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=99.22848684504554 stress="-13.99724015542058 0.26826907647002884 0.16345017420304125 0.26826907647002884 -10.753959509344432 -0.42432910616565567 0.16345017420304125 -0.42432910616565567 -16.79798591393938" pbc="T F T" Mo 0.03848316 0.19178619 0.17895518 53.09667018 -108.61505701 -50.03416259 Mo 1.79140871 1.61455359 0.03253581 -77.75319454 103.96101797 -13.60528679 Mo 1.64904689 0.10609294 1.46603997 -62.13559028 -112.86580619 33.80150487 Mo -0.19401975 1.32157598 1.51361598 86.79211464 117.51984523 29.83794451