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=99.05666112615619 stress="-11.098912900979554 0.5897099136927378 0.07842356463185153 0.5897099136927378 -9.31004938213848 -0.09065844091864506 0.07842356463185153 -0.09065844091864506 -8.701963063979004" free_energy=99.05666112615619 pbc="T F F"
Mo      -0.14801295       0.06329927       0.09073906      55.78244519    -113.09644331     -83.20349634
Mo       1.77219963       1.43381326       0.13132919     -66.68631202      97.58492721     -77.09796869
Mo       1.75978669       0.18365717       1.70288723     -55.77496649     -88.57337718      80.44323333
Mo       0.08343331       1.29585403       1.44809454      66.67883332     104.08489329      79.85823170