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=99.08757330171086 stress="-11.10020901420453 0.5896532027759812 0.07836332553804778 0.5896532027759812 -9.310064797653318 -0.0906596238260283 0.07836332553804778 -0.0906596238260283 -8.701983578334199" free_energy=99.08757330171086 pbc="T F F"
Mo      -0.14801295       0.06329927       0.09073906      55.78033949    -113.09671946     -83.20379062
Mo       1.77219963       1.43381326       0.13132919     -66.68516389      97.58518049     -77.09802991
Mo       1.75978669       0.18365717       1.70288723     -55.77386723     -88.57341397      80.44352315
Mo       0.08343331       1.29585403       1.44809454      66.67869164     104.08495293      79.85829738