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=110.0524407758332 stress="-7.098124756831908 0.24955665146149345 -0.14443800437478718 0.24955665146149345 -3.742001492104228 0.21112885254941013 -0.14443800437478718 0.21112885254941013 -3.603346963528984" pbc="T F F" Sr -0.06254558 0.09073906 0.27219963 -5.41761844 -39.74663211 -40.12256404 Sr 1.43381326 1.63132919 0.25978669 4.95749543 36.22796711 -33.94429400 Sr 1.22592512 0.18365717 1.70288723 13.42388181 -36.84707007 38.36129675 Sr 0.08343331 1.29585403 1.44809454 -12.96375880 40.36573507 35.70556130