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=35.61083651292409 stress="-5.209804322547916 -0.5188067592835444 -0.15638999342840476 -0.5188067592835444 -4.857884910587672 0.29049120481182916 -0.15638999342840476 0.29049120481182916 -4.763016843204351" free_energy=35.61083651292409 pbc="T T T" W 2.85540510 0.11115480 0.11044915 10.60669725 5.87315189 4.96272496 W 1.70960170 1.31143450 2.71512922 -0.35487647 -3.78642244 -2.36412261 W 1.28829595 2.83509776 1.64041416 -14.11047810 -7.37199389 4.05692583 W 2.77812781 1.51878885 1.32834452 3.85865732 5.28526444 -6.65552818