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=0.3551870538349537 stress="-0.2979080384501211 -0.04062059742513509 0.0649447752917705 -0.04062059742513509 -0.507173634460169 0.03341059466576596 0.0649447752917705 0.03341059466576596 -0.27587238618245313" pbc="F T F" Ar 0.12990665 -0.21779550 0.28278197 -0.08629660 0.19089563 -0.24342377 Ar 0.81210000 0.88362859 -0.17297059 0.15310604 -0.03856625 -0.19197446 Ar 0.82034430 0.04852473 0.80473499 0.19800648 0.03789697 0.17609936 Ar -0.08438932 0.88661615 0.65480033 -0.26481593 -0.19022635 0.25929887