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=990.9691757284377 stress="-6210.707390607242 -112.2403259729349 -3137.1081159910095 -112.2403259729349 -2547.6867594415608 -313.792460871613 -3137.1081159910095 -313.792460871613 -4366.812123058868" pbc="F F F" Mc 0.02632905 -0.21788783 0.13380418 -3434.27324141 -992.34527828 -2888.70293510 Mc 1.30624087 1.66477742 -0.03887516 500.34218440 819.89649835 -499.06118558 Mc 1.62889518 -0.25423299 1.29474732 3389.97052151 -464.75808406 2519.65441700 Mc -0.27553420 1.33138049 1.69519564 -456.03946450 637.20686398 868.10970368