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=42.68812895921448 stress="-115.37303924413428 3.0111026209867378 -12.887402218171793 3.0111026209867378 -113.14097144869064 3.166561462612229 -12.887402218171793 3.166561462612229 -116.87939270811577" pbc="F F F" Ar -0.14801295 -0.02432459 0.06329927 -48.35846578 -33.62311126 -47.62866513 Ar 1.43745442 1.27846858 -0.00548572 30.19688145 42.60778861 -35.27936160 Ar 1.34126820 -0.15859300 1.31668137 46.61876955 -49.21506959 44.45894936 Ar -0.08013605 1.24396547 1.59073906 -28.45718523 40.23039224 38.44907737