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=39.951865962351455 stress="-5.9597420842305695 -0.22329304155576815 0.06431373679089905 -0.22329304155576815 -3.989054951164687 0.38262540408132617 0.06431373679089905 0.38262540408132617 -7.02195780068446" free_energy=39.951865962351455 pbc="T F T" Mo 0.17468695 0.04263272 0.41958977 -13.95840554 -27.62745537 -2.46110279 U 1.50795275 1.24043896 0.23489959 15.67329165 65.79368344 -12.88164009 U 1.47522957 0.04797327 1.69636103 7.84549516 -60.01142056 11.57662953 Mo 0.25900491 1.38008494 1.46362427 -9.56038128 21.84519249 3.76611335