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=3.4683982967642866 stress="-11.086871930568455 -1.1484120984050683 1.2046388889627582 -1.1484120984050683 -9.876862708615432 0.43921539145561894 1.2046388889627582 0.43921539145561894 -10.26798880729745" pbc="F F F" S -0.17769156 -0.08950840 -0.27713580 -3.20770505 -3.20741087 -2.48349738 S 1.43858073 1.25205420 0.15488783 5.23078196 4.22109051 -3.90748912 S 1.55988540 -0.29754255 1.66431082 1.49872467 -3.25509241 2.95732076 S -0.18574270 1.48844065 1.53277713 -3.52180158 2.24141277 3.43366574