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=85.2700276090543 stress="-226.59487312391045 66.78652899264836 5.749529981326162 66.78652899264836 -195.51234031580265 11.475099145887526 5.749529981326162 11.475099145887526 -164.92748570211208" pbc="F F F" Mo 0.23171545 0.18190327 -0.17816502 -45.99508044 -41.61589244 -54.65060108 Mo 1.71219253 1.42485375 0.12990665 59.13728933 59.26145536 -48.53912952 Mo 1.28220450 0.28278197 1.56210000 119.93494929 -136.04024894 66.37183915 Mo 0.13362859 1.32702941 1.57034430 -133.07715818 118.39468602 36.81789145