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=7.498462026002183 stress="0.08527998592688628 -0.011200871844987031 -0.16012771793745575 -0.011200871844987031 -0.1566642323478424 -0.3268910513661554 -0.16012771793745575 -0.3268910513661554 0.3879105360506291" free_energy=7.498462026002183 pbc="F T F" F 0.26235339 2.84838096 0.21005355 -0.95609493 -6.34988800 3.81101292 F 1.63745972 1.44968690 0.29594673 -3.14461920 -1.69431190 6.02421984 F 1.65710459 2.99042854 1.35687199 1.40571184 1.78569976 -2.72415485 F 0.28499071 1.52201293 1.31634348 2.69500228 6.25850014 -7.11107791