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=34.074227700797465 stress="-1.872990678269547 0.014554338264797892 -0.015779884049447208 0.014554338264797892 -1.0124811878476712 -0.002890147158910047 -0.015779884049447208 -0.002890147158910047 -1.895211466245954" pbc="T F T" Na 0.03848316 0.19178619 0.17895518 2.00990212 -10.00993186 -2.96576029 Na 1.79140871 1.61455359 0.09583508 -2.84059277 11.21739394 -2.52213847 Na 1.64904689 0.10609294 1.40349439 -2.22959084 -10.48260446 2.08453885 Na -0.19401975 1.32157598 1.29208456 3.06028149 9.27514239 3.40335990