4 Lattice="1.5 0.0 0.0 0.0 1.5 0.0 0.0 0.0 1.5" Properties=species:S:1:pos:R:3:forces:R:3 energy=38.02228018847295 stress="-172.13177607041098 -42.135103326379145 32.07690264644887 -42.135103326379145 -283.0498263509442 -161.5183939489989 32.07690264644887 -161.5183939489989 -252.11416242762755" pbc="T T F" user01 0.18362810 0.19581920 0.14685009 145.49428766 -361.92631066 -388.21385223 user01 0.97748741 0.81451915 0.04581097 -75.78519828 38.73124349 -78.42936171 user01 0.99249922 0.14111819 0.68391457 -218.86116909 -205.93042382 49.06590504 user01 0.03848316 0.70774659 0.66852158 149.15207971 529.12549100 417.57730890