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=33.030880216731006 stress="-0.9442559387578018 -0.043391362907060714 0.06195962320817597 -0.043391362907060714 -1.907876634310872 0.004291587618311758 0.06195962320817597 0.004291587618311758 -1.890664380009258" pbc="F T T" Na 0.22094491 0.30205975 0.23042800 -8.49616552 -1.30318429 -1.24595174 Na 1.32183498 1.71219253 -0.02041126 8.20875474 -1.30210242 0.55222393 Na 1.62990665 -0.21779550 1.78278197 10.52657069 1.92554033 -1.38451545 Na 0.06210000 1.54923927 1.32702941 -10.23915991 0.67974637 2.07824326