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=-3.113622913972385 stress="-55.47616285951998 -0.599224464020975 -6.51925419913432 -0.599224464020975 -57.38387291116043 -4.724776793845702 -6.51925419913432 -4.724776793845702 -54.20091824169333" pbc="F F F" W 0.07327937 0.19989723 0.12961200 -23.70223681 -26.39968214 -22.77155497 W 1.37425859 1.65720406 -0.23435154 14.99988484 17.88902181 -13.73417984 W 1.38507600 0.29768454 1.48273691 24.80416049 -13.68682564 21.08939708 W -0.13934333 1.67089611 1.47011124 -16.10180853 22.19748597 15.41633773