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:forces:R:3 energy=11.806685761832178 stress="-59.52238336565791 -5.621663150110095 54.72846225103228 -5.621663150110095 -15.556498975427669 14.307268005090812 54.72846225103228 14.307268005090812 -70.91227221957665" pbc="F F F" Ne 0.27500470 -0.13833825 -0.09601473 -1.57465832 -2.35485112 -1.99845955 Ne 1.28802619 1.68051743 0.18584377 49.82599773 14.14961720 -57.74636794 Ne 1.60214968 0.15371257 1.53510691 6.59372520 -6.58585680 3.07162259 Ne 0.26959405 1.44667836 1.35402479 -54.84506462 -5.20890927 56.67320491