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=10.624578406945643 stress="-12.296315098624243 -0.4646933234637407 0.656654689382214 -0.4646933234637407 -8.4490935635304 -0.1216513103519139 0.656654689382214 -0.1216513103519139 -12.470878269012205" pbc="F F F" Na 0.27219963 -0.06618674 0.13132919 -4.09146124 -4.15255192 -3.34381892 Na 1.75978669 1.22592512 -0.21495266 3.41516729 3.51474421 -4.02918319 Na 1.68365717 0.20288723 1.58343331 3.99305728 -2.36252272 4.68756674 Na -0.20414597 1.44809454 1.72094491 -3.31676333 3.00033043 2.68543538