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=13.762216898567443 stress="-13.964707654756452 0.15085787717686483 -0.12659499070969904 0.15085787717686483 -12.567573204310927 0.07643105237797787 -0.12659499070969904 0.07643105237797787 -12.485030991426223" pbc="F F F" Na 0.26959405 0.17626233 -0.14597521 -3.85442701 -4.35491162 -5.81231789 Na 1.70996341 1.49207130 0.15300231 5.26994060 4.96083886 -3.17644424 Na 1.53848316 -0.04225341 1.41852158 3.75355462 -4.73567912 4.74737423 Na -0.04210664 1.38825682 1.27041603 -5.16906821 4.12975188 4.24138790