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=-0.6058052352324065 stress="1.2046970647441464 0.020726018157705556 -0.10277011351059323 0.020726018157705556 1.1598536933635266 -0.13518338498852028 -0.10277011351059323 -0.13518338498852028 1.2546740495282085" pbc="F F F" F -0.24281880 0.22011399 -0.20949617 0.38501868 0.36088649 0.30107024 F 1.37506816 1.34871408 0.00733485 -0.54155197 -0.50741911 0.61506447 F 1.47738780 0.06240972 1.33193190 -0.23425189 0.50486609 -0.46925508 F -0.05234470 1.63656244 1.27796512 0.39078518 -0.35833348 -0.44687963