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=41.863766747675335 stress="-5.90525022743634 -0.5737189128060617 -0.4691823524468367 -0.5737189128060617 -5.860545911358306 0.10195099027148179 -0.4691823524468367 0.10195099027148179 -5.804526039727807" free_energy=41.863766747675335 pbc="T T T" W 2.85540510 0.11115480 0.11044915 2.31932346 9.69123451 6.46800711 W 1.70960170 1.31143450 2.83833517 7.83928697 -8.06678196 -6.05361846 W 1.28829595 2.83509776 1.64041416 -12.54462561 -6.05170578 6.53552671 W 2.77812781 1.51878885 1.32834452 2.38601517 4.42725323 -6.94991536