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=647.601160141039 pbc="T F T" Kr 0.14904689 -0.21908774 0.10609294 36 -586.29738837 -683.00587685 -548.50543633 Kr 1.46603997 1.30598025 -0.17842402 36 398.56858189 722.92679104 76.19344509 Kr 1.51361598 -0.14801295 1.47567541 36 475.89711088 -619.60510378 190.40477197 Kr 0.06329927 1.43745442 1.27846858 36 -288.16830439 579.68418959 281.90721927