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=-0.33131336674730366 stress="0.7003659411460689 -0.05561172141628272 0.10641545874743674 -0.05561172141628272 0.6064244949636456 0.0322455255814052 0.10641545874743674 0.0322455255814052 0.7161394612985543" pbc="F F F" F 0.26147310 -0.13621606 -0.09202303 0.20445126 0.21524049 0.29728797 F 1.69851291 1.60551721 -0.11851108 -0.14148423 -0.19133452 0.12528612 F 1.42909835 0.09070281 1.59908538 -0.31510692 0.18951011 -0.29936844 F -0.25062631 1.34527592 1.58449420 0.25213988 -0.21341609 -0.12320565