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=119.06829354599883 stress="-10.581908221550567 -1.9841111627861732 -0.9072484657181027 -1.9841111627861732 -13.448024827750622 1.1225078063376215 -0.9072484657181027 1.1225078063376215 -9.583284855116755" pbc="F T F" Mo 0.04852473 0.01848935 0.13661615 -136.39158894 -12.10870795 -114.65243681 Mo 1.40480033 1.28303047 0.11041876 88.73154831 31.27444996 -95.00806308 Mo 1.26735611 -0.16466555 1.24148635 138.47776850 10.05273597 123.15143594 Mo 0.08611608 1.53369179 1.52598936 -90.81772788 -29.21847799 86.50906395