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=647.6109289270398 pbc="T F T" Kr 0.14904689 -0.21908774 0.10609294 36 -586.29739637 -683.00590480 -548.50545252 Kr 1.46603997 1.30598025 -0.17842402 36 398.56858822 722.92681567 76.19345211 Kr 1.51361598 -0.14801295 1.47567541 36 475.89711489 -619.60512862 190.40476583 Kr 0.06329927 1.43745442 1.27846858 36 -288.16830674 579.68421775 281.90723458