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=647.6550028801645 pbc="T F T" Kr 0.14904689 -0.21908774 0.10609294 36 -586.29741177 -683.00620834 -548.50539785 Kr 1.46603997 1.30598025 -0.17842402 36 398.56858080 722.92705688 76.19342740 Kr 1.51361598 -0.14801295 1.47567541 36 475.89715568 -619.60538152 190.40471718 Kr 0.06329927 1.43745442 1.27846858 36 -288.16832470 579.68453298 281.90725327