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=-2.945157830841847 stress="-0.7976241703312348 -0.003774554777751704 -0.026266941351390825 -0.003774554777751704 -0.5833445451859636 -0.017040945452137173 -0.026266941351390825 -0.017040945452137173 -0.8835762740519607" free_energy=-2.945157830841847 pbc="T F T" N 2.91661558 0.22586561 0.29391194 3.05357524 -8.13799162 -4.51958186 N 1.22614529 1.52103145 2.77761356 -2.67045431 2.10531904 -2.99080352 N 1.68220204 0.23573857 1.52724172 -4.06827963 -7.37063032 3.10650472 N 2.77538150 1.20296332 1.34887301 3.68515871 13.40330290 4.40388066