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=-5.460244012641841 stress="-0.2285992511627491 0.005417830542065892 0.13801464143969489 0.005417830542065892 -0.285294885159153 0.04197746091237778 0.13801464143969489 0.04197746091237778 -0.31026046416023295" pbc="F T F" N 0.19989723 0.12961200 0.15720406 -0.58024499 0.53312040 -0.25596903 N 1.26564846 1.38507600 0.50980185 3.76773454 0.26226586 -6.70628956 N 1.48273691 0.15660339 1.67089611 2.68655720 -0.23620894 1.77959166 N 0.41945798 1.34838096 1.71005355 -5.87404675 -0.55917732 5.18266692