4
Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=2628.9544022249256 stress="-237.86468867901567 40.12335382878535 -44.8132176185381 40.12335382878535 -478.60800388912645 -298.8833972900057 -44.8132176185381 -298.8833972900057 -459.05067523926033" free_energy=2628.9544022249256 pbc="F F T"
Kr       0.28187239       0.01001192      -0.01546661   -1446.95530747   -1168.39261248     813.87767948
Kr       1.60170120       1.37793365      -0.28095614    2315.26597099    8783.05390664    8758.98862832
Kr       1.55363315       0.24624097       1.64302402    2602.01240240   -9936.62968099   -8157.07545087
Kr       0.26531642       1.41192869       1.51943933   -3470.32306592    2321.96838684   -1415.79085693