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=414.46339898505124 pbc="T F F"
Kr      -0.00548572      -0.15873180      -0.15859300       36    -211.27829502    -367.78585706    -186.29727390 
Kr       1.31668137       1.41986395      -0.25603453       36     546.38511865     336.67165573    -892.52802615 
Kr       1.37578640       0.27219963       1.43381326       36     422.56830034    -666.66075838     530.47236368 
Kr       0.13132919       1.75978669       1.22592512       36    -757.67512397     697.77495971     548.35293637