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=17.419617132686803 stress="-2.5952243467322442 0.0787960800847529 -0.1014627392541714 0.0787960800847529 -5.036690058626132 0.12505381566461754 -0.1014627392541714 0.12505381566461754 -3.4332774019804626" pbc="F T F" Mo 0.23573857 0.07120672 0.22083292 -35.66852458 -9.41328039 -30.26093631 Mo 1.28984966 1.25657611 0.18107110 29.49523389 12.72862535 -32.74226356 Mo 1.32825321 0.13102478 1.59995250 36.38323879 -14.48901524 33.40892605 Mo 0.26120756 1.51193751 1.75226748 -30.20994810 11.17367028 29.59427383