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=32.16878156471696 stress="-3.565889368177525 -0.12029951527672739 -1.235303232305354 -0.12029951527672739 -5.302253988748539 -0.0286502241746402 -1.235303232305354 -0.0286502241746402 -2.5110110566867956" free_energy=32.16878156471696 pbc="F T F" U 0.12749873 2.94012721 0.11781300 -46.77704100 -3.53303346 -40.83691193 Mo 1.66162860 1.53840009 0.25219415 20.73622702 3.22759969 -19.74093271 U 1.62370952 0.34913054 1.28416794 44.93844341 -1.29537317 40.57287749 Mo 0.27410067 1.63915750 1.27391271 -18.89762943 1.60080695 20.00496715