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=13.836177654236565 stress="-0.8672397705979086 -0.7658765891592846 0.033540862915690445 -0.7658765891592846 -0.21632305192200052 0.2813299518190962 0.033540862915690445 0.2813299518190962 -0.2379294371152609" free_energy=13.836177654236565 pbc="T T F" N 2.98844065 0.26851570 0.21813893 -6.82301960 12.05416787 11.74859651 N 1.29440241 1.69410236 0.22586561 8.86671849 -8.33663569 -16.93044717 N 1.79391194 2.72614529 1.52103145 11.21035099 -24.81553564 3.63963532 N 2.55299506 1.68220204 1.39362841 -13.25404988 21.09800346 1.54221535