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=5.473962203530151 pbc="F F T" Ne 0.11764319 0.26439814 0.04524568 10 -18.45233666 -42.64590473 -54.94582819 Ne 0.64205081 0.70762985 0.16050785 10 29.27395381 20.02817030 -2.99568577 Ne 0.59744252 -0.04057481 0.70270812 10 3.40276816 -4.08593782 1.69322107 Ne 0.08299048 0.56811968 0.63009595 10 -14.22438531 26.70367225 56.24829289