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=40.75620728879207 stress="-7.526783722800016 0.1692948867641507 0.04923371382843376 0.1692948867641507 -6.13277766909901 0.24484531502572784 0.04923371382843376 0.24484531502572784 -3.5452487979282212" free_energy=40.75620728879207 pbc="T T F" Mo 0.38416046 0.20224192 0.24849743 -0.01864062 -3.80788491 -19.59129416 U 1.75911890 1.69019325 0.19877714 1.48424457 8.63440994 -62.45804411 Mo 1.34268809 0.13250256 1.60031152 0.80086528 -3.75515763 24.89918713 U 0.05442580 1.43933797 1.28011711 -2.26646924 -1.07136740 57.15015115