32 Lattice="21.0 0.0 0.0 0.0 21.0 0.0 0.0 0.0 21.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=142.0300160048337 stress="-0.015329358871988679 -0.0021229454908415664 -0.008385167522055443 -0.0021229454908415664 -0.00500324184985669 -0.0003186167771607961 -0.008385167522055443 -0.0003186167771607961 0.0014555016220929012" free_energy=142.0300160048337 pbc="F F F" H 10.42658717 10.44571179 10.39130977 -5.29397611 -3.36090316 -3.63013338 H 11.17299150 10.98924966 10.41156710 -62.64857056 34.90969818 -10.00060762 H 11.19861352 10.63102478 11.30626498 2.46104270 -13.77988658 -4.92302113 H 11.00964674 11.26193751 11.64659409 -20.04680927 -2.83249858 -0.47200680 H 11.96431997 10.54396501 10.33259634 14.08687819 -11.64742939 -5.09301947 H 12.95379337 11.48854596 10.26922180 -10.69791341 -22.63812453 -8.32252043 H 12.78079438 10.52031036 11.69657234 14.24946907 -20.79556746 -11.26661100 H 12.02015752 11.12970777 11.52711528 -15.63422936 8.26474299 -16.35726292 H 10.56890443 11.95090792 10.34006426 64.37951812 28.24645637 -12.03709073 H 10.96824351 13.01866338 10.26429260 -54.34603783 -117.66745843 104.95768907 H 11.47999369 12.21980528 11.54977655 5.69972275 -12.80663808 -5.06610702 H 10.73986385 12.70460942 11.32327937 16.55214259 38.26082883 -94.61489984 H 12.19989723 11.98393070 10.37425859 24.59846492 49.36196104 -11.60725147 H 12.68732118 12.65136973 10.44299131 6.65304141 10.41459308 -4.71298096 H 13.04768454 11.98273691 11.11065667 -48.88216903 51.65150307 104.44474475 H 11.90477107 12.72011124 10.95220318 -5.71482134 10.08590371 -7.05417232 H 10.30257812 10.42144819 11.90610504 3.83463240 5.56147046 -3.88828118 H 11.51235339 11.26339849 12.43585433 -30.37059724 9.82970680 2.07701772 H 11.39078051 10.63851847 13.04550547 -3.16530856 -12.49118485 13.56366054 H 10.70024425 11.18875037 12.86667552 -13.00908934 -12.32153814 11.72546568 H 11.94331655 10.74122900 12.29345185 -22.75684884 -51.89027040 -13.93806323 H 12.56634348 11.17534241 11.98566276 32.60566270 10.96750576 -26.48364457 H 12.56443107 10.54376171 12.47051529 23.22991071 -27.93354178 19.42960540 H 12.09569328 11.16061786 12.51172667 12.36032961 14.58513587 39.67999103 H 10.55332204 11.88436473 12.47869855 -26.23976061 4.01424203 -14.83049515 H 11.24816022 12.76283276 12.31089644 -2.67387955 11.19558848 -0.00053398 H 11.00376233 11.89384330 12.82644833 12.83169808 11.78902511 22.54120024 H 10.40564310 12.99422983 12.40952350 -6.83003770 6.62940777 2.27393079 H 12.25587531 11.78604778 12.35367122 -16.88922035 24.46321192 -3.60430402 H 12.54224623 12.48214964 12.00041025 68.27336200 -40.64981976 -98.78482675 H 12.75346634 11.68374080 12.52936730 43.69614903 7.57822367 23.60357985 H 11.95959443 12.47613864 12.59285970 -0.31275519 13.00565599 12.39094888