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=43.47650751458649 stress="-4.410775349372916 0.09833209640008538 -0.10252888668550203 0.09833209640008538 -4.829801589805982 0.1348640864568995 -0.10252888668550203 0.1348640864568995 -4.505704102926298" free_energy=43.47650751458649 pbc="T T T" As 2.85540510 0.11115480 0.31304306 5.13364991 -2.51862999 -4.59884359 As 1.70960170 1.31143450 2.54699460 -8.05229517 -1.46505321 8.25760270 As 1.28829595 2.70059987 1.64041416 -5.18799833 4.49513039 -1.64629003 As 2.77812781 1.51878885 1.32834452 8.10664359 -0.51144719 -2.01246908