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=48.07300481319359 stress="-3.9485515216453417 -0.09721322401659967 0.09366805950827904 -0.09721322401659967 -3.014301956808686 -0.2124635602360609 0.09366805950827904 -0.2124635602360609 -4.555027331464201" pbc="T F T" Ar 0.03848316 0.19178619 0.17895518 13.99181150 -29.73470345 -14.97257567 Ar 1.79140871 1.61455359 0.03253581 -20.07093193 27.59841100 -3.68548155 Ar 1.64904689 0.10609294 1.46603997 -20.00266212 -32.66723643 8.30911097 Ar -0.19401975 1.32157598 1.51361598 26.08178255 34.80352888 10.34894626