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=22.412605827912802 stress="-2.286157000648698 0.008518029368908171 -0.4382020888063387 0.008518029368908171 -2.4267235825595463 0.00021709729531620096 -0.4382020888063387 0.00021709729531620096 -3.0095569465127587" pbc="F F T" Ar 0.12263099 0.04530481 -0.04793993 -27.61729232 -28.32549061 -11.70016834 Ne 1.62593290 1.34000708 -0.10098809 18.59844283 12.39521912 -4.51527335 Ne 1.41812645 0.23212867 1.25294705 26.83640419 -15.94076663 14.28891833 Ar 0.17871475 1.69104769 1.42134613 -17.81755470 31.87103812 1.92652337