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=9159.864087450756 stress="-1203.8393825305557 -67.5369867529872 57.51502894199917 -67.5369867529872 -1418.0677580667736 -287.2569493391598 57.51502894199917 -287.2569493391598 -1770.9222265083363" pbc="F T T" Db 0.00179961 0.29533558 -0.03185223 -11441.68832916 -14407.55642380 -10732.82997105 Db 1.31765073 1.57603796 -0.07536414 14073.07113744 7289.52008393 -10293.04379797 Db 1.54140990 0.09996228 1.12693410 11533.93207202 -7589.58406912 5020.05271337 Db 0.26809539 1.34532608 1.33686507 -14165.31488030 14707.62040899 16005.82105565