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=82.39904883373765 stress="-9.482992034088689 -1.12905366839051 -0.24290542906655965 -1.12905366839051 -14.585254216696592 1.0733766004526142 -0.24290542906655965 1.0733766004526142 -9.277019301140056" pbc="F T F" Mo 0.05473499 -0.12063495 0.13661615 -115.70885890 7.10854955 -105.78884477 Mo 1.40480033 1.28303047 0.11041876 85.07672048 10.66410024 -94.97522150 Mo 1.26735611 -0.16466555 1.24148635 118.70608875 14.09107524 108.76790775 Mo 0.08611608 1.53369179 1.52598936 -88.07395033 -31.86372503 91.99615851