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=2334.663620964678 pbc="F T T" Kr 0.18365717 0.20288723 0.36621528 36 -4539.94078486 -4810.48436502 -2040.06401749 Kr 1.29585403 1.44809454 0.22094491 36 4064.86345971 5154.49799134 -3390.05039952 Kr 1.73171545 0.18190327 1.32183498 36 2548.71431557 -2248.22369349 2643.65298217 Kr 0.21219253 1.42485375 1.62990665 36 -2073.63699043 1904.21006717 2786.46143484