H 12.34882645 6.88110293 8.66374220 -0.57749038 0.00408240 0.53774627
H 12.87710406 8.08111809 7.95961900 -0.35231418 0.82171435 -0.21698210
O 1.48170677 10.97254237 11.59691856 0.22726137 -1.61106364 -1.04518437
H 1.84589711 10.46193928 10.79701429 -0.50748901 1.18909416 1.43860432
H 1.16796819 10.24751667 12.17329837 0.58896264 0.46869209 -0.26980901
O 5.66531829 2.07358090 7.93178428 1.71176862 2.31209040 -3.59997149
H 6.12856002 2.01814958 8.75343774 0.84666948 0.10241887 0.85966383
H 6.29710296 2.69506778 7.32439468 -2.68982148 -2.34999875 2.20189291
O 8.93716806 10.16835176 0.48460038 1.67917217 -0.60478007 -0.62279836
H 8.12472229 10.43796755 0.82587629 -2.35732125 2.00045210 1.10864948
H 8.74407130 9.24499045 0.53464890 0.59730330 -1.33067454 -0.44096994
O 9.76824087 4.27985827 4.69231486 1.72203761 3.29134653 -2.24756085
H 10.70440827 4.11764958 4.39906073 -1.11747351 -0.09634438 0.72618243
H 9.66870264 5.21863452 4.22522073 -0.31066385 -3.15295946 1.73442004
O 12.81640744 4.43817751 6.94423377 1.11019214 4.17981701 -2.65461793
H 12.83238859 5.41290076 7.17331459 -0.07396242 -1.48971271 0.09447365
H 12.43090184 3.95788040 7.60263606 -1.14592534 -1.50882115 2.56149771
O 5.05592840 1.83648834 3.44890717 -1.78372866 -0.58393871 -0.38892515
H 4.81124744 1.04227272 2.81932388 0.22185485 2.12438957 1.67419452
H 4.14043595 2.30020633 3.66105961 2.19803625 -1.57616863 -1.19141330
O 8.30189082 9.99822129 10.44421184 1.43148750 -0.76200818 3.98787386
H 8.48117606 10.88120638 10.89776963 -0.98377099 -1.78612493 -0.93124849
H 8.47736599 9.35987482 11.29385877 -0.69216673 1.89502658 -3.18538622
O 7.24951611 1.92630030 10.14893096 1.93084205 2.73544828 -1.86651305
H 6.79183074 1.30650678 10.60815094 -1.90118180 -3.60091766 1.86804542
H 7.48928630 2.51874593 10.86887655 0.17969030 0.28221613 -0.14208946
O 2.67880087 6.98095867 10.93772251 0.28257609 2.81324986 -2.23529668
H 2.39237312 7.72106592 10.24614081 0.99138146 -1.86005443 2.22306337
H 3.66627201 7.11616345 10.97751663 -1.40819845 -0.67086771 0.30546405
O 3.71371274 1.69189067 12.20346148 0.08351355 3.13140848 -1.93545461
H 2.81894287 1.81084970 12.57504971 -0.24919699 0.41426029 0.38047187
H 3.67579719 2.55628047 11.54177829 0.07640805 -3.53321537 2.41958823
O 3.45568064 11.42562389 5.06268599 -2.85792021 1.44085660 -2.38845217
H 4.02635064 11.18955794 5.70918708 2.98582232 -1.81152229 2.68372796
H 2.97458447 12.10656913 5.59128640 0.17023892 -0.04213061 -0.98984908
O 0.56029812 0.81701257 11.44732016 2.62217060 -0.92994751 -3.05495415
H 0.83937031 -0.14507817 11.63475473 -0.47268038 1.65986319 -0.58269429
H 1.21436645 1.07298088 10.61465982 -2.67304760 -0.94132722 3.69908239
O 5.43634331 4.06677448 -0.06231855 0.44561335 3.41478520 1.24709311
H 5.07823851 3.24233756 0.18471460 -1.26776478 -1.44732036 0.59388888
H 4.99742257 4.83012319 0.51914666 1.20508642 -2.18375120 -1.97971873
O 3.23801947 0.15908549 7.01551394 0.13780188 3.73065039 -0.42151440
H 4.03257905 -0.12569970 7.41763571 1.17083419 -0.72597160 0.95398219
H 3.43893218 1.16878841 6.95428814 -1.17622322 -2.37833231 -0.08934790
O 9.89217418 11.17161883 8.54049683 -1.33760109 3.45355230 3.87492529
H 9.18799806 10.52850977 8.90139568 1.15458995 1.42917865 0.02474893
H 9.84624159 12.19065539 9.45904263 0.12037032 -4.89915002 -3.99798858
O 0.75046854 4.36052075 4.12389387 -0.75972504 -1.29375864 1.82074226
H 0.51391256 4.78953530 4.95176516 0.01505278 -0.65870639 0.18957722
H 0.90869252 5.08503844 3.59445737 0.28269436 2.25035821 -2.15949027
O 8.80466209 9.91053662 5.70463616 -2.46739018 -0.54954249 -0.45829043
H 7.79626200 9.81274468 5.47751330 2.57787564 -0.57255901 0.04920835
H 8.77164143 10.78246191 6.05405187 0.73725360 1.11278896 0.64262157
O 11.35556083 4.14489162 0.69214262 -8.62569178 -1.25556747 -2.13359412
H 11.96416754 4.10970663 1.30348518 6.30213427 0.17896319 4.71257533
H 10.55311651 3.81741031 1.29941051 2.27186806 0.86569050 -2.37834773
O 10.99392113 2.40659212 7.91019385 -3.34368905 8.27411911 -4.76838884
H 10.15099475 2.44889983 7.23845630 2.43050513 0.35162872 1.56041291
H 10.73928105 2.95361847 8.65633372 -0.23607048 0.43985151 1.40217178
O 9.31658812 6.23862888 1.00733645 0.30046325 -1.71780557 2.27349814
H 8.86710500 6.24958285 1.90740338 0.35678584 -0.12547961 -1.60978323
H 9.72114410 5.32156478 1.03804989 -0.68055049 2.20501937 -0.57157170
O 11.43260903 1.49219506 0.89396023 -2.35380398 -1.27662480 6.19430219
H 11.95945786 0.76683599 0.70371573 1.44123198 -4.40632093 -0.75674256
H 11.87971086 1.68998034 1.87313915 0.02621446 -0.59789466 -0.78383685
O 0.30885375 10.10908391 2.23109579 2.51992811 -3.86589557 -1.33803304
H -0.21890897 10.76224734 1.91385405 -2.57311395 3.50762260 -0.67948605
H 0.49528023 9.67420608 1.33456376 -0.20405870 -0.05731966 2.00403622
O 5.83306747 4.21599717 5.44152925 0.98663006 0.83696613 -0.55010299
H 5.75734221 3.87727083 4.52793655 -0.01517825 0.08728176 0.90364513
H 6.25789093 5.10675587 5.32939660 -0.93644212 -1.40459376 -0.21851705
O 5.79427878 10.23481642 9.11602996 -1.94018030 -0.09062471 2.63666134
H 5.07025852 10.74388489 9.68447212 2.29323393 -0.82125669 -1.91367222
H 6.26932116 9.69584943 9.79919774 -0.25280065 0.98593072 -1.03653517
O 2.63990106 9.44930577 9.51074324 0.77634980 0.50494979 -3.89944847
H 1.96506253 9.73744276 8.74364796 2.13898315 -0.21699187 2.40005813
H 3.59107063 9.55371243 9.05808506 -3.05351433 -0.15124875 1.45174265
O 4.51706196 12.55832771 1.82517982 0.45631531 0.45783637 -0.89851835
H 4.14213461 12.90276916 1.01259647 0.11502037 0.47147145 -0.26182060
H 3.92626735 11.82711064 2.02058909 -0.84896290 -1.05755137 0.77371185
O 8.72745514 1.19562299 1.67406269 -0.79489260 -1.17344643 0.04712524
H 8.30331960 0.36378181 2.04687862 0.65659295 1.78928739 -0.45919443
H 9.60266132 0.94134805 1.40247836 0.00044120 -0.21411583 -0.12463012
O 1.33150511 11.52214582 8.19679623 -0.54303760 2.54126827 -2.29220549
H 1.73146783 12.01020596 7.35185898 -1.01589950 -1.13568206 2.79742729
H 0.50086358 12.10958544 8.25500572 1.72040753 -1.06243647 -0.27993505
O 11.63999358 11.86113674 4.54797649 -0.90270410 0.57693502 -1.15069216
H 11.98999139 10.96222341 4.77762352 -0.73412200 0.94148662 -0.73014193
H 10.77902226 11.70746368 4.09291055 1.38246684 -0.00926111 0.80762470
O 6.79886879 11.08446335 1.98120243 2.03358848 -0.06677670 2.47624506
H 5.98658178 11.49182396 1.77310879 -2.03338794 0.74142907 -0.83652390
H 7.02869046 11.63242635 2.80794657 0.12209141 -1.12933658 -1.57496535
O 1.54328712 3.03611191 0.60851146 -2.30021704 0.89553587 -0.57872451
H 1.01478726 3.83187272 0.26246978 2.02389028 -1.94896833 0.63167381
H -0.92503351 2.03453291 0.40133011 3.60772080 5.34131294 -3.63870774
O 5.81121245 6.44225627 10.57343692 2.52367164 -4.07151185 -0.70065652
H 5.85926174 6.38738060 9.58239384 -0.30752350 0.25593534 0.82140581
H 6.26566984 5.44454556 10.72356449 -2.23955957 4.07298766 -0.05818253
O 3.06967762 10.37684758 2.58440095 -2.46279819 -0.30999227 3.14846003
H 2.11364490 10.05177402 2.30933993 2.67762930 1.47067626 1.26467432
H 2.98465472 10.62619588 3.70061561 0.26953751 -0.73346894 -4.19029168
O 0.70027079 5.36035347 12.10286489 1.24377125 3.06496088 -2.23379516
H 1.21880624 6.15771769 11.59136220 -1.58118742 -3.50573541 1.82004807
H -0.19822767 5.42867024 11.75985222 0.35363264 0.34214598 0.27219088
O 0.32633776 1.26043132 3.07700143 -0.32836435 -0.78397569 0.65933889
H 0.22016100 0.62603781 3.81529360 -0.80363435 0.15692215 -0.50859201
H 1.22744771 1.59740608 3.28845006 -0.27987591 0.69569429 -0.78812031
O 12.80000294 0.46943257 6.51083764 0.68816095 1.21298485 2.18737132
H 10.96788561 1.57266175 8.09212498 1.15163833 -9.37336864 2.12922324
H 12.13091128 0.16014596 5.94287174 -0.92282556 -0.67388105 -1.09427701
O 0.74230862 8.37809234 12.83630450 3.43302975 -1.60249673 -1.82813161
H 0.11438695 8.44942543 12.11551222 -0.65137361 -0.50821509 0.03310553
H 1.50150329 7.75001191 12.36501928 -2.45769712 2.49238645 1.95498471
O 1.59135229 9.39173129 5.30224981 -4.52430886 -2.64209666 1.53799289
H 2.02787057 9.72225537 6.03574234 2.41450259 1.52805300 1.58908071
H 0.77064606 9.07194950 5.91736540 2.23915334 0.85604886 -3.20598076
O 9.32579581 4.55473408 10.56195377 -0.40436874 -2.91609400 2.12192131
H 8.86366535 3.84604409 11.23797766 0.98636266 2.69417178 -2.00852023
H 10.22867796 4.21693381 10.74489033 -0.65556965 0.52398058 -0.65623299
O 11.34540063 7.38831929 11.93157022 -2.04615089 -0.39404833 -0.76157110
H 10.58354420 7.18649110 11.28814366 1.71791870 0.90860736 1.59589928
H 10.97582327 7.35603948 12.83260026 0.13670248 -0.20223682 -0.82448600
O 4.78490500 9.14656349 6.59772854 -3.43688127 -2.16302297 2.14872763
H 4.70208877 8.50964580 7.39054183 -0.27873691 1.48253933 -2.22021973
H 5.66706458 9.33627352 6.62265278 3.43471640 0.78111148 0.78883508
192
Lattice="11.85695095 0.0 0.0 -5.3e-07 11.85695095 0.0 -5.3e-07 -5.3e-07 11.85695095" Properties=species:S:1:pos:R:3:forces:R:3 energy=-30009.74996924 cutoff=-1.0 nneightol=1.2 pbc="T T T"
O 6.67393005 6.78934360 3.76125931 -0.09707252 -0.58823759 0.08528504
H 6.79579957 6.25249332 2.95822761 0.18446381 0.55027268 -0.05855636
H 6.05722693 6.21052957 4.24309633 0.08189993 0.37559192 -0.19719643
O 1.03850498 0.60961744 9.88111437 -0.05339822 -0.21021341 0.17652579
H 0.10904331 0.84776306 9.79983275 0.05731246 0.36055148 0.14057508
H 1.01607316 -0.33407751 9.76326661 0.42429684 -0.27318179 0.03622222
O 6.34134218 7.14399817 9.42919703 -0.91588358 0.81161505 1.13913248
H 6.19116169 8.15287452 9.36304988 -0.02649316 -2.49843883 0.01656870
H 7.10049980 7.37540736 8.06884118 -2.05915039 -1.56891812 4.02608045
O 6.66091230 3.12634191 8.92949499 -0.25606955 -0.03474692 0.79547367
H 6.69128707 3.64224736 9.75490561 -0.14023260 -0.03796234 -0.10091992
H 5.44708561 1.83268885 9.72347248 -2.19917268 -0.60078972 -0.33932702
O 7.35752117 6.41077023 1.22578609 -0.01882459 -0.11735698 -0.37892921
H 6.92285501 5.76104645 0.64530515 -0.05895231 -0.22524768 0.06456143
H 7.03620477 7.27766833 0.96644692 -0.07936585 -0.16504529 0.01954399
O 1.19573941 0.54946057 0.71611435 0.07719172 0.14338992 -0.11973834
H 0.28709822 0.23085409 0.82485498 -0.08127566 -0.14475003 0.17655304
H 1.29039863 0.66328659 -0.25539362 -0.02300160 -0.04919035 0.14862571
O 5.10484025 0.63900265 7.47796191 0.94637686 1.95884651 -1.28996369
H 6.18930957 -1.10874267 6.39298987 -0.06166586 -0.43074414 -0.37217081
H 4.47447377 0.88471550 6.79601124 -1.07935947 -0.80474506 -0.21509542
O 10.83437420 10.19825027 8.78571755 -1.27107122 2.47061435 -0.44698632
H 10.61069099 9.52518978 8.08466358 -0.19936181 0.08921729 -0.14578207
H 12.23886343 10.09521947 8.86435328 0.03697401 -0.43099663 0.04276156
O 9.01411043 6.70435774 10.89094324 -1.62065900 -1.55332695 1.87695173
H 8.67305572 6.21338713 11.72873660 0.97000016 1.36222198 -1.70300116
H 8.32649756 6.44162126 10.25979358 -0.03815826 0.38081692 -0.07545828
O 2.68596064 6.83040776 7.33111523 0.22934705 -0.48096139 -0.21703146
H 2.45657290 7.51997858 6.30456436 0.40819814 -0.35021976 0.22057650
H 3.04863224 5.90000839 7.28835771 0.35251112 1.06789749 -0.69039781
O 4.20590576 9.06708107 2.45476841 0.94754414 1.15691937 1.38093961
H 5.19587990 9.09618582 2.48675188 -0.11845587 -0.50779034 -0.23557786
H 4.03888155 9.58604516 3.27566514 -0.45852954 -0.74643758 -0.33432828
O 0.51546835 5.13107156 5.66907545 -0.40147213 -0.04823647 0.20958143
H 1.38810061 4.64450900 5.78343065 0.44062489 -0.65841843 -0.22783421
H 0.46119963 5.33288917 4.73351660 0.23403211 0.22730302 -0.16520470
O 1.96700990 2.87077578 8.89663309 -0.22074979 -0.08595867 -1.13125976
H 2.06542098 1.90270958 8.97045331 -0.44018523 1.03097645 -0.09668583
H 6.24995327 5.55001058 8.43138049 -0.34216398 0.74523945 0.34352100
O 9.13137610 2.26766722 9.57900710 -1.92110271 0.40759547 -0.73564923
H 9.69711946 2.69585625 8.92573784 0.90981063 0.25523034 -0.24313227
H 8.17922755 2.55365046 9.34114195 0.71074553 -0.13342998 0.78509669
O 3.29085253 7.27237656 1.09221647 0.08649963 -0.16156711 0.32913928
H 3.26943672 6.41156399 1.55713569 -0.20422171 -0.10043501 -0.33385520
H 3.59512942 7.97411846 1.74886718 -0.15796550 -0.44487390 -0.50511177
O 7.63428086 11.55405520 3.55066266 0.10240499 0.41639070 -0.03722032
H 7.48791044 11.85727374 2.64463190 -0.06197079 -0.00160951 0.07097428
H 7.10155816 12.16790077 4.06040848 -0.09068847 -0.05002699 -0.08999633
O 11.50441838 6.57407432 10.38801322 0.16651494 0.41256439 0.22545491
H 11.70418278 6.34546976 9.46904408 -0.18199144 -0.16102975 0.02507031
H 10.53755870 6.72224393 10.50041046 0.33118434 -0.29243112 -0.19995882
O 6.97138056 4.02169917 -0.26340060 0.08533081 0.22413748 -0.10884766
H 6.45580321 3.40062505 0.29814479 -0.22186616 0.16572458 -0.24631119
H 7.85785823 3.64035291 -0.15634170 -0.02477207 0.17920590 0.05407442
O 9.39564720 9.25197559 0.88511768 -1.99288792 -0.25292509 -1.89865698
H 8.76074038 9.59138985 0.17395642 1.50011025 0.10726180 1.21432697
H 9.17434529 8.33157767 0.66997539 0.93756312 -0.02466048 0.59371404
O 4.56025869 1.25061508 9.84592409 2.45825248 1.49980686 0.97631993
H 3.89342661 2.25454363 10.31943185 -0.01885956 3.08899041 -0.24044341
H 4.31680542 1.06881096 8.92880706 -0.15208950 0.08287746 -0.41871498
O 4.95786657 10.20576459 9.94493314 -0.26795011 -0.18426686 -0.10250321
H 4.95181808 11.15193344 9.77406182 -0.02636718 -0.00039132 0.17019984
H 4.34883123 10.12924557 10.70102154 -0.01146969 0.11751999 -0.05030724
O 7.02900796 10.42780735 5.97430487 0.37074179 -0.18466076 1.37016669
H 7.61359003 11.01466487 6.55163720 0.36006297 -0.25782562 0.28974535
H 7.24649980 9.46385814 6.23682968 -0.45227251 0.49760826 0.20625957
O 8.26527176 9.42295274 10.20433581 -0.18509630 0.13402596 -0.43714413
H 8.53266500 8.69289986 9.63573490 -0.04887822 0.10252686 0.37446732
H 8.08619819 10.15670986 9.61377404 0.04549465 -0.08334283 0.04161279
O 8.29728698 2.36819502 3.15906623 -0.20526404 0.10312541 0.39866449
H 8.74348921 3.15973829 3.48469543 0.05216203 -0.24415403 -0.12895163
H 8.63177990 2.23753058 2.23001097 -0.16182987 0.21750712 0.59082412
O 9.93784217 10.31376966 3.69271499 -0.10294029 2.01804359 -0.76179221
H 10.57724699 10.87125785 3.17936018 -0.49160422 -1.20553380 0.27711660
H 9.20053956 10.98593055 3.77962176 -0.02134736 -1.27398171 -0.34757718
O 7.47224679 7.61835262 7.28851647 3.52943070 2.29659179 -6.24829536
H 9.25107599 8.26278463 7.17299708 -5.33056573 -2.36035001 0.72513856
H 7.63491587 6.76875861 6.68451360 -1.35333624 0.58649439 1.07893267
O 2.81306371 3.81612441 5.69759810 0.32250583 0.22194484 0.31011723
H 3.14981622 3.70837334 6.60370824 -0.46707075 -0.23108048 -0.60154562
H -6.92661217 -9.42337608 -6.62418740 3.08161135 0.20043499 -1.36782698
O 6.47310730 10.20507666 0.56832574 -0.00738884 -0.11817717 -0.67453925
H 6.79394745 9.73638440 1.36027119 0.14629167 -0.12564622 -0.27449099
H 6.54444039 9.62874976 -0.20908056 -0.00483933 0.10472001 0.49044208
O 4.27371452 10.16290124 4.92809506 3.73888306 -3.35266220 2.73184873
H 4.82169340 9.64912308 5.72225776 -2.59077229 1.88590431 -3.24130258
H 3.66085852 10.75187547 5.40427517 -1.73114960 1.47210579 0.46868746
O 1.02823365 6.67620552 3.51853631 -0.18631089 0.31886361 -0.07925837
H 1.42125886 7.13579592 2.77870424 -0.20360207 -0.29145976 -0.39068841
H 1.60890510 6.88216129 4.24735621 0.14812743 0.02543695 0.01776067
O 2.85627633 4.86705447 2.47881422 -0.27172603 -0.27229939 -0.30001022
H 2.26600031 4.66671327 1.74023101 -0.04453562 -0.00704379 0.03907563
H 2.96548792 3.97653390 2.83288669 0.30717897 0.06276423 0.03020686
O 11.01482363 3.26303897 7.80070709 0.11057956 0.23016260 0.17497695
H 11.94368838 3.31524759 8.12297601 -0.04987838 -0.32118686 0.11737601
H 11.07710778 2.89981703 6.91502319 0.12018468 -0.15150689 -0.00290226
O 3.93821617 5.93922042 10.10998351 0.65795563 -0.12038986 -0.28965639
H 3.28768275 6.59947482 10.38282728 -0.46740551 0.06406624 0.17596631
H 4.84943816 6.38044837 10.00097301 -0.12767791 -0.22848624 0.00413331
O 6.11152052 2.14937495 1.36409714 0.10280917 0.26489615 0.25362392
H 5.23196978 1.97959373 1.71569306 0.17080559 0.01460901 -0.04594047
H 6.60677747 2.51993129 2.11051217 -0.30987143 -0.18622399 -0.29240747
O 0.42257869 5.61113055 0.79665512 0.30507375 0.47190442 -0.42050292
H -0.29238417 5.33299500 1.37196071 -0.31454210 0.11233459 0.46468476
H 0.04714704 5.83793590 -0.08066830 0.08316182 0.18475229 0.10653264
O 0.23678563 2.33962474 2.85623928 -0.01360936 -0.30950994 0.29317263
H 0.61734342 1.63049553 2.31895508 0.05521444 0.30279267 0.02086759
H 0.92534573 2.56113832 3.48815625 0.12339702 -0.18797542 -0.06905264
O 9.21191687 2.84737556 0.77333428 0.03422704 0.62952437 0.65462862
H 9.76718252 3.50197307 1.27966691 -0.32386081 -0.39841766 -0.50349711
H 9.74866132 2.40481937 0.13185191 0.43596605 -0.18455997 -0.46502466
O 7.83356899 -0.10851943 8.11715506 0.41303541 0.01065362 0.02529092
H 8.48609741 0.59701773 8.16536310 0.12460338 0.05522576 -0.11946375
H 7.38091081 0.01029408 8.99781177 0.10746801 -0.17495021 -0.23035081
O 0.27029790 6.57878399 7.86516087 -1.27256246 1.97081242 -0.30776776
H 0.24466932 6.04166912 7.05372054 -0.17497335 -0.65873725 -0.59786895
H 1.81472857 6.73362124 7.79440988 -0.53487691 0.23190324 -0.11910071
O 1.96775604 8.07709634 11.01794577 -0.05550292 -0.32483474 -0.10089112
H 1.08846460 7.65015617 10.95915418 0.47847976 -0.18706217 0.30081344
H 2.57268497 7.64777487 12.05179929 -0.76118543 0.48719220 -0.95953063
O 5.39453831 4.60076721 3.48382229 -0.59660911 0.72302512 0.00164911
H 5.54000913 3.81610324 4.00724734 0.07129978 -0.40294023 0.09577977
H 4.47591843 4.80578104 3.69903866 0.25804056 0.03589774 -0.27165558
O 7.12971039 0.31773546 10.62561379 -0.30686273 -0.07852715 -0.03313278
H 7.00810546 -0.28767608 11.37551081 0.42020930 -0.29538429 0.23933064
H 6.21677386 0.59879576 10.53512449 0.05272356 0.29291038 0.16440766
O 1.37525748 9.84978708 9.13619161 0.34682539 -0.99060498 0.65216551
H 2.05269956 9.82761456 8.40539789 -0.20236332 -0.11713484 0.45241700
H 1.55984508 9.11010318 9.94641484 0.42008589 0.55418590 -0.46014522
O 5.60028241 2.22458161 4.46916084 2.03311540 -0.52488046 0.11044689
H 5.61060137 1.50713374 7.44594669 -0.04279602 -1.55973414 0.53484092
H 6.69165749 2.33511615 4.30024218 -4.12966506 0.02985719 1.70695551
O 3.68388831 3.45000786 10.55639741 0.25989381 -0.58589789 0.50175545
H 3.76575203 4.78483621 10.24698749 0.44111546 -1.19903405 0.34015080
H 2.79411917 3.40864208 10.98772975 0.51284204 0.15474031 -0.19297211
O 12.13239298 10.70409077 5.80867240 -0.38744368 -0.28145200 0.10801462
H 10.31181170 11.02249670 8.47561970 1.87490513 -2.12491922 0.58058599
H 11.65814436 10.21370225 5.12033985 0.33022120 0.23071590 0.28296381
O 9.68235541 4.39210734 4.94213943 0.21659077 -0.50013308 -0.29288467
H 10.47373993 4.69763839 5.41242450 -0.20805317 -0.14662488 0.34691743
H 8.89218800 4.52685173 5.46163798 -0.22431283 0.62554945 0.53047004
O 5.11348701 11.82674022 2.59323821 -0.42122952 -0.95868216 1.00118764
H 4.70829602 11.40181092 1.83536648 0.05610610 0.32691168 -0.51348071
H 4.89308999 11.21114837 3.32037003 0.27861916 1.03645804 -0.40245686
O 6.96354874 9.09978422 2.91496737 -0.50908361 -0.16236261 -0.20410498
H 7.16585319 9.94779070 3.33314966 0.21129019 -0.24662280 0.39149471
H 7.08891082 8.26431924 3.44490659 -0.31506558 0.55124970 -0.19800170
O 10.30440322 0.41342816 10.63889614 -0.45705836 -0.25107904 -0.22184457
H 9.59742247 0.95372021 10.18300997 0.41290069 0.07509782 0.25398439
H 10.16660548 -0.51281452 10.43325787 -0.05105594 -0.17316690 0.06715259
O 2.46808780 -0.08463396 5.75115084 -0.87197427 0.67328455 -0.54441571
H 2.36687207 0.66729246 5.11116921 0.77863808 -0.80629801 0.64768664
H 1.39374694 -0.47881541 5.73146544 1.01965845 -0.50171174 0.02484817
O 3.08369023 1.91042498 3.90160240 -1.14181157 0.85125118 0.21920199
H 4.00389765 1.67754467 3.79227968 0.12062537 -0.00578293 -0.27130694
H 2.99926530 2.66126923 4.59464463 0.23361714 -0.33539889 0.02378785
O 3.62641967 9.30113615 7.75456284 0.21872736 0.07989961 0.15662133
H 4.20644023 9.65261565 8.46434823 -0.18671764 0.02750309 0.11505739
H 3.50580960 8.37317099 8.00671578 0.21290176 0.00872787 -0.28932060
O 10.06547971 8.60034677 7.09986479 4.99416257 1.38031226 -0.38449719
H 11.55114473 7.37620113 7.63660924 0.92154000 -1.45569701 0.56927313
H 10.40251268 8.32263457 6.23566549 0.15386562 0.33069737 -1.44504236
O 2.37931832 8.27305067 5.34347271 -0.17235751 0.05274978 0.59077784
H 3.28352342 8.60823151 5.14464496 -0.74603135 0.31707824 0.12475096
H 1.78901585 9.06861568 5.48756767 0.24111447 -0.37895904 0.03212234
O 10.56523467 4.44702535 2.43779240 -2.00324432 2.35117631 -1.20421739
H 10.21375517 4.64128101 3.30115031 -0.97394423 0.97556403 0.68873174
H 11.09732235 3.75316290 2.68190185 2.79858943 -3.27865557 0.30108032
O 1.66305051 3.47559358 0.32366701 0.47569834 -0.58589275 -0.07108175
H 1.04268548 4.21853722 0.37953860 -0.42462286 0.29330736 0.02574086
H 1.20513230 2.65139478 0.45725674 -0.11317174 -0.24076994 0.15467706
O 10.50930064 11.72852493 1.29702922 0.01392664 -0.29066992 0.15570705
H 10.41256704 10.77632346 1.13849302 -0.20322104 0.02768873 0.05285829
H 10.28498242 12.10688663 0.42183150 -0.06848339 -0.01111899 0.11997745
O 10.63355145 8.11567336 4.37212561 -0.93698719 0.55608852 -1.06181940
H 9.83999730 9.00114559 3.38792479 2.53668656 -0.41941586 2.77754752
H 11.39408493 7.57575386 4.06122342 -1.07949831 0.54323814 -0.29225063
O 7.02959006 5.49730453 6.05029471 1.44754147 -0.52913821 0.35042030
H 6.88507176 3.85816225 7.12976330 1.23638704 -1.19285826 -1.76628115
H 7.34979519 5.72246943 5.17250085 0.02664640 -0.25493415 0.04722603
O 3.30118736 10.71202843 0.40920956 1.55365605 -2.24883611 2.07460787
H 3.61314261 10.05955293 1.14461560 -0.48284961 1.32747094 -2.10403672
H 2.50946946 11.03953620 0.82750615 -0.85963812 0.86204467 -0.35031283
O 10.42764859 1.16957159 5.87339077 -1.92598267 -0.45420238 -4.53234099
H 10.17269101 0.99394297 4.84071732 0.73344323 1.34538125 3.69738546
H 11.06747676 0.43705328 5.88926609 0.78809974 -0.87799580 0.88930351
O 4.89329108 5.27669055 7.07356468 -0.92005391 -0.12613113 3.82496361
H 5.60663254 5.74046146 6.55486518 0.71712700 -0.46737465 -0.09487577
H 5.13806729 5.38088554 8.19399159 -0.28790907 -0.16244642 -3.38626652
O 7.37768283 2.70850888 6.83040776 2.89275352 -0.23527035 -5.05141590
H 7.60798075 2.72917325 7.72826273 0.52695277 -0.59797693 3.41587021
H 8.55446711 2.28136762 6.23894639 -3.75428397 2.07056609 1.84758458
192
Lattice="12.50280115 0.0 0.0 -5.3e-07 12.50280115 0.0 -5.3e-07 -5.3e-07 12.50280115" Properties=species:S:1:pos:R:3:forces:R:3 energy=-29996.68714339 cutoff=-1.0 nneightol=1.2 pbc="T T T"
O 12.15128460 10.70393202 5.71252090 -3.64671929 0.24913580 -2.84711129
H 11.53796822 9.93493169 5.52630344 1.38786102 0.99253845 0.75955021
H 12.80746434 10.38277437 6.25487462 1.99132983 -0.98750937 1.64843206
O 7.04625914 3.47764679 6.19354298 -0.58700346 -3.45706957 0.92408026
H 7.33619533 3.61901648 7.09833018 0.60479036 -0.00680160 0.89987075
H 7.12087313 4.28358368 5.77570466 0.74306429 3.29891586 -1.67642109
O 5.27867496 3.10625964 11.52733175 -1.69309212 2.67288305 3.54767011
H 5.14938110 3.30195466 10.58772470 0.19780578 0.70599927 0.37392225
H 4.85331703 3.90871454 12.13302799 1.47295940 -2.93451852 -3.26999095
O 5.79544297 9.06808651 10.73483596 -1.04704070 -2.29878751 -7.19219882
H 5.89868544 9.30764503 11.55484897 1.38350043 2.39378978 6.38821481
H 6.62958500 9.08523185 10.21973487 -0.54020938 -0.28503612 0.86989168
O 0.97766548 8.66421846 9.66690344 1.90580465 2.56269070 5.99987536
H 2.00852385 8.64051132 9.92154351 -1.27741670 0.01801315 0.50835753
H 0.93205040 8.37893903 8.84588500 -0.20686995 -2.92718574 -5.96495977
O 1.23125778 11.06885262 8.43381470 -0.31058517 -2.28684216 2.20886574
H 1.72186326 10.76240610 7.68111304 0.45557432 0.28070278 -0.29728023
H 1.18073723 10.18639670 9.03787049 0.03266998 2.38508402 -1.38040482
O 5.12970100 7.20861071 1.95884469 -4.98719488 -1.01855288 -7.21796128
H 5.07239640 6.60873542 2.59849294 -0.28328108 -4.76166284 3.97395390
H 5.61171264 7.83229897 2.26471971 5.49717323 6.72297246 3.10933298
O 12.31876919 11.98581089 0.62944571 0.14914662 -1.82944802 0.17020447
H 12.55499390 11.01508821 0.55640338 -0.25471304 1.44794256 -0.69430075
H 12.02586960 11.98210665 1.56233750 0.18771008 0.70109875 -0.04916104
O 6.72436064 6.44056291 -0.40711137 8.69850543 -10.64040837 -2.94805281
H 7.02413953 5.48756767 0.67388601 -0.27286091 2.92472262 -4.01481902
H 6.22010768 6.88623595 0.05135982 -8.14726087 7.52860199 7.16556219
O 0.42327668 1.18497594 6.18650493 -4.86700094 -2.56464474 -1.68451492
H 0.54603150 1.84161607 6.79871004 0.98891834 2.61723923 1.94302908
H -0.68591421 1.14149874 6.24291522 4.53184733 -0.06974066 0.06305888
O 11.28650321 3.53299343 3.11799150 1.50229569 -1.67568061 -0.42841215
H 11.84997110 2.72299246 2.90308734 -1.08688252 1.88626426 0.71394398
H 10.54591970 3.51779546 2.52946706 -0.52292128 -0.04603355 -0.37219652
O 1.75841883 5.02282307 0.34850553 -0.74790825 2.14546233 3.93859609
H 1.42257122 4.84607259 -0.48375952 -1.87084793 -0.25734945 -2.21910902
H 1.00274319 5.46650641 0.95284178 2.17024777 -1.66565845 -1.91557484
O 0.98969897 2.56006409 9.85656055 -3.56748303 0.55275637 -2.10738943
H 1.06476276 1.72591676 10.33160293 0.55725066 0.48333143 0.04756593
H 0.01256796 2.45134992 9.15524199 1.73282081 0.64521324 2.64553165
O 5.81481085 7.95088758 6.84400761 1.50722192 -1.24817297 -1.67206050
H 5.88349806 7.31307029 6.02002578 0.63131386 1.60524781 2.79801865
H 6.75637586 8.04222357 7.19659839 -1.93809771 -0.40365860 -0.92084581
O 9.03130869 1.33162682 9.82195236 -0.80044104 -1.78604265 0.38613910
H 9.74659752 0.69496843 9.55085487 -1.06887451 0.77367071 0.06307791
H 8.11572628 0.77282098 9.97001614 1.36911253 0.59639313 0.68301875
O 10.02743187 8.99955806 0.88078372 4.22635398 3.70629176 -1.86598340
H 10.99228068 8.77809739 0.51019721 -2.87713664 0.63493397 0.89973191
H 9.59768706 8.21706372 0.98381981 -1.64939365 -4.19126870 0.83822083
O 1.27918536 2.05968470 3.36998569 2.74337242 0.41401654 0.54966590
H 1.80833611 2.73011519 2.80363378 -1.02484180 -1.85091159 1.27025361
H 1.96688819 1.67639636 4.06160442 -1.70616876 1.26587245 -1.90066758
O 3.15686486 8.82582918 10.96095339 -3.83317057 -0.65846471 3.35321242
H 4.05090975 8.70454176 10.81109040 3.21332897 0.55425789 -0.64146457
H 2.87299303 8.63368493 12.59542303 0.21245336 -0.02902056 -0.93913149
O 5.89884420 5.24609882 9.84825247 -1.34649711 1.54463662 1.68235006
H 5.82714068 5.77342920 10.73462429 1.07226323 -1.32247272 -1.87316192
H 5.17593521 5.65838607 9.35151382 0.77722397 -0.33781778 -0.30010741
O 7.39731530 9.87857432 3.10477265 0.09222136 0.41361237 -1.81076638
H 7.52754581 10.01192698 4.02120174 -0.50036448 0.05078495 1.96269802
H 8.17134281 10.37208499 2.81720188 0.41861111 -0.00966889 0.18774197
O 1.93321664 6.95338854 7.42133995 -0.79029032 -0.42649719 -2.42385112
H 1.72617606 6.12427369 6.93820115 0.20863989 0.35154799 1.01624917
H 1.92343745 7.54283903 6.62180610 0.44459982 -0.02747892 1.64974332
O 0.22282541 5.30521320 10.06357467 3.01832107 -2.71587704 0.04035244
H 0.73622309 4.39562108 9.91572256 -2.27167265 2.46285476 0.27575443
H 1.02936080 5.84280433 10.16004368 -0.73917164 0.54114012 -0.37814348
O 7.00037948 5.96991269 5.18972557 0.80046675 1.02431729 -0.50065090
H 7.63025911 6.53793151 4.51462245 -0.93326938 -0.69237756 0.90706984
H 6.16655495 5.66283116 4.81640163 0.49486798 0.29619882 -0.85552950
O 4.56281462 0.44218365 11.62676415 -1.69458851 2.30035588 1.20032474
H 3.73791202 0.26596711 11.14796461 0.50336136 -0.02442754 0.36813829
H 4.43341491 1.39045016 11.99978117 0.56002231 -2.48145412 -1.29432428
O 9.54424016 5.91487826 9.18058958 1.42536313 1.96202439 -2.70674962
H 9.64711221 5.06388723 9.54503393 0.58363532 -1.15016251 0.34715346
H 9.99631625 5.96488551 8.26035041 -1.72506122 -0.55986290 2.45114081
O 5.89492828 11.65655683 7.88521669 -3.03696671 2.25302187 3.82951960
H 4.42850415 12.25944842 8.15763712 5.08179091 -2.10237064 -0.71255558
H 6.37081735 11.71222627 8.85763273 -1.95710330 0.27804837 -2.12284177
O 10.60264750 5.22492643 11.94733971 -0.73400373 0.07197495 1.11996233
H 11.40562100 5.26861531 11.37905630 -0.83955266 1.08921194 0.94937991
H 10.78600740 1.94334509 12.09783770 3.48755257 2.90594842 0.03444713
O 2.72097100 8.30877013 1.31274578 1.41810748 0.41435387 -0.02553980
H 1.93202599 8.32364001 1.92881389 1.36732305 0.11657331 -0.53171960
H 3.62467868 8.24167046 1.82066594 -1.90572751 -0.55016984 -1.21687750
O 8.25712243 1.80992364 2.47632180 -0.27865310 -2.27461914 -1.20269016
H 8.26754722 0.89197581 2.03881925 0.23024385 2.28050696 1.18674932
H 7.89707026 1.62799252 3.39129036 0.68530703 0.10594077 -0.60992228
O 8.07254542 7.97607642 9.97668378 0.38920283 -1.65634592 1.99203945
H 8.90531160 7.79779661 9.51121950 -0.65533311 -0.34471143 0.26219032
H 7.97020255 7.16050850 10.62227997 0.18221461 2.49471587 -2.12278520
O 1.71928088 12.97288514 10.89004364 -1.30838307 -1.04278810 0.88228440
H 1.37429438 12.91065390 9.99308827 0.81980145 -1.29857688 -0.42591715
H 1.04659610 12.49292141 11.42012045 0.99674478 0.03406609 -0.24182410
O 3.87991672 1.18884952 4.55760751 0.33067474 2.32828321 -2.30556494
H 4.04130519 1.51782312 3.57005700 0.09686169 -0.88936522 3.13066800
H 4.25560608 1.92703585 5.14629599 -0.58233434 -1.27105579 -0.86676522
O 10.19481062 0.65081388 6.32218596 2.16399485 -0.22295477 -0.23898303
H 9.28997051 0.63613980 6.12908920 -2.62118844 0.26415413 0.23293579
H 10.47045903 0.73624425 5.41157782 0.21960308 0.10963030 -0.39304354
O 4.47722550 3.19714582 6.39134942 -1.84999114 -0.63726339 -0.50161198
H 5.33315376 3.55255711 6.61217507 0.75199631 -0.03665982 0.23860559
H 3.87842973 3.16193967 7.15119498 0.72825474 0.42232327 0.21864406
O 9.79464682 6.14062526 6.41992499 3.62697836 -2.19042065 0.38268045
H 9.32404952 6.27006201 5.62499499 -1.18183851 0.46371906 -1.26752310
H 10.50051630 5.42433099 6.17518053 -1.98639331 1.44643590 0.74759458
O 7.83637363 1.13984771 4.92611065 -0.37984298 2.96320175 1.59143070
H 7.39096517 0.37526496 5.20573847 -1.31959823 -1.79155510 0.40005648
H 7.42123411 1.89687275 5.52408090 1.05960311 -1.13350691 -1.44709410
O 5.32336398 2.11509485 2.34116465 0.93511543 -1.91682954 3.26777466
H 5.95763578 1.38124248 2.21773406 -0.67151049 1.23963691 -0.54105270
H 5.07829672 2.56924002 1.59142637 -0.61686940 0.67031750 -2.66172960
O 2.81461420 4.12184067 8.60166971 0.49893443 1.16700324 4.04886557
H 2.25027317 3.43976828 9.08464975 1.07458236 0.99172084 -0.80933191
H 3.22040316 4.92469774 9.64182044 -1.36569297 -1.34289242 -3.09656488
O 11.29200665 8.60399809 7.34651429 0.70567017 -0.83038411 0.90539862
H 11.72270398 8.90430616 8.14583646 -0.11226311 0.50658192 0.19439238
H 11.58284244 7.67492167 7.35254691 -0.63449174 0.47534456 -0.30692186
O 7.63697966 4.05461928 0.95735566 -7.13779428 3.81069398 -2.68187677
H 6.80744146 3.71939081 0.38914898 3.05804461 0.55442244 1.41649283
H 8.18478391 3.36826057 1.05114173 3.21654285 -4.45618490 0.97261240
O 8.73740367 7.48187782 3.80943561 -2.22512540 -0.24909158 -1.37383822
H 8.03063459 8.02020979 3.33670573 1.79489239 -0.96409691 1.16190217
H 8.79661860 6.28276226 2.36199306 3.18770021 1.45646320 -1.82681007
O 11.09610525 2.70511686 8.79529565 -1.97559468 1.82762768 -3.80608142
H 11.11261557 3.04964826 7.78599596 -0.18380201 -1.07950345 3.28795268
H 10.06246340 2.69375013 8.99257292 2.92482546 -0.46420911 -0.20487786
O 7.98390824 3.66800771 8.66855771 -0.08763503 -1.50771557 3.19802062
H 7.66052805 4.33165414 9.34585162 0.17294218 -0.80630315 -1.55526042
H 8.11223371 2.80876680 9.23572985 -0.37021111 1.98401247 -1.75003692
O 7.51103548 10.31535719 0.28961710 8.26414323 0.78037100 2.11893369
H 7.66047513 10.50591390 1.37432084 -1.29696223 -0.89874974 -3.86767992
H 8.41185385 9.60663015 0.09950384 -2.97175324 1.05340161 0.91763193
O 5.59409104 10.62751883 5.54519507 -0.13883804 0.18432446 -2.87847361
H 5.66463036 10.83283958 6.44929433 0.18708788 0.75042793 2.23243762
H 5.93022440 9.74882007 5.50153795 0.08404320 -1.00201040 0.18258896
O 6.90586843 12.32813563 10.74425532 15.06815687 -3.74676607 -7.29473442
H 8.57166537 11.05943326 12.42423421 -4.50501530 -0.87503903 0.33777510
H 6.20232733 12.51345348 11.07890699 -12.87865668 3.53637268 6.06662120
O 11.79546585 12.44757092 3.25116423 -4.89985964 -5.82899983 2.05970061
H 11.63200301 12.00941219 4.18561181 1.02512976 0.53270690 -2.37602860
H 12.38867350 13.05220880 3.45489746 4.77079539 4.99210569 1.22150549
O 9.46698029 6.14776915 1.43384269 -4.88946724 -2.11196600 3.55637586
H 10.25090341 5.88672604 0.21510313 2.21195107 -1.68288484 -2.71603130
H 8.90451783 5.31791345 1.22298145 1.72572457 1.87686945 -0.48317408
O 3.18871603 6.13766187 10.54777182 1.23483923 0.78263872 1.85309189
H 2.98526856 5.88328639 11.49478736 0.22880814 0.37232250 -1.24205375
H 3.76467251 7.02847879 10.68572832 -2.25528958 -2.15428122 -0.79954629
O 2.45549867 11.70397111 5.91355532 -0.98112275 0.37878214 0.68899913
H 2.96668915 11.81837922 5.13590295 1.20355405 0.22053793 -0.86339193
H 1.90499033 12.51398266 5.93403448 -0.12362893 -0.67670926 0.41967143
O 12.48249662 6.00208667 2.47631650 2.36317308 -13.68022386 -3.66268070
H 12.29993048 6.73928344 2.72340522 -2.75711239 14.80261332 4.22048158
H 11.85150571 5.54239043 3.05429444 0.40136003 -0.94100326 -1.03963078
O 0.40098774 8.93097669 12.41608488 -1.50213628 0.93390187 -0.29283170
H 0.38250887 8.75984078 11.46912226 -0.30132560 0.66412628 -1.00544539
H 0.90657581 8.18499558 12.62579781 0.96495566 -1.59769905 1.02958291
O 1.65637229 4.02691686 6.21005331 4.07887549 -1.01633144 0.89368467
H 2.50734216 3.57239068 5.73104210 -3.23914799 1.99279022 1.69944275
H 2.04050732 4.24739325 7.18559150 -0.67285260 -0.70775790 -2.08520595
O 3.04627211 9.10237719 6.34409390 -3.20376447 3.66521067 -1.19371701
H 3.88115499 8.86916879 6.65059334 2.50419810 -0.33186516 0.99922332
H 2.93110727 10.16422418 6.34552268 0.81328627 -3.37766876 -0.30344727
O 11.58009072 3.76963619 5.76908994 1.19269371 -0.14641045 3.91212915
H 12.55414721 3.93125220 5.88556185 -0.44936459 -0.46571526 0.31717234
H 11.46922810 4.07203451 4.92648636 -1.06356261 0.51211288 -3.70796812
O 11.40392763 8.08238812 4.70185064 7.13949120 6.12920185 -3.92663017
H 11.18728248 7.42202788 5.16978617 -1.88360574 -7.84690458 6.00815431
H 10.60809802 8.28416339 4.39433518 -5.78878777 1.63694437 -2.78989910
O 2.41428635 4.87059467 3.55645715 -2.64520255 4.14463917 -0.49477953
H 2.20488035 5.99176771 3.41955901 0.49701947 -5.25878053 0.58514713
H 1.46731315 4.49693206 3.62451992 2.41339187 1.17746249 0.01193455
O 8.63664833 9.86920788 7.24560019 1.33198066 0.05130894 1.48106352
H 9.53143407 9.65854244 7.65285498 -1.75926718 0.11319951 -1.11794145
H 8.13318913 10.23068884 7.99517971 0.19806135 -0.20475959 -0.61529074
O 11.34772901 12.28246763 8.93256422 -1.83596320 0.21496172 0.71948728
H 11.30153184 11.87611245 8.08164727 -0.56347273 -0.24972921 -1.09500721
H 12.26288808 12.23955136 9.04919488 2.05901155 -0.26640385 0.28235548
O 1.56163370 7.89278392 3.92295470 2.17084426 0.83394766 0.62288064
H 1.04236268 8.70729348 4.10270033 0.52970385 -0.99045072 0.38169829
H 2.42404438 7.95136384 4.47296033 -2.28321691 0.59021734 -1.02797340
O 5.28680842 5.04171470 3.26265796 -2.27804899 -4.41885248 2.24212039
H 5.84338642 4.14804023 3.20621063 -2.00148569 2.76607526 0.15617036
H 4.32482775 4.74359743 3.77083742 3.55990342 0.87323412 -2.34564844
O 9.55921587 11.83383119 2.10691906 0.15353806 -1.54745969 0.12741720
H 9.85666638 10.92777398 1.91930987 -0.09215863 0.11046643 -0.41931867
H 10.23439308 12.05915485 2.77784697 -0.50235554 0.86131448 -0.40631403
O 12.00756007 2.21537922 12.46921427 -5.06309899 -4.84555794 -1.93173680
H 11.69492218 1.10431346 12.41730199 3.21065502 1.84239610 1.07054573
H 12.68781738 2.35316638 11.69301714 -1.89512428 0.03217890 0.29916587
O 2.77161856 2.58442212 1.11504517 1.00167101 0.18573548 1.47000263
H 2.36797276 1.74685630 1.10581632 -0.41803158 -1.84066317 0.28543875
H 2.57767511 2.90589198 0.27488692 -0.38981372 1.35775340 -1.83988670
192
Lattice="13.09801438 0.0 0.0 -5.3e-07 13.09801438 0.0 -5.3e-07 -5.3e-07 13.09801438" Properties=species:S:1:pos:R:3:forces:R:3 energy=-29987.7386791 cutoff=-1.0 nneightol=1.2 pbc="T T T"
O 1.97688964 5.58985762 3.10078795 5.26309998 3.32526453 -3.73979838
H 2.72565951 6.59624684 3.02150662 -1.85170349 -2.25123752 0.25922687
H 1.35926046 5.92503847 3.67220408 -2.45480720 0.74212841 3.25168983
O 11.49177105 0.65853987 9.01548629 -1.38889975 2.76868750 5.58479643
H 11.37514039 0.55037605 8.12117681 -0.88326656 0.14891419 -3.20585220
H 10.88718608 1.46490540 9.39797558 2.33242268 -2.95433659 -2.19056463
O 5.19454637 10.34673740 4.41756606 -0.34372207 -1.05986022 4.06342830
H 4.65618794 10.26513827 5.44930816 3.17470586 0.19482021 -4.48966067
H 6.09040635 9.84264319 4.44445355 -2.71570220 1.16592852 0.38603883
O 8.83270848 10.75409801 6.06008449 -3.53145673 9.67516475 1.11979264
H 8.97050623 9.94424521 5.95493698 1.04262869 -11.21546135 -1.77961489
H 9.67875701 11.04239376 6.27392500 2.37795178 1.58774888 0.80794352
O 5.14399936 7.90003365 0.40888729 -2.00102803 -3.07115724 8.29427656
H 5.01194848 7.95797855 12.64394858 -0.69652732 0.24641506 -6.98615060
H 5.51111605 6.88644762 0.63849464 -1.38533620 2.84014360 -1.31311390
O 12.46746799 4.77224708 10.19608065 7.17882909 -0.09360102 -0.94253563
H 0.54182984 5.25715333 10.13115060 -5.54658983 -2.01999763 0.41018920
H 11.97512151 5.53043102 10.37404294 -1.33493743 2.34070164 0.41913510
O 3.99751577 1.95868065 10.57624155 -2.88451056 1.62807406 -2.22978938
H 3.29425513 2.44993173 11.08298165 1.08314928 -1.21242435 -1.01308671
H 3.53928535 1.67407856 9.70574504 1.04531806 1.08571010 2.17216067
O 1.66164290 8.45900354 7.10171691 3.30549274 -1.07429954 0.61282763
H 2.56547228 7.98068026 7.14135228 -2.16243161 1.54703289 -0.00620459
H 1.19924256 7.78705432 6.62656869 -1.09217385 -0.57093921 -0.70059995
O 6.79532331 10.42801902 0.07004242 -1.61079111 -0.09475287 1.35859158
H 4.71138641 10.47606831 14.31932363 1.71586696 -0.18480474 -0.92391570
H 6.81114571 9.46666278 -0.03399170 -0.20409933 0.20869183 0.14149604
O 0.97583453 10.66069824 2.18005135 0.87665882 -3.22511491 -0.72274744
H 0.98313188 10.97894541 3.08489676 0.23505798 0.11098219 0.06037979
H 1.38734918 9.69754280 2.19993254 -0.78983266 3.15888843 0.51381752
O 11.46441258 9.01622714 5.13807787 13.77211509 4.04244810 2.85170329
H 12.08063944 8.95669470 6.23391920 -3.22472924 0.26586237 -4.14148185
H 10.69620603 8.72930726 5.23107547 -10.60425866 -4.31734018 1.87125416
O 4.39973808 0.07637350 3.51817118 -1.20757525 3.24892847 2.68590311
H 4.82926593 12.48233786 3.91115934 1.35979486 -3.62045804 0.88082401
H 4.40848008 0.05150852 2.60651527 0.36062244 -0.39970116 -3.37512336
O 12.02465250 10.21169137 12.53202760 2.96303206 -1.00869012 1.21297457
H 12.19912222 9.20678385 12.52678875 -0.18669347 2.29600558 -0.44284427
H 12.90493878 10.62217414 12.90620881 -2.77310980 -1.15382377 -0.99849827
O 10.92089467 3.69335000 5.67315012 -4.53920069 -0.43756939 -0.84295680
H 10.11257648 3.42113066 6.27651797 2.65384146 0.76450730 -1.56873814
H 10.40780445 3.79810063 4.77790399 1.74238018 -0.16114647 2.44099524
O 2.15076669 10.52655181 10.69890483 -0.13542464 -1.62831575 0.38708475
H 2.77816448 9.85703681 10.42193348 0.08332277 -0.10527228 0.13381616
H 2.06768057 11.13822775 10.00060259 -0.03497575 0.73834375 -0.83433332
O 5.03723257 5.61525813 3.53748615 -10.97074373 8.96096366 3.39642238
H 5.66579455 5.11503220 3.47563062 10.95480289 -9.11409858 -1.71988816
H 4.97226548 5.71664848 4.54004941 -0.41473594 -0.01689472 -1.52021114
O 11.14383703 1.68379955 0.50830011 -11.44938033 -3.15437871 -4.69494270
H 10.53480698 1.13395268 1.11536797 1.55026733 1.28813306 -1.39692673
H 11.84192761 1.81062216 0.93214566 9.69321390 1.83173630 6.23492562
O 8.42905211 0.72457589 11.27179208 6.00023531 0.21487533 2.94669013
H 9.13153485 0.02717854 11.18754707 -2.41263082 0.87647885 -0.73221938
H 7.60279481 0.82588687 10.95354491 -3.64501208 -1.37820396 -2.33919497
O 11.97771448 1.21381081 4.79749413 8.48921762 -0.15302590 -0.77471458
H 11.73476922 1.71361339 5.48608597 -0.94675739 3.14775041 3.83392647
H 11.25787472 0.90069136 4.47282274 -7.29113488 -3.25423523 -3.71813426
O 6.01229979 5.22385750 12.84847558 4.86828649 -1.63656899 0.87198456
H 7.14304565 4.98973362 0.63041939 -4.09223494 0.43517158 -1.62142005
H 6.34372348 4.72932552 11.99845822 -1.05161212 1.50519075 2.25084672
O 2.63602219 5.05880183 10.56883307 -1.47821988 -2.07253041 -1.18211619
H 2.17701387 4.49330190 11.22083231 0.52850058 0.66915536 0.06388215
H 2.44325880 4.51536330 9.74336954 0.79832759 1.26701402 1.19820615
O 3.63173790 7.77795247 10.77473593 -2.31299028 -2.96408107 4.80689883
H 4.19647582 7.58930079 10.06108754 1.34896537 -0.69800828 -1.67731583
H 3.40378423 6.81855419 11.25115417 0.78846484 3.66426450 -2.55120815
O 12.11667641 9.01961387 8.12900863 0.97266897 -0.80685851 -0.16999930
H 11.62565288 9.78141739 8.46392489 0.50087973 -0.09707149 0.45172229
H -0.14653764 8.81275850 8.62976902 -1.57789127 0.86555680 -0.71250416
O 10.71467431 4.29362217 12.20684821 -0.97075607 -0.12890021 1.77230268
H 11.41191820 4.00196615 11.66131942 1.34317524 0.27597195 -1.95386885
H 10.80347025 3.55928296 12.82508594 -0.83389109 -0.29307287 0.64577889
O 8.73920287 7.56363570 5.63732482 11.23644155 3.64078519 -5.82344624
H 8.00317029 7.58940663 5.23652071 -8.39537235 0.68569269 -5.92078822
H 8.47905935 7.29994669 6.37092318 -2.78885009 -4.24510760 11.32740718
O 3.05053728 8.69729203 2.98408850 -2.33771401 -2.20390865 -2.14569373
H 3.81674354 8.06042726 0.79996777 3.58577386 -0.11847439 0.63275368
H 3.93761820 8.92441489 3.09009857 2.36811988 0.58148588 0.66757156
O 4.92813740 7.93141386 8.55674257 0.60565425 -4.62379513 1.02900184
H 4.33138426 8.58547689 8.35089263 -0.22779924 3.10534263 -1.13151173
H 5.87725377 7.91479769 8.51012206 0.42875102 1.37018726 -0.59558066
O 3.90687830 0.84955697 1.01890955 0.37066260 0.06881507 0.00237981
H 3.08211328 0.85765867 0.56470088 -0.72768910 -1.06353176 -1.19063168
H 3.71732173 1.58980709 1.56327944 0.18048837 1.31251226 1.35928063
O 0.08002959 2.77364001 1.90031240 3.96101611 -1.07449494 -0.86395757
H 0.66854132 2.23598538 2.55931795 -1.38730566 1.81398540 -0.89988103
H 0.81571079 2.94034142 1.19358036 -2.09521269 -0.07367188 2.02519126
O 7.23681585 11.93850245 8.41682811 -0.42281486 0.12866264 2.12034265
H 7.29343781 11.77244664 9.45729634 0.44186159 -0.36500309 -3.32029201
H 7.81298400 11.41588703 7.83489194 0.22604061 0.17696596 1.00667952
O 1.24869417 1.27277173 10.63810237 2.60813752 -0.92277928 5.56515320
H 0.85757400 1.16494129 11.58464165 1.12280598 0.06056800 -2.76250657
H 0.53906224 1.41243747 10.11876786 -4.01943672 0.70850867 -2.91881422
O 1.46440268 12.79629870 4.08202008 1.82114850 -2.85216608 0.61186089
H 2.29291956 -0.12933038 3.59772239 -1.37422903 0.94870628 0.37366719
H 0.68292965 0.20737502 4.05477804 -0.56028970 1.80348502 -0.49950882
O 5.25838102 0.10191583 11.39540788 -0.22872793 -1.17166722 -1.34892937
H 4.56431748 0.56278525 10.80526945 2.10106966 -0.59723645 2.24938633
H 5.75046291 0.75395052 11.88632557 -0.61669457 0.36776857 0.07329547
O 12.78269885 5.94022585 1.06373086 11.88723923 7.90619422 8.65407677
H -0.08813764 5.53270648 2.04816452 -0.58755368 1.66091734 -4.25729978
H 12.19875180 5.43851294 0.85229281 -11.43806747 -9.73270604 -4.78883940
O 10.61704112 10.91338035 10.09606615 -1.95000191 1.59726710 -3.18048570
H 11.26623572 10.64339414 10.66800088 2.43469089 -1.07712261 2.81054506
H 11.02122667 11.66147818 9.60551888 -0.64774321 -0.14691644 0.47988358
O 6.79373578 7.95665561 3.31638533 1.82490745 -1.28833875 -1.47333992
H 6.70605111 6.98339289 3.10292053 -0.40022772 1.91162563 0.61208715
H 7.59612718 8.22680058 2.77171910 -1.29714735 -0.27540528 0.87449396
O 10.97201319 9.93789509 2.50889265 2.51636456 -0.32214382 -0.32633009
H 11.67693015 9.60747684 1.79583166 -1.91653129 1.88755496 3.05624484
H 11.40694394 10.17390812 3.40200620 -0.34995956 -1.19665321 -2.54074376
O 7.05747770 4.27373040 7.24427725 -2.45135164 3.37008914 5.08109672
H 7.53257300 3.82462299 6.64752411 1.85057220 -2.74119212 -3.58217946
H 6.13670935 3.99810845 7.37281440 0.96092417 0.01444189 -0.91928772
O 4.76291769 5.44782646 6.44040415 -3.24598713 3.91657716 4.70965456
H 3.74883953 5.27279581 6.82966691 3.74138732 0.17918328 -1.73118559
H 5.01139814 6.36674268 7.13039832 -0.96186005 -4.03516673 -3.08912925
O 7.63443961 10.38885990 10.73615891 -1.66430091 0.29472403 -0.05878776
H 7.53733559 10.75531512 11.62750500 -1.34858999 -0.01495097 0.42184093
H 8.55160955 10.41087368 10.70964713 3.03035897 -0.16756960 -0.88020695
O 7.63645048 0.03068540 4.52261832 -3.89697507 3.54836431 -1.33055627
H 8.02327902 12.31353033 4.86643004 -0.82353469 -0.72943745 0.47348668
H 6.18724577 0.45538821 4.61727754 4.60298462 -2.43412525 -0.36791615
O 10.56481133 6.97323268 9.74104116 -3.99493411 -2.54093917 4.27711270
H 10.93560580 7.45028594 9.09253449 1.87496683 3.05751497 -3.54879111
H 9.70844385 7.37625405 10.06473886 2.17488090 -0.61703909 -0.51486345
O 12.79465825 7.51897314 11.69090043 -0.15354321 3.35190630 -7.48874988
H -0.28987375 7.20998657 12.49339767 0.92112863 -3.06217895 6.89508212
H 0.56179040 7.76535805 11.33190661 -0.45542674 -0.36606444 0.83982520
O 7.91141096 7.07594598 8.20431055 0.87529614 2.58673566 0.65792478
H 7.79864330 6.26646360 8.74761679 1.07808935 0.95953063 -0.34006030
H 8.61442288 7.81933413 8.46921666 -2.40758632 -3.44398780 -0.18336183
O 3.09011444 4.12120565 0.75787172 1.66949968 1.11511323 0.59206854
H 3.96813056 3.69025961 0.65441229 -0.93924976 0.47889782 -0.07382923
H 3.35536452 4.95249542 1.24553498 -0.63660519 -1.67726955 -0.94845946
O 10.29895270 3.35635937 8.49244754 -5.09871906 0.73510930 4.04289033
H 10.45775878 4.15916883 8.03989519 0.74571253 1.35323854 -0.53941748
H 9.32500204 3.82400386 9.27504771 4.04679326 -2.11036163 -3.03685358
O 7.94167990 4.02723436 10.73134339 3.94403654 11.93444469 -1.59831097
H 8.31189227 4.36318781 11.56813132 0.43136532 -0.56449088 -0.87675138
H 7.67031782 3.26786507 10.87533251 -3.83074345 -11.61012571 2.19987202
O 9.94011763 5.69907980 3.33558917 -0.26961670 0.59507159 3.00766127
H 9.92810531 5.84566189 2.42965366 0.43089378 0.84354816 -2.46489107
H 10.01441411 6.56999965 3.80861009 -0.26516560 -1.26818644 -0.84066852
O 4.64603303 2.13329325 5.46714143 0.94813036 -0.43893414 -0.82257824
H 4.80668064 2.08820206 6.40801851 0.34003922 -0.16976378 0.51616442
H 5.12803938 1.38526952 5.04009542 -1.33718457 0.84076622 0.65297283
O 8.01454760 7.69894631 11.96850679 -1.97525529 -0.29810915 -3.17608397
H 7.51415763 7.80176544 11.04011830 1.56587393 -0.32360575 3.46073596
H 7.67423373 6.88067959 12.38444008 0.19047762 0.65650553 -0.65827445
O 9.74125283 13.02643787 3.04139310 -2.40958150 -1.44069719 -0.19455385
H 8.33163058 13.37685902 3.17613220 4.10494133 -2.31426041 1.22305329
H 9.95350581 11.99681777 2.99478846 -1.41048159 3.20640242 -0.22078579
O 5.90270719 1.74043209 8.15017572 -0.96061049 -0.83342829 -0.73670853
H 6.69081081 2.14889340 8.46339571 0.84794474 0.36411966 0.19221877
H 6.13940815 0.83369224 7.90659545 0.15505296 0.15623361 0.48074336
O 0.71283874 11.38863441 6.44850056 1.46697387 -0.44957953 -0.28507571
H 1.24938210 11.49589863 5.63160970 -0.57045070 0.45041308 0.50367452
H 1.06938247 10.60576964 6.88163211 -0.32022475 -0.14962639 -0.28241719
O 7.55839684 3.03467784 4.95372841 2.72874284 -5.19923377 1.50806524
H 6.67022581 2.77843965 5.04322815 -2.85854242 0.89057364 -0.18571131
H 7.78488469 1.99422019 5.34828823 0.42644680 4.01038129 -1.90941962
O 2.25296139 2.94832141 3.84887519 1.19708001 1.11097890 -0.44385986
H 3.11583775 2.57339936 4.12400500 -1.10279251 0.43949207 -0.29577047
H 2.42880697 4.69625194 3.27779243 -0.43597994 -1.81311123 1.14763255
O 11.37916214 12.22891490 6.70351106 -2.08581788 0.04899135 0.98050055
H 11.45187108 12.00576087 5.80401564 -0.56710312 -0.09942971 -2.04104983
H 12.29871337 12.16324401 6.84056796 2.12432786 -0.16641261 1.03788243
O 7.32116670 4.71637126 2.36160676 2.94503948 -0.72989510 -0.58368160
H 7.62052225 3.68710571 2.34395870 -0.27964606 4.20691129 0.63111331
H 8.07275709 5.40570395 2.75826212 -1.86886818 -3.50327230 -0.98393040
O 5.03237472 10.69350722 7.54537908 -2.94021095 -0.31018974 -0.06627687
H 4.37225790 11.18294323 8.09201914 1.35327968 -0.34238406 -0.63881120
H 5.87640708 10.83098746 7.95051716 1.00265317 0.81791426 0.61273507
O 9.12523764 8.27776034 1.32922436 0.45877740 0.77318220 -2.14528236
H 10.10310421 8.24341674 1.17545604 -1.64086273 0.21963496 0.52772410
H 8.80455626 8.84244534 0.54633843 0.72753997 -1.38053337 1.93091918
O 0.13204506 6.14464701 5.25858211 0.88272149 -0.73546926 -0.64545493
H 12.62410444 6.44537842 4.61485920 -1.54667807 1.99611208 -0.49699531
H 13.19969049 5.25680936 4.89851935 0.43113238 -1.34211081 1.35712091
O 2.73805284 12.76894024 8.69829747 0.89119584 -0.53708292 -1.15337639
H 2.44840241 11.99115558 8.19774875 -0.41383862 0.86621500 0.27014634
H 2.32859669 -0.28644257 9.54979652 -0.66333952 0.21907497 0.66795208
O 7.42631421 1.83571045 0.56318743 1.09083688 2.13862834 -4.21656836
H 7.69005613 0.99411231 13.34690759 0.46308965 -1.23174877 -0.00943698
H 7.11838599 1.86368805 1.39392156 -1.68988339 -0.84038056 4.19882260
O 2.11619554 11.88791310 12.85620156 0.44992457 2.25519702 -1.93757834
H 1.92564412 11.12547458 12.34999064 0.04786417 -0.91863980 -0.99434851
H 2.03748572 11.66253653 0.63090095 -0.55209302 -0.91424836 3.56483994
O 2.11533298 3.82192948 6.60503118 1.24080419 -2.25867316 0.38129360
H 2.36102996 2.81372519 6.65673180 -0.88714378 3.16895173 -0.52587805
H 2.37770962 4.05336513 5.68992503 -0.47206692 -0.96977390 0.11743000
192
Lattice="12.9814631 0.0 0.0 -5.3e-07 12.9814631 0.0 -5.3e-07 -5.3e-07 12.9814631" Properties=species:S:1:pos:R:3:forces:R:3 energy=-29990.01300675 cutoff=-1.0 nneightol=1.2 pbc="T T T"
O 3.36219091 4.51233111 8.60002926 -3.23164551 0.15011027 3.55812936
H 6.19624179 3.40777952 11.38027341 -0.22769023 0.20724224 -0.28612626
H 2.42099103 4.48452814 9.43639384 3.53407926 0.25479737 -3.85628993
O 6.39997501 0.06834747 6.82289344 2.08581273 -3.26989325 0.26923669
H 6.87046647 12.23717006 6.33774377 -1.02974746 2.34943825 1.19914203
H 6.36462598 0.78647904 6.23127332 -0.25125799 0.91835184 -1.28986084
O 10.11845035 8.78095495 9.49328039 -1.36095185 -1.58739921 0.79957200
H 9.54466350 8.95082084 8.71226775 0.47346405 -0.74575881 1.17970449
H 9.76977549 7.92786837 9.94382187 0.66161174 2.12360795 -2.12791198
O 1.36190105 0.76887861 0.33201954 -2.75253069 -0.00816891 0.01098478
H 1.64429118 -0.10731502 12.97362599 0.07243621 0.46785751 -0.05046870
H 0.32485766 0.74290659 0.24155881 2.58520842 -0.48086729 0.17474350
O 3.62340336 7.45018010 12.31458869 0.38962963 5.39654024 0.63803472
H 4.26406762 7.45737691 11.57135930 -0.13087790 0.06080197 0.44194438
H 3.60273899 8.67014524 -0.38431124 0.01054564 -5.77233271 -1.23839250
O 7.55284048 7.82235044 6.40955312 -1.77023551 -0.74286889 -0.37938944
H 6.57259262 7.57607136 6.61878979 2.22715143 0.07868605 -0.71120318
H 7.92834463 7.19956178 5.73675722 -0.88309687 0.73982470 1.05701658
O 0.77550920 3.21136482 6.95550525 -3.37685629 -7.19667254 -0.72139504
H 0.52108292 3.96318805 7.36582926 -1.04620252 4.04829993 2.07273610
H -0.13882647 2.53256275 7.26999526 4.26151639 3.11351874 -1.33107563
O 1.74927464 12.15112585 6.04341541 -4.60249611 1.38087790 1.02970118
H 1.90980584 11.90590513 5.12332970 -0.89067134 -0.03136129 0.05889575
H 0.52765530 12.40026248 6.26625193 5.51172567 -1.25376255 -1.34588004
O 5.91879418 7.35291733 10.41960510 1.07293685 -5.19090340 -3.66153913
H 6.00034038 6.23381337 9.99144782 -0.57955755 4.52782613 2.26658701
H 6.34890941 7.72170093 9.60551888 -0.56538563 0.19953048 1.41979927
O 7.59935516 10.64995594 5.62954591 0.86727430 -1.34761297 0.35953435
H 8.52171104 10.41055617 5.33643466 -1.53944813 0.43319749 0.30890213
H 7.27830335 9.81724268 6.08289203 0.94985814 0.92309809 -0.54656515
O 10.01891212 12.18113020 8.36750880 -0.19965800 -2.43723114 0.03444507
H 10.14067579 11.43758330 7.70090427 0.00694455 1.72859392 1.17551359
H 10.00769356 11.65830311 9.21318690 0.09091061 0.65147131 -1.07911779
O 4.85787325 12.70226391 3.52339945 -0.95503634 1.20931332 -1.87374299
H 5.17055877 12.01983698 4.06320254 1.04360057 -1.64160835 1.63572052
H 3.94451867 12.40026248 3.38249014 -0.04007373 0.66581292 -0.12148463
O 11.53130058 11.54580004 5.62277244 0.97277181 1.43929851 -0.26893535
H 11.24935497 12.44608923 5.32976702 0.48528650 -1.17970449 0.10925852
H 12.47297143 11.46716431 5.32659196 -1.61576876 -0.38328312 -0.12658519
O 11.64062859 6.64286735 11.49568696 -1.82083482 2.95902628 -1.26132674
H 11.01900413 7.55532762 11.65814436 2.49238131 -3.23231400 -0.17430230
H 11.94421756 6.68102103 10.53279611 -0.67930607 0.18716964 1.67684275
O 6.61953064 10.14094038 10.15406398 -0.40524960 -0.57969639 -0.80803093
H 6.11585977 10.15739779 9.28584293 0.75498907 0.83738265 1.62958073
H 6.78378724 11.01540572 10.51422199 -0.23928076 -0.08066220 -0.83097546
O 12.51440600 9.85312090 3.21225913 0.48621467 0.80654998 -0.86077969
H 13.13317292 9.98986029 2.43590853 -1.45342930 -0.90563516 1.28772683
H 12.27638209 8.92462656 3.32106854 0.94321441 0.20258340 -0.36807144
O 11.61792689 0.07251844 12.73761295 -2.14750379 -2.84355289 2.21484099
H 10.86130932 0.20545834 0.40959480 1.84550713 0.55918413 -1.20028360
H 11.53870906 12.02327664 12.79476409 0.73522243 2.73543799 -0.89329901
O 9.02220684 0.34315343 1.65624000 2.06674543 0.85619284 -0.06676590
H 8.14578355 0.17372782 1.98293813 -0.32713536 -0.51971255 -0.53135964
H 9.26584003 12.96828130 0.78745273 -1.66886205 -0.27607222 0.74223640
O 11.20199361 3.85508243 9.35918689 -1.78121926 1.43712336 4.78489533
H 10.71684394 3.96801414 10.46463808 1.71748675 -0.93634442 -5.44878506
H 10.71107591 3.18282629 8.87456640 0.01618355 -0.15488481 0.68779586
O 3.63339952 4.97716037 1.21270483 -12.13447653 -0.17370477 -6.14210879
H 4.39567929 5.17235268 1.45039006 11.24986271 2.20051480 3.43464955
H 3.43920206 5.70569451 0.47748930 0.55184105 -1.93116601 2.13400035
O 5.97541614 3.32790551 0.42517537 -2.88061791 -3.23918399 -2.52934863
H 5.24659095 2.46730991 12.92959844 3.16560929 3.20904551 1.47435808
H 6.01240562 4.00540580 -0.29972174 0.00161105 -0.12998213 0.67611791
O 1.87975387 10.83802552 8.35375019 0.97155825 -3.12241476 -0.88248495
H 2.14545375 10.34245106 7.50717249 -0.88008868 1.73970623 1.35100168
H 2.18136900 10.08675264 8.93404592 -0.96662687 1.06085267 -0.17213280
O 2.56092136 1.56720593 10.12051414 -0.12271516 0.90453987 -0.70635408
H 2.07824824 2.42037718 10.30403280 0.83636964 -1.49369792 -0.80441082
H 2.76063813 1.52925864 9.13386323 -0.27065491 0.40492564 1.40523654
O 1.21308054 4.66417322 10.34456777 0.38032121 -0.02651887 1.22884856
H 1.64848226 4.89862518 11.20426907 -1.74408739 -0.12119924 -1.10571328
H 13.21339618 4.72156249 10.30223360 1.14411528 -0.03339658 0.34881542
O 12.21404502 6.81463827 8.09630548 -1.25218904 1.07845958 -1.53658906
H 11.37085405 6.49639110 7.64592275 1.75968370 0.38218423 0.52541525
H 12.36830018 7.70175095 7.66269767 -0.38958592 -1.70334568 1.19039514
O 9.60107379 4.49915989 2.21096588 0.25456700 0.58956942 -0.29514158
H 13.76146502 4.21805567 3.33372117 -3.66335433 -3.58687429 -0.80142834
H 9.91588131 4.33800426 1.26234694 -0.92252731 0.90048781 2.39659742
O 7.21501375 5.77337628 12.43968618 1.55797036 -9.64066054 9.81035336
H 7.32709349 5.90932190 13.49126713 -0.51126493 0.36117729 -4.05951508
H 7.11928559 6.45749658 11.97850824 -1.32417479 9.38766397 -5.40641328
O 4.52576163 10.58179792 8.32094120 0.58946144 2.30954501 -0.63115959
H 4.52422172 11.54812842 7.97713477 -0.20782691 -2.16390743 1.29503390
H 4.08462892 10.61148476 9.18815681 0.23334923 0.24136747 -0.87894711
O 1.12034753 3.56841656 0.50900709 2.42044184 -1.81955441 0.12442135
H 2.12238162 3.71118857 0.69709572 -2.23483389 0.24548535 -0.08637107
H 1.19587170 2.58818457 0.20106459 -0.40779088 1.68101308 0.52946731
O 10.26783708 8.78704049 12.67908595 0.53241894 1.63019265 -1.83856515
H 11.11044595 9.42628656 -0.31844720 -2.92016148 -1.93416392 -0.40328219
H 9.59615244 8.94357111 11.90278298 2.40487638 0.52582663 2.13389237
O 9.21392775 12.01295768 11.52468587 -0.71982152 -0.94175402 0.96036881
H 8.40153489 11.72270398 12.05179929 1.44631763 1.13157858 -1.42369706
H 9.15836414 12.79439367 10.95306865 -0.87899339 -0.49248610 0.96785072
O 2.57219283 11.44938395 12.13059377 -2.94574910 2.39400575 -4.55054954
H 2.23566788 12.07381306 11.18511285 1.89443523 -2.76944855 4.18580253
H 3.45513030 11.71947600 12.37597325 0.45752527 0.36465753 0.13586430
O 4.72623512 12.04788338 0.63820888 -1.26058626 -6.99653786 2.71470976
H 4.87819365 11.96559632 1.60770916 -0.65744141 -0.14655186 -0.55348656
H 5.00347106 12.85334401 0.52188991 2.13934311 7.22814285 -1.69398173
O 9.70537462 4.58373828 12.41370358 3.70114955 -0.77905974 -1.61116649
H 8.91727100 4.94185896 12.71300621 -2.52169703 1.03505936 0.46708669
H 10.28746955 5.33548214 12.16472570 -0.46986862 -0.53781311 0.20710237
O 12.85292067 3.30361628 2.90123522 6.58793811 2.03922434 0.59202740
H 0.13951651 3.59499713 1.80820382 0.20561113 -1.81155314 1.94653092
H 0.56012879 2.48556652 3.33656285 -2.08523681 2.91585231 -1.71306446
O 0.85709245 6.75632295 0.30124894 -0.94192371 -1.54642611 1.07666495
H 0.96059422 5.97964956 0.92130281 -0.27304295 1.64420002 -1.22694595
H -0.07063563 6.66165314 12.93499605 1.05885749 -0.04917287 -0.12582003
O 9.77781898 2.40835428 6.29546251 0.34636516 -4.12256368 1.29872601
H 9.98996612 1.38040638 6.45643822 -0.84101305 3.66801317 -0.23664692
H 10.27101214 2.52876326 5.48322841 -0.11299022 0.26924029 -0.51400675
O -0.07625338 6.84305509 3.78680799 0.19354546 1.11785917 -0.35353340
H 11.93792035 6.71822219 3.97949729 1.86052237 -1.69040789 0.15931842
H 0.54884673 6.13438097 3.54656154 -1.75426382 0.43195359 0.52624315
O 1.51975461 8.36772047 5.91540744 0.14311635 -2.39568211 -1.17642376
H 0.70394857 7.89320726 6.14914502 0.18960756 0.61618549 0.29028785
H 1.79412241 7.66703692 5.24778160 0.00133440 1.67677076 0.94289559
O 3.47449289 1.06672071 7.30904854 1.14759141 0.45584377 2.06618493
H 4.13245596 1.77995105 7.09833018 -1.94453061 -1.24761762 -0.84494169
H 2.85265146 0.54930182 6.78458101 0.60131422 0.73172059 -1.00005122
O 4.60123288 4.24204327 5.67262094 0.12975947 -0.62391422 -0.44235422
H 3.73492746 4.30565037 6.15639474 2.10622215 -0.24658115 -0.20244919
H 6.12575538 3.48110232 5.72029980 -1.48668909 0.90253955 1.02833850
O 6.89348568 7.92056573 1.69827784 -3.98817210 -1.00536826 2.59811536
H 6.06886883 8.13641711 1.05903177 2.40703096 -1.02386478 2.69474771
H 6.39875791 7.50738416 2.77447611 1.80507396 1.97112610 -5.23558917
O 0.13398820 9.53206908 0.44069349 1.94937971 1.21083027 -1.01216626
H 0.40861794 8.61362912 0.66269391 0.18651555 0.59533898 -0.54132010
H 0.93580756 10.01668957 12.99161801 -1.99323759 -1.62468535 1.15627146
O 4.78882091 7.24803441 7.05541391 -3.40574006 0.34564628 -0.18534467
H 4.45393641 6.89581406 7.90188577 0.88795111 -0.35345626 -0.38977515
H 3.86194586 7.35556322 6.61746685 2.81237055 -0.18054648 0.50786285
O 4.96813790 1.12669766 11.89288737 -1.14312798 -0.39244653 -1.93583513
H 5.46994607 0.40294199 11.44774350 -0.21909914 1.25360829 0.42751998
H 4.28343022 1.37209830 11.17516432 0.85642424 -0.28310265 1.26363559
O 10.82125060 5.59980615 5.66494787 -0.37806584 -0.46126777 -2.57435322
H 10.03150653 6.40960604 4.27029604 -1.36545128 -0.01799772 1.98322571
H 11.00196462 4.72933081 5.20692912 -0.32504763 1.70715606 0.99167970
O 8.91642432 6.04262164 8.43656642 1.65273609 -2.43455205 -2.23459220
H 9.60483095 5.29558218 8.49715721 -1.27492788 1.59535420 0.68132182
H 8.87186760 6.00669051 7.43520439 -0.13797415 0.69786944 1.66692343
O 8.96457944 6.65583219 4.00245829 1.40837842 -1.64565527 -1.69293786
H 8.79968783 7.54379155 3.59436741 0.77424149 -1.08255278 0.13219431
H 8.99812928 5.79681883 3.24585130 0.17525772 0.57483186 -0.41395895
O 4.17418687 8.71242650 2.23718132 2.58111008 2.64015290 2.50201780
H 3.86357573 8.22494846 3.02891510 0.27784423 0.78447963 -0.50079437
H 4.85745520 9.43147250 2.69890961 -3.06431811 -2.92531912 -1.79773089
O 9.65626697 1.91203368 11.20411031 2.58449880 -0.88874815 1.76835346
H 10.45156740 1.34882508 11.49309399 -1.63202842 0.65489088 -1.19986708
H 9.83031336 2.60896006 11.87314906 -1.11508238 0.24468882 -0.65846985
O 6.74743277 1.12718450 9.62102377 6.95020658 -1.36747731 -2.44005935
H 7.43271726 0.85170543 8.22341384 -3.04461831 0.14412937 3.62981172
H 7.76493471 1.05076602 10.03282948 -4.03406630 0.34455047 -1.17679400
O 6.82813229 3.84562604 9.69013432 1.29883399 -1.48106866 -0.19064526
H 7.07531097 2.90789756 10.03727457 -0.61179404 1.85354440 -1.72564229
H 7.05223884 3.85229896 8.70517678 -0.73504245 -0.01986177 2.07985292
O 4.96134327 10.44400017 4.90013334 -0.83009100 0.54289361 4.11349797
H 5.86444768 10.15708029 4.69084375 -0.15341619 0.30335111 1.06127433
H 4.84523120 10.64371165 6.00811929 0.91671662 -1.31350985 -5.00828821
O 2.24378546 2.92361942 4.52966696 -0.93202496 -0.43972141 -3.13289457
H 2.65339507 3.62692239 3.96992976 0.41525479 -0.77077050 2.33914869
H 2.23009564 2.96442427 5.48656223 0.23125121 1.07927205 0.28865777
O 2.26276704 0.05276056 3.00723471 -0.31323135 -1.13789321 0.79158101
H 2.36070187 0.52938888 3.85587620 -0.03068869 0.83700727 -1.74947642
H 2.27584830 0.46522350 2.12554081 -0.20583431 0.63923800 1.04315834
O 12.23574129 1.03658407 8.94690492 -0.45189867 0.50111987 -0.03430983
H 13.01463722 0.63264723 8.55409668 -0.49505875 -0.58231377 0.63213661
H 11.55537815 0.39161177 9.22668092 1.26845898 0.07797848 -0.84967767
O 10.89374788 1.38130598 3.94878384 -3.71600025 -5.15362240 1.69425941
H 11.21109545 1.92485035 3.33829326 2.33779115 4.26677172 -3.62970887
H 10.23153552 0.90434798 3.32360330 1.12531537 0.81315771 1.75907178
O 7.62269187 10.94364929 0.87093573 -1.47940258 -0.65193925 0.45803846
H 7.81430694 10.01907087 1.15641625 -0.57918731 1.26165584 -0.38687958
H 6.65472092 11.11732525 1.05871426 1.83508902 -0.59886653 -0.56899031
O 6.83374157 1.77067457 2.79367995 -2.24082456 -0.52487532 -0.89006456
H 6.98767922 1.99995118 1.84824137 0.20728801 0.47162623 1.16369680
H 5.84185181 1.57865204 2.79247872 2.12649273 0.20196840 0.34590956
O 3.41492341 6.15867021 3.81817232 -2.22668349 2.12317601 -0.32758582
H 3.36717575 6.57619102 2.94861246 0.18698452 -0.96672972 0.20188098
H 4.11833222 5.54916389 3.86787794 1.47776736 -1.34146289 0.57341261
O 7.10695577 3.12216671 5.69003087 1.04089062 -1.48018420 0.02231718
H 7.18008806 2.55006264 4.84059561 0.62342571 1.11227474 1.63398760
H 7.74715435 2.92498469 6.52618378 -1.64432344 0.40639734 -3.26900879
O 9.39845184 9.75358266 3.21891088 1.90347009 -0.63126244 -1.79542718
H 9.19175522 9.24663090 2.41745612 -0.76249155 0.10399085 0.36837586
H 10.33361380 9.93376750 2.90026683 -0.93580963 0.35536402 1.46812058
O 12.43878658 10.94428430 9.92498316 0.54722849 -0.00399138 -1.37285092
H -0.04760637 10.64614586 9.10846273 -0.56911373 0.53417757 1.52337359
H 12.63918599 10.30191609 10.59592695 0.07881306 -0.45459524 0.01136531
O 1.90408015 7.91844902 9.29330433 2.20553873 -2.95769959 4.31549413
H 2.27668969 7.25888254 10.17062722 -1.97171231 3.15083573 -3.73163255
H 2.51489352 7.56411196 8.64617352 -0.23352200 -0.02419974 -0.46977966
192
Lattice="12.67269878 0.0 0.0 -5.3e-07 12.67269878 0.0 -5.3e-07 -5.3e-07 12.67269878" Properties=species:S:1:pos:R:3:forces:R:3 energy=-30010.77665483 cutoff=-1.0 nneightol=1.2 pbc="T T T"
O 3.87024336 11.58622918 0.10006900 -2.77739326 0.88705122 -0.47710474
H 3.42339025 12.34766226 0.55382628 1.17343100 -0.87745072 -0.00800282
H 3.00500158 11.13637563 -0.19470017 1.51798456 0.39901878 0.05122512
O 8.03629678 9.11978712 2.43898834 1.10295706 2.39054505 0.42152725
H 8.75730073 9.58657434 2.97129828 -1.03691570 -1.42842789 -0.96288335
H 7.58861286 9.90937243 2.05903911 0.39180530 -0.95022838 0.59197598
O 6.12935379 10.26593204 6.36065715 -2.13480254 1.31406007 1.66892890
H 5.38929946 10.92015382 6.22238314 1.58346028 -0.38484841 -0.44190479
H 6.14755748 10.46347389 7.35561614 0.53951004 -1.06333635 -1.07173872
O 11.95421901 1.29397057 7.46653168 1.35686894 -0.46491925 1.05642009
H 12.33226321 1.47359448 8.36316954 -0.53469179 0.13080643 -1.30793056
H 12.70607399 0.78309231 6.98476875 -1.22491992 0.20596749 0.42612490
O 9.85428509 5.03749716 6.13834980 0.22409942 -2.17944203 1.81268957
H 9.20763054 4.45679396 6.61339218 0.70379840 0.48379680 -0.40934896
H 9.30976174 5.71680724 5.80840781 -1.28448724 0.78186739 -1.08577694
O 11.11960071 7.52050776 5.78787573 1.12604042 -2.00921442 -2.38746486
H 10.34991246 6.97931822 5.41131323 1.10555387 0.94910738 0.87480249
H 10.93200739 7.87828447 6.66160023 -0.45929830 0.38618024 1.30316888
O 6.45934870 7.47600395 10.41420749 -5.99663577 -4.74340286 -7.23117675
H 6.94709133 7.84780386 10.99799579 5.40934434 3.62769827 6.58850376
H 6.44532550 6.50046577 10.46749564 0.48086832 1.09743947 0.24684289
O 4.79598068 0.24670612 10.13596612 -0.34191509 -1.89881125 1.54672435
H 4.50817707 -0.27426884 10.94571308 0.53339596 0.68024710 -1.02852362
H 4.18241558 0.97184453 10.17972907 -0.24474950 0.99348462 -0.18691304
O 8.70761099 2.18314175 3.74237298 0.90734237 2.47036238 -1.76677480
H 8.73481070 1.45201464 4.29926320 -0.10953157 -1.81585717 1.15297016
H 7.81277233 2.50706170 3.72969389 -0.65837729 -0.30722474 0.44732210
O 12.02375289 3.43381504 5.56969597 -1.58611880 -2.35662191 1.60781891
H 11.24983123 3.86703655 6.01293480 0.90474042 0.23844053 -1.08589007
H 11.88923605 2.51929099 6.00727261 0.87081728 1.95847627 -0.84851039
O 11.13034301 11.46912226 9.04078096 -2.80652900 2.47043437 0.87824777
H 11.75657132 10.88713317 8.72946601 2.96438446 -1.27682535 -1.19483801
H 10.99762537 12.28252055 8.51689552 0.69268610 -1.16295633 0.10926726
O 1.76901295 7.38646717 9.43856347 -1.12083651 -3.17332775 -1.19152128
H 1.45981471 6.48115080 9.10967983 -0.35384501 1.64322815 0.98390983
H 2.58580327 7.36545883 8.93129420 0.94801723 1.06815460 0.41787731
O 4.24766313 7.89659400 8.43704268 -12.80296340 -0.69380195 -10.41718518
H 4.38714366 8.44582702 7.60194813 -0.63622467 -1.30497379 2.02708873
H 4.93215914 7.99787852 8.82958634 13.69637039 1.79402850 8.59617552
O 6.10580540 2.22690470 1.01438509 -2.44679050 -1.61694633 0.08686576
H 5.66325450 1.37476535 1.31905886 0.85801318 1.88441307 -0.36472849
H 5.35188663 2.71024458 0.53971842 1.45102789 -0.61340870 0.42838079
O 10.25751812 9.84089690 4.16277781 1.72244898 1.43040764 -0.13832793
H 11.14357244 10.33583635 4.07522544 -1.67929044 -1.32378398 0.09967705
H 10.42415602 8.99394878 4.58382824 0.32072817 0.16839699 0.02987571
O 10.51575660 8.77074183 8.19430910 0.62437188 -1.58883388 -0.12816847
H 10.96481638 8.17107822 8.85800315 -1.06186568 1.77050290 -0.73685765
H 10.55084105 9.73130430 8.32692091 0.24210023 -0.72043859 0.51702317
O 5.43422660 5.99705949 0.87381445 1.30890758 -0.56858922 -0.45882471
H 6.34367056 6.17454552 0.49140666 -1.29190230 -0.08764480 0.63949511
H 5.34902907 5.05068425 0.62131225 -0.57538722 1.03991875 0.19567742
O 10.18756089 5.61091888 2.10752762 -1.01646000 -4.11455726 0.63604469
H 9.42221189 4.95819466 2.32353775 1.10695255 2.53573525 -0.42235515
H 10.82950577 4.83902925 2.08880533 0.19727459 1.40833214 0.55828424
O 7.75450992 3.45199228 7.41446064 -1.65145568 -2.47174563 0.27184327
H 7.80287671 2.77506879 8.17372410 0.61090958 1.56474779 -1.98340569
H 7.15675134 2.99632307 6.76891736 1.05938714 0.52656197 0.43247707
O 11.03842493 3.25454039 10.92057717 -1.68270487 -2.73763886 -2.38270318
H 11.33539918 3.94866742 11.45636909 -0.76112887 2.20570843 0.69898530
H 10.19094763 3.39668797 10.38367397 2.44075869 0.56866121 1.72186277
O 4.21557382 3.89592962 12.37142232 -3.35546985 -1.32488441 0.71862339
H 3.29546695 3.59014986 12.74073510 2.87379421 0.82766902 -0.79462520
H 4.06883298 3.68656066 11.40403346 0.93810305 0.00648689 0.89889887
O 1.43420253 10.92571018 11.49605738 -2.08517510 -1.09699210 -3.81158873
H 0.49828543 10.68250034 11.83737668 2.63720642 0.67491463 -0.89489823
H 1.40256832 10.69033216 10.33610094 -0.41932896 0.32832373 5.07570254
O 3.94232788 8.67030400 5.65124218 0.50163255 1.74492043 -2.25121181
H 3.71085519 8.85699772 4.67991624 0.82511334 -0.46288242 2.11653742
H 4.82402707 9.15164359 5.80412147 -0.78149201 -0.94648999 -0.45098695
O 1.40636252 3.65017443 11.11616106 -2.18663084 0.60757743 1.06605144
H 0.46178226 3.32449232 11.02995809 1.73941312 0.29780627 -0.23729793
H 1.29956927 4.47561151 11.68656118 0.22584366 -0.91952426 -1.37902157
O 12.09434513 5.42930526 8.46313112 1.29081215 0.62825939 -1.50364809
H 11.15913025 5.41919797 8.72824890 -0.04636316 0.33279848 -0.21269401
H 12.21388627 5.75040999 7.53294342 -0.74713692 -0.93527484 1.60971124
O 7.26983651 4.82612791 9.45131664 -3.47490788 -1.72403278 -1.23172820
H 6.61820769 4.47507704 8.59838881 3.58204062 1.21230094 3.61822633
H 7.11896809 4.16115324 10.21126803 0.14034830 1.01708735 -1.50965933
O 7.74069839 8.14562479 7.51320511 -3.60047543 -6.01735886 0.20023547
H 7.49796481 7.80377632 8.41153634 0.88608449 1.39596514 -0.93023548
H 8.20087089 8.88890710 7.40377126 2.75140454 4.12158666 0.76052209
O 5.05896059 5.00039125 4.39063094 1.23248410 3.22688897 0.95741204
H 5.35987721 5.93038316 4.14353693 -0.34211718 -1.72250040 -0.48136557
H 4.93902257 5.25839160 5.33251875 -0.49716603 -1.01054132 -0.74304373
O 0.73604846 9.83274757 9.10534058 0.16419426 0.64268328 -2.18151434
H 0.68957082 8.86419453 8.99289042 0.64412824 0.30954645 0.55135769
H 1.24734477 10.13765948 8.30511880 -0.47319974 -0.52426340 1.12800989
O 6.03293770 2.55240690 4.33551184 0.32423413 -3.24041297 1.15701708
H 5.95663035 3.47544012 4.25444189 -0.63409579 1.61936831 0.29863417
H 5.44703269 2.17663816 5.06572347 0.68057106 1.27116892 -1.20397057
O 10.78695992 5.79994097 12.20578985 1.64817495 1.10253025 2.07397023
H 11.59093885 6.37870209 12.34797977 -1.13999637 -1.02657472 -0.56999819
H 10.44251847 5.76840201 13.15598045 -0.10692036 0.07599256 -1.12289853
O 2.77553976 10.62995304 7.10536823 1.31921770 -0.67534657 -1.75125562
H 3.08281180 10.03838584 6.33044113 -1.11737066 0.48736704 1.67486300
H 3.57181387 11.21368842 7.13981767 -0.53507746 -0.31148249 0.46132588
O 3.46333784 0.39380468 2.54870266 0.80645742 -0.94897882 -1.58717809
H 2.77287271 -0.20024119 2.88838680 0.51200849 1.54149473 0.26234099
H 3.72610078 1.25971164 2.87151134 -1.02738719 -0.66855372 1.28701720
O 3.24740708 6.04352124 5.98568218 0.17157590 -0.78907162 0.07087555
H 3.31079721 6.91110728 6.37383366 -0.56710827 0.38479081 -0.11805992
H 2.34079422 5.73808016 5.78597070 -0.12604577 0.60193643 0.05741582
O 8.73174147 11.38651770 6.82109424 0.84543535 -1.84637102 -3.45393797
H 7.96792709 10.77558261 6.83913918 0.27685229 0.94794009 0.06090430
H 9.08602561 11.14124406 5.85042448 -0.94835661 1.17948338 3.51164895
O 2.09866390 7.69587708 3.21935010 -3.22146908 -2.08647094 2.07495754
H 1.26075412 7.11415258 3.60811014 0.57388569 0.44357703 2.07355886
H 2.72627865 7.14648530 3.85398704 -0.82242397 0.18887068 -2.20464913
O 8.80789007 2.65315165 0.73058206 -0.05749913 0.01778689 0.78401683
H 8.06481943 2.12928209 1.13017435 0.80204026 1.28014722 -0.03102550
H 9.31785815 3.08047283 1.45369742 -0.77547562 -1.31980906 -0.61052906
O 5.99668906 7.54469115 3.11997591 1.89851300 6.71556768 5.02058837
H 6.50755674 8.23283320 2.62237471 -0.53598763 -1.29120810 0.72769424
H 5.79247958 6.88337839 2.61851700 -1.73070737 -5.79274727 -5.58273955
O 0.71292341 5.98991559 4.83942084 -3.73588516 0.72287599 -1.36353324
H 0.10823791 5.35135745 4.27069292 2.05873387 1.65181563 2.13692113
H -0.45486962 6.82516890 5.59832446 0.07686571 -0.30626058 -1.26827386
O 1.68249777 3.96926300 1.63166501 1.33552878 1.09034322 -1.76800893
H 0.74495451 3.82360697 1.79146594 -0.12970291 0.01425728 0.28061639
H 1.81491379 4.44727936 0.76730166 -0.72503572 -0.83397851 1.85943737
O 4.73992494 -0.25747011 7.36180751 4.13477642 0.61166034 -11.81370567
H 4.11604617 0.33304297 6.84771185 1.66227488 0.16464060 0.05937706
H 4.32306559 -0.25387171 8.06439609 -5.40281374 0.05367435 12.01553729
O 3.22985956 7.75032942 1.01323677 0.77865865 -0.50282091 -2.65250962
H 3.96090200 7.07292967 1.08216739 -1.13013362 0.76436331 0.61093015
H 2.55910099 7.92612209 1.65934627 1.36138894 -0.16578783 0.23632862
O 1.07634115 6.17290507 12.19510048 1.23846963 1.39382598 -0.50535448
H 1.15849062 6.63736391 11.31015743 0.07551382 -0.67018894 1.33331763
H 1.82231697 6.59592933 12.71977968 -0.79150388 -0.26616113 -0.79900636
O 4.21438847 2.17536284 6.48654840 -2.48087819 3.38385483 -2.06205574
H 3.22747297 3.02620042 5.63039260 3.03037440 -3.11253658 1.74262186
H 4.57881694 2.87596701 7.09430843 -0.91122988 -0.88536972 -0.81480836
O 6.40034544 10.35605092 9.25901364 1.67562405 0.95413645 1.18262012
H 5.66955171 10.91740210 9.55799877 0.59309698 -0.02554905 0.07031813
H 7.20940447 10.60910346 9.84428364 -2.21069637 -0.60837962 -1.44312946
O 1.31159747 10.44400017 1.71092517 1.51147967 -1.91553370 -1.49396531
H 1.18643647 7.37561904 2.30900125 2.34515479 0.75022225 0.74774370
H 1.88923672 10.01102738 0.97898842 -1.51792285 1.34232164 2.20833609
O 11.18992836 0.36674785 1.81752792 -1.67082637 -0.56998276 0.06405801
H 10.72520494 0.45217134 0.97018821 0.74196900 0.13477981 0.10963185
H 10.46495559 -0.09819941 2.31009136 0.81211385 0.77675089 -0.13628699
O 12.05613854 3.35422679 2.84521652 -0.92187425 -1.59265454 -0.17384567
H 11.94400589 3.07686914 3.83148113 0.16255647 0.73645142 -1.67011675
H 11.85314616 2.57632041 2.24747382 0.13825903 0.89862633 1.63008467
O 0.40345211 11.92294464 3.83308983 0.35671231 -0.00664682 -1.36054048
H -0.10689644 12.46132953 3.17467167 0.96101158 -0.86036317 0.59397115
H 1.14839392 11.49425818 3.31981969 -1.68948230 0.00028488 -0.31021956
O 7.87891948 5.46745893 12.77264448 1.59828526 -2.23606801 -1.27246990
H 8.51753054 5.86143137 12.15064959 -0.60703236 0.23835054 0.63208005
H 8.09000827 4.47489712 12.66284021 -0.76655389 1.92774644 0.54838549
O 3.70122416 2.81504813 10.11882077 -0.60372078 -5.29806699 9.53627375
H 3.68552876 3.20222593 9.39114919 0.41087671 5.38440464 -10.67213579
H 2.80188749 3.02527965 10.42722525 -0.52420684 -0.37382866 0.39715936
O 7.33042730 11.54839301 1.25130831 -1.25821056 -0.13657958 -2.28165368
H 7.11002499 10.69234303 0.75430507 0.22686233 1.85291705 0.25549877
H 6.89666074 12.23013201 0.64910464 1.02671356 -1.40984910 1.36478794
O 3.33711320 3.00909741 3.87682103 0.87813464 1.49367221 -0.86000322
H 3.08565877 2.97521949 2.90489713 -0.39890411 0.68176405 1.94184123
H 4.00445858 3.78366468 3.95531918 -1.46388855 -1.52464886 -0.59280387
O 5.79486087 9.78057070 12.53811314 -0.72510257 0.10853347 -0.93174214
H 5.20320900 9.42088895 11.82763982 1.11639879 0.31472979 1.22437484
H 5.36866155 10.62788925 12.77518453 -0.57241502 -0.80182943 -0.11488461
O 9.45629091 10.75584430 10.89782255 0.59950931 -5.20108497 -3.89383318
H 9.97520208 10.86125640 10.03441701 -0.68694739 -0.55909671 1.46950898
H 9.51746379 11.59951153 11.12674461 -0.23719560 5.99673861 2.46399118
O 8.39703689 8.59870632 11.87881126 0.12879634 -0.08518940 2.28862651
H 8.72025833 9.19466569 11.19828936 0.25629067 0.50168448 0.60243008
H 8.51038664 9.05993718 12.77380867 -0.14102296 -1.10591897 -2.46226855
O 4.22255367 4.43631481 7.99623807 3.57105686 2.06585583 2.80702779
H 4.03421950 5.13325707 7.38413879 -1.22763500 0.51396716 -1.36817151
H 4.94584367 5.00065584 8.52393358 -2.43761681 -2.10697806 -1.08091242
O 9.91429378 5.96086376 9.79295345 -1.62028362 -0.05301667 0.52984269
H 10.19131805 6.06558793 10.74314405 -0.35290862 -0.25076125 -0.94201113
H 8.94764577 5.71405551 9.79538766 1.44637419 0.39599003 -0.29822999
O 0.88829803 12.37115773 6.28307977 2.68333201 -0.95832221 2.68969806
H 0.97234196 11.97057059 5.43359159 -0.97549718 0.31156939 -1.77084743
H 1.69863768 11.91162024 6.71398877 -1.92529361 0.96356212 -0.40948523
O 6.75108409 2.59698478 10.89353621 0.25071703 -1.01812607 -0.30423146
H 6.49967200 2.28511949 10.00510059 -0.00393636 -0.29934945 1.11729867
H 7.08674120 1.80002274 11.38963984 -0.49770956 1.28502717 -1.00458664
O 8.96341525 12.19816970 3.59688629 -1.40592045 -0.91707143 0.01139462
H 9.28203285 11.38154343 3.94515898 1.65583684 -0.70506853 0.63315991
H 8.08953201 11.78906280 3.45115089 -0.12799312 1.51524891 -0.71783663
O 8.97055915 0.80824410 11.32682651 -0.27527107 -0.09512105 -0.28735988
H 9.02786904 1.36658427 12.14895622 0.52482904 0.19310015 -1.91813052
H 9.12851854 1.21688004 10.42389144 0.04905048 -0.12604217 2.09749583
O 9.34108903 1.28546140 8.41201260 0.83281123 -2.07368227 -1.11173480
H 10.21751232 1.18637826 7.91241640 -1.29381520 0.93428239 0.78327635
H 8.92224527 0.42685286 8.13969801 0.16530858 1.16053949 0.32962111
O 8.38401913 6.88189670 4.88793580 3.12679077 -2.68165565 0.65517884
H 8.09884553 7.21310871 5.70611786 -1.86491382 1.96903836 0.89403948
H 8.25643450 7.08610618 3.99377978 -1.39144000 1.40648609 -1.07741572
|