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=61.48035944904698 stress="-7.377997366626021 0.9234678734058116 1.3896336245825311 0.9234678734058116 -5.812419970086103 0.779897892316887 1.3896336245825311 0.779897892316887 -6.519592477569883" pbc="T F F" Mo -0.27407488 0.18365717 0.20288723 86.11048044 -61.77068604 -83.60980347 Mo 1.58343331 1.29585403 0.22094491 -47.24105028 93.75495741 -63.65833536 Mo 1.73171545 0.18190327 1.32183498 -61.02601899 -74.30717456 107.03994663 Mo -0.00560297 1.42485375 1.62990665 22.15658883 42.32290319 40.22819220