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=-8.64031902237167 stress="13.5801020530754 0.9933658110446537 -0.8497728217702951 0.9933658110446537 13.919095444598023 0.9749137884715884 -0.8497728217702951 0.9749137884715884 13.613126550347483" pbc="F F F" B -0.00003326 0.28737279 -0.15986018 4.37810588 5.86209143 5.85814266 B 1.22655653 1.77525869 -0.02585829 -5.53729688 -5.63230477 3.51165854 B 1.47496338 -0.04390392 1.36631561 -3.67642849 3.32902001 -3.47297455 B -0.28239431 1.53386976 1.32964024 4.83561948 -3.55880667 -5.89682665