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=-5.86749447226934 stress="-0.15551608080455734 -0.05567411336145577 -0.05665475001059426 -0.05567411336145577 -0.03715579971333853 -0.07936696791448176 -0.05665475001059426 -0.07936696791448176 -0.16573975051623951" free_energy=-5.86749447226934 pbc="F T F" N 0.15720406 2.76564846 0.29768454 -2.57163568 -0.80492779 -2.17621317 N 1.43242381 1.36065667 0.17089611 0.36699033 -1.54035911 -1.64581721 N 1.47011124 2.70220318 1.21755886 3.12199156 2.77120134 2.29812471 N 0.55830011 1.34838096 1.71005355 -0.91734621 -0.42591444 1.52390566