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=38.34201632915386 stress="-171.03360328605496 -42.464213459300346 31.789903788649156 -42.464213459300346 -281.82805338801927 -161.71958009666554 31.789903788649156 -161.71958009666554 -251.80809931843837" pbc="T T F" user01 0.18362810 0.19581920 0.14685009 145.31706618 -363.00329653 -388.05085980 user01 0.97748741 0.81451915 0.04581097 -76.09928895 39.31402778 -78.07460303 user01 0.99249922 0.14111819 0.68391457 -218.92874040 -205.78364958 49.05793934 user01 0.03848316 0.70774659 0.66852158 149.71096317 529.47291832 417.06752348