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:Z:I:1:forces:R:3 energy=18.9644169253 pbc="T F F" Na 0.00710170 -0.10737673 0.05013808 11 -0.78792514 -5.97985562 -5.55608122 Na 1.39743445 1.63362859 -0.08685450 11 0.96705952 5.18565910 -6.34501156 Na 1.29364079 0.01227909 1.55473499 11 1.17712616 -5.46207543 6.25621716 Na 0.21435895 1.63661615 1.40480033 11 -1.35626055 6.25627195 5.64487561