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:Z:I:1:forces:R:3 energy=420.7608176908321 pbc="F T F" Kr 0.06210000 0.13362859 -0.17297059 36 -444.80344350 -180.96161269 -419.09498579 Kr 1.57034430 1.54852473 0.05473499 36 399.25273590 329.76889986 -573.30796188 Kr 1.41561068 0.13661615 1.40480033 36 676.27305863 -608.55760607 702.85375199 Kr -0.12280496 1.29869006 1.61041876 36 -630.72235103 459.75031890 289.54919568