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=2334.609619084413 pbc="F T T" Kr 0.18365717 0.20288723 0.36621528 36 -4539.94050234 -4810.48429466 -2040.06398642 Kr 1.29585403 1.44809454 0.22094491 36 4064.86329394 5154.49794918 -3390.05015793 Kr 1.73171545 0.18190327 1.32183498 36 2548.71395511 -2248.22364864 2643.65285309 Kr 0.21219253 1.42485375 1.62990665 36 -2073.63674672 1904.20999412 2786.46129126