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=29.710188675029972 stress="-4.128733167753603 -1.084883469924167 -0.6677119968978733 -1.084883469924167 -3.509877827780956 0.23618873038256505 -0.6677119968978733 0.23618873038256505 -2.417987835008184" free_energy=29.710188675029972 pbc="T F F" Mo 0.46569165 0.03273964 0.07675992 -5.73795239 -12.30633797 -23.40552900 Mo 1.55521165 1.79497883 0.29119256 -7.17843921 22.41153314 -27.36615088 U 1.45687039 0.16188986 1.44564997 -17.35886804 -52.63636188 24.24186216 U 2.50332920 1.49214527 1.50795817 30.27525963 42.53116671 26.52981772