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=9930162.626997842 pbc="T T T" Kr -0.18564671 0.11115480 0.11044915 36 -9761332.39368798 -53195694.70941962 -34684886.57535833 Kr 0.66826113 0.42693662 0.06110600 36 7812657.92526445 40069617.61458643 -61822765.26741067 Kr 0.72413972 0.01872586 0.74443895 36 5937857.31857922 -36411306.57426915 61098106.29174960 Kr -0.22187219 0.76878885 0.57834452 36 -3989182.85015567 49537383.66910231 35409545.55101953