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=112.290405701 stress="-32.022250969624295 0.9725046094878812 1.7830588105249938 0.9725046094878812 -35.39244654295172 1.2543477295247252 1.7830588105249938 1.2543477295247252 -33.34212158241309" pbc="F F F" K -0.04125212 0.04052745 -0.26582914 -51.55567615 -37.48156049 -52.38986102 K 1.44170993 1.68168807 0.14109445 55.35633720 72.90356524 -61.64299737 K 1.53839703 -0.04623943 1.22340307 59.75580784 -75.74133615 44.98146700 K 0.11951579 1.46781377 1.63443557 -63.55646890 40.31933140 69.05139138