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=48.40257266634502 stress="-5.589273668268868 -0.41318641849482957 0.07491701109361876 -0.41318641849482957 -7.5400254594285 -0.3227509425568608 0.07491701109361876 -0.3227509425568608 -7.176470610703994" pbc="F T T" Mo 0.28278197 0.06210000 0.13362859 -67.11153690 -55.42854844 -40.31033553 Mo 1.32702941 1.31183065 0.04852473 67.71911820 45.65729483 -33.44367501 Mo 1.55473499 0.00172677 1.35991264 55.45194822 -24.12025477 31.58116612 Mo 0.11041876 1.26735611 1.33533445 -56.05952952 33.89150838 42.17284442