32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=7662920.370138425 pbc="F F F" Fr -0.04667337 0.24774859 -0.11940292 87 -1271833.01349021 -2736641.08615234 -2113135.43257221 Fr 1.34658176 1.24237182 -0.11445356 87 1409870.49690041 1152925.82100152 -643172.22986729 Fr 1.71760980 0.38159473 1.54837157 87 -1523882.60353527 -1558778.82769944 -383590.03848754 Fr -0.08221816 1.31618851 1.12862723 87 -521286.50132854 1817623.48158433 2245480.25269222 Fr 3.14355887 0.26712586 -0.20356909 87 -770682.31084390 -1651299.11108441 -1833949.78385030 Fr 4.33052693 1.47918045 0.26772215 87 6080253.01053057 1341303.11309306 -4446941.02711561 Fr 4.50055885 0.02581746 1.25317357 87 1268470.29345484 -1827604.44215119 723962.70105734 Fr 3.18721831 1.16290503 1.25906345 87 -3817271.15552672 1105693.21595045 4844358.09941593 Fr -0.01805817 3.13141277 0.27939922 87 -157646.78173771 -15492.82685516 -304799.09031104 Fr 1.59026902 4.74112408 0.23367627 87 84898.04757198 324922.53426961 -796533.91776978 Fr 1.65604023 3.29345136 1.53050097 87 -1616650.53776894 -1155790.81083566 -1267482.72579373 Fr 0.21837945 4.65833065 1.51889955 87 -833580.51415327 336091.95861470 188539.85040457 Fr 3.47201567 2.93120721 0.44988102 87 -1261877.24815663 1358119.57918765 -516432.45186456 Fr 4.63300463 4.50574904 0.00229632 87 150275.52458112 197842.92209188 -129035.68759016 Fr 4.74371967 3.19321542 1.76563588 87 1465345.76094723 -2940640.84287157 -3201513.66165893 Fr 2.98298711 4.52979199 1.53251148 87 1354350.49079241 986145.93382799 -745575.92565287 Fr -0.04771348 0.08127716 2.68836950 87 -201729.69899284 -265887.31973218 148291.61398300 Fr 1.64702400 1.18920340 3.12937273 87 -3677983.62159870 3133761.01556904 647284.29899649 Fr 1.33921223 0.04390667 4.72210441 87 396153.03138853 -676976.53137186 319850.98223160 Fr 0.11216350 1.37256985 4.48578823 87 -664862.56062841 -639122.42076891 1074689.74665828 Fr 2.94962744 0.30027513 3.10164843 87 3783098.17670107 -3213601.40234923 -504973.06052126 Fr 4.68070112 1.71791637 2.84610697 87 298490.76209335 -1438535.89440051 -1096704.12407782 Fr 4.44736968 0.10471950 4.62066801 87 1437580.49192464 -1427317.54735994 144953.40546529 Fr 3.26304176 1.30449530 4.56291286 87 -1634396.27045043 1378516.14924821 802822.64897225 Fr 0.11756199 2.64273414 3.32447306 87 -748508.95388670 746274.31227210 -1687899.02514394 Fr 1.68459379 4.65599794 2.71521866 87 -543274.27126194 795146.21612151 1500032.81936413 Fr 1.49223096 2.95401417 4.42491805 87 739750.18448664 176682.88995985 636373.47640492 Fr -0.13274820 4.37081107 4.17780036 87 -117508.77088064 322042.22772447 148570.72241720 Fr 2.94516719 2.96180422 2.60101243 87 963337.83828249 -735298.62536309 1366017.81629035 Fr 4.49172137 4.34809803 2.80406920 87 -490390.71061640 3652079.18431352 3341098.72053992 Fr 4.53279834 2.59316573 4.29541974 87 344287.28335853 1375967.09511579 1463226.79065798 Fr 2.82795357 4.60489338 4.60241919 87 77204.13184343 81850.03904983 76184.23672559