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=87.88578723039906 stress="-31.865331500970598 4.736462023466882 -14.871337441393132 4.736462023466882 -6.366829630750862 3.551823608836965 -14.871337441393132 3.551823608836965 -15.92348728830787" free_energy=87.88578723039906 pbc="T T F" U 0.25980354 2.93530244 0.27143892 -414.51200203 128.05287450 -399.90661160 N 1.34925975 1.64189940 0.39742157 9.05937112 -44.91084736 -35.68796113 U 1.61018303 2.67313584 1.24663523 386.72842095 -48.75753667 399.41390994 N 2.81631945 1.72953582 1.51307683 18.72420996 -34.38449047 36.18066280