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=10.15727590334703 stress="-25.780276679595268 1.6802182356752047 -2.7329067965597496 1.6802182356752047 -19.38976767970505 0.441866208382411 -2.7329067965597496 0.441866208382411 -25.42736785382946" pbc="F F F" S 0.04852473 0.05473499 -0.08438932 -9.55844654 -5.82699339 -11.02306251 S 1.63661615 1.40480033 -0.12280496 5.44982795 7.80166360 -6.16799719 S 1.29869006 0.11041876 1.26735611 12.30143179 -9.90255109 11.06581131 S -0.16466555 1.24148635 1.58611608 -8.19281320 7.92788088 6.12524840