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=61.1382341537217 stress="-4.729983970477433 0.4357945100702133 -0.28561843518942165 0.4357945100702133 -4.843145636044926 -0.5515993274838878 -0.28561843518942165 -0.5515993274838878 -5.434005440120334" free_energy=61.1382341537217 pbc="T T T" Ar -0.14459490 0.11115480 0.11044915 15.85921451 -33.45367646 -10.33121495 Ar 1.70960170 1.31143450 -0.16166483 -25.20564009 26.71401520 4.77807508 Ar 1.28829595 0.03769167 1.64041416 -4.35338577 -20.40129781 -7.78379961 Ar -0.22187219 1.22744829 1.32834452 13.69981135 27.14095907 13.33693948