4 Lattice="1.5 0.0 0.0 0.0 1.5 0.0 0.0 0.0 1.5" Properties=species:S:1:pos:R:3:forces:R:3 energy=0.9570320870110679 stress="-1.148853911196458 0.01432051319256863 -0.048181545720192474 0.01432051319256863 -1.2158628879010238 -0.007401648019099778 -0.048181545720192474 -0.007401648019099778 -1.2674005830643456" pbc="T T T" Ar -0.14459490 0.11115480 0.11044915 0.13385613 -0.18374332 0.02504276 Ar 0.95960170 0.56143450 -0.16166483 -0.14453471 0.16223829 -0.03318505 Ar 0.53829595 0.03769167 0.89041416 -0.05578921 -0.09513685 -0.04619380 Ar -0.22187219 0.76878885 0.57834452 0.06646779 0.11664188 0.05433609