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=1748.1409368597874 stress="-8568.174386577615 -789.4756276655036 7804.246738089224 -789.4756276655036 -2319.5059475669123 2046.1489821080131 7804.246738089224 2046.1489821080131 -10198.801796255299" pbc="F F F" Kr 0.27500470 -0.13833825 -0.09601473 -243.46246217 -364.86074682 -310.58577257 Kr 1.28802619 1.68051743 0.18584377 7134.51644524 2053.27586283 -8272.56302793 Kr 1.60214968 0.15371257 1.53510691 978.17365022 -975.32316852 467.13083642 Kr 0.26959405 1.44667836 1.35402479 -7869.22763329 -713.09194749 8116.01796407