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=414.45513222777873 pbc="T F F"
Kr      -0.00548572      -0.15873180      -0.15859300       36    -211.27827537    -367.78582625    -186.29725133 
Kr       1.31668137       1.41986395      -0.25603453       36     546.38507790     336.67163679    -892.52800050 
Kr       1.37578640       0.27219963       1.43381326       36     422.56827232    -666.66074108     530.47233610 
Kr       0.13132919       1.75978669       1.22592512       36    -757.67507485     697.77493053     548.35291573