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=24575.45826250012 stress="-80389.98464523657 -6813.4973901933845 -11480.96870610768 -6813.4973901933845 -108437.12965404666 -19492.49079382656 -11480.96870610768 -19492.49079382656 -113617.71306748322" pbc="F F F" Np 0.18187254 0.02192495 0.13976425 -33291.02775147 -54092.30510663 -57042.45261929 Np 1.65165236 1.45529247 -0.00305439 19617.98284263 39692.82116698 -24555.63552831 Np 1.79366431 -0.02707814 1.39080859 29207.36196721 -24931.40181197 37419.41284930 Np -0.10650087 1.30135236 1.57252260 -15534.31705837 39330.88575161 44178.67529830