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=33.475743599192526 stress="-0.9443691074983449 -0.04342686770244942 0.061970278043628216 -0.04342686770244942 -1.9242639644195256 0.004305259745405171 0.061970278043628216 0.004305259745405171 -1.9071115772620024" pbc="F T T" Na 0.22094491 0.30205975 0.23042800 -8.49713594 -1.30340698 -1.24569559 Na 1.32183498 1.71219253 -0.02041126 8.20957001 -1.30198984 0.55183541 Na 1.62990665 -0.21779550 1.78278197 10.52796288 1.92608388 -1.38441272 Na 0.06210000 1.54923927 1.32702941 -10.24039694 0.67931293 2.07827290