32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2.4994541602745404 stress="0.00015953213814704121 -2.0728150218418568e-05 -8.937916966939694e-06 -2.0728150218418568e-05 0.00017796922817428626 4.625895066795967e-05 -8.937916966939694e-06 4.625895066795967e-05 0.00013872848921623514" free_energy=-2.4994541602745404 pbc="F F F" H 20.88909689 21.13714415 21.07420351 0.13652596 1.40264084 1.63011130 H 22.61543713 22.06703166 21.13708343 3.06030478 -1.91573685 0.11369326 H 22.06120567 20.89345311 22.38687053 -0.29941077 0.26668711 -0.20532526 H 20.97882984 22.22221844 22.22919618 0.04275362 -1.71791229 -1.55023476 H 23.87472952 21.24082058 21.21260583 -3.00681174 1.87431600 -0.23380483 H 25.54957468 22.31036064 20.86632813 0.08426532 0.02960219 -0.08421609 H 25.28802619 21.22277084 22.68584377 -1.22549441 0.22219130 3.46212739 H 24.42986908 22.83884322 22.50183902 1.17066320 1.89237269 -0.03228168 H 21.38002264 24.38573357 20.90683192 0.71102592 0.71087465 0.26975270 H 22.70996341 25.40541013 20.99955722 -0.82819035 -0.52003999 -0.08434003 H 22.41089551 23.78005503 22.32901317 0.00607455 -0.08084386 -0.00759382 H 20.89647409 25.14031102 22.42530386 0.00640344 -0.03946131 -0.25873024 H 24.19178619 24.23884059 21.29140871 1.17039049 1.47741031 0.85948647 H 25.31701104 25.34679311 21.13748754 -0.99449472 -0.97378100 0.07862160 H 25.28091226 24.13887007 22.46603997 -1.44626203 -1.95650069 -0.35479081 H 23.70569999 25.19523734 22.51361598 0.17544460 -0.37341428 -0.76451425 H 20.81296379 21.19381434 23.83045996 -0.11768691 -0.05815620 0.11342614 H 22.63155678 22.10943355 23.87652625 0.07081976 0.07776154 -0.02058033 H 22.27427412 21.06727261 25.61059331 -1.19924881 0.76376268 -0.06221803 H 20.94089539 22.02157902 25.48436747 1.15262902 -0.81983662 0.12425515 H 24.50793820 20.96105497 23.90671069 1.68012122 0.47031743 -2.35854194 H 25.75978669 22.22592512 23.78504734 -0.24631426 -0.71963684 -0.86449746 H 25.38662049 21.05176023 25.37328297 -0.08999947 -0.06774732 -0.13541809 H 23.78320834 22.37108604 25.62792857 0.02960364 0.07819118 0.04388908 H 21.41278655 24.01015649 23.95285976 -0.05690403 -0.07922471 0.08485428 H 22.81214503 25.43679126 24.38217414 0.16113742 -0.15163193 0.43519298 H 22.28220450 24.28278197 25.52641998 -1.90557691 1.92791136 -0.04397751 H 21.13362859 25.32702941 25.61430930 1.89426178 -1.74142041 -0.09843569 H 24.12088615 24.25852836 24.15415664 0.27413025 1.85659857 2.37213623 H 25.40583795 25.18709729 23.89750540 -0.16391328 -0.81526987 0.82350338 H 25.48614350 24.13057629 25.14706388 0.06377783 0.61150065 -0.70503018 H 24.11244973 25.12019753 25.33824685 -0.31002511 -1.63152431 -2.54651898