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=-44.039279389250126 stress="-0.00416697937833828 0.00025724214047482863 -0.00017602227809058047 0.00025724214047482863 -0.004573593528287834 -0.0008942816610483857 -0.00017602227809058047 -0.0008942816610483857 -0.004457508454337649" free_energy=-44.039279389250126 pbc="F F F" N 20.88909689 21.13714415 21.07420351 -2.81630045 -19.21419418 -20.86737967 N 22.70960170 22.21726994 21.13708343 -13.32257178 9.14264802 -8.53263914 N 22.28829595 20.89345311 22.64041416 1.75399687 -15.01612720 -12.54692031 N 20.97882984 22.22221844 22.22919618 -3.59326812 20.64794351 16.91334484 N 23.87679405 20.95894820 21.20052938 14.28774289 -11.70168831 -2.30244776 N 25.57505321 22.20865944 20.85003550 -1.03026956 -4.15147197 0.46677493 N 25.38972740 21.22277084 22.68584377 -4.59736695 -24.38296630 -31.81649157 N 24.18362810 22.69581920 22.64685009 0.64305635 -24.10619759 -18.24350502 N 21.14752770 23.89530619 20.85485080 0.83891579 1.62390671 0.73321107 N 22.70996341 25.49207130 21.15300231 -4.47157550 6.26698077 -22.99932277 N 22.53848316 23.95774659 22.41852158 -17.73863209 -11.90647256 -3.65124695 N 21.20413434 25.53128084 22.12540496 -11.49085076 -0.58807046 2.78149688 N 24.19178619 24.17895518 21.29140871 -7.51681697 -3.39921391 -38.29297276 N 25.72498218 25.53253581 21.35851813 0.56155729 -1.27687016 0.21805656 N 25.28091226 24.10609294 22.46603997 34.12618322 7.25655901 10.11406921 N 23.66110875 25.32157598 22.51361598 14.44869408 25.15639151 20.98750154 N 20.90479419 20.88901425 23.90985417 -6.88292126 -3.71542960 4.24925057 N 22.30986677 22.10077702 23.99451428 3.25089313 12.82065308 -0.13099007 N 22.25175979 20.99629482 25.37656677 9.88574027 -21.03454315 12.90357639 N 21.08417477 22.24396547 25.40499636 -18.34559977 8.85924225 5.78927974 N 24.26064027 20.93381326 24.13132919 4.75546729 -10.91326967 4.19207718 N 25.75978669 22.22592512 23.78504734 14.36054322 17.43540205 30.55235075 N 25.71643430 21.10260697 25.45709467 -2.39451640 1.77009243 -3.44833664 N 23.75683077 22.23028762 25.48810560 -0.67376851 0.21007373 8.82881242 N 21.23171545 24.37600563 23.82183498 -26.41480438 -10.12508980 -4.45692438 N 22.54315750 25.42485375 24.12990665 15.91663237 23.88730610 2.92554663 N 22.28220450 24.28278197 25.56210000 16.66699266 -23.81995842 10.40536155 N 21.13362859 25.32702941 25.45235627 -23.55227726 21.02657134 0.09639807 N 23.98153066 23.77475981 23.91561068 -0.10025978 15.14064611 23.25992068 N 25.41358041 25.32141592 23.84231696 4.82187096 13.34556737 -3.97252100 N 25.29869006 24.33628438 25.26735611 10.93594098 -10.33685798 9.27755760 N 23.83533445 25.24148635 25.58611608 -2.31242781 11.09843728 6.56711144