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=10665.100790473654 stress="-53427.76282015903 44176.106054617 -4434.322198443828 44176.106054617 -69631.26586532313 5223.633176650139 -4434.322198443828 5223.633176650139 -8077.582026355315" pbc="F F F" Mc 0.18255526 -0.03283057 -0.13875647 -5583.39772384 -6580.06274751 -2233.31190484 Mc 1.38498475 1.40172726 0.02265347 6609.58300736 6750.29673035 -1977.78417389 Mc 1.20349427 0.08715875 1.78667983 43427.59744538 -49965.96126988 6612.26012841 Mc 0.15683693 1.29143880 1.66648029 -44453.78272891 49795.72728705 -2401.16404968