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=15.002261671363181 stress="1.1295403692316504 0.11530647645771541 0.0456363422256614 0.11530647645771541 0.15394980462790608 0.30883524953661173 0.0456363422256614 0.30883524953661173 1.2430046222560494" free_energy=15.002261671363181 pbc="T F T" N 2.78011711 0.13572127 0.05791531 -5.12773680 -0.52781135 -2.31158957 N 1.23387496 1.58501927 0.06603388 -8.68309919 -4.17056982 -1.97098080 N 1.50693356 0.20815719 1.72580078 8.08998162 3.65330211 8.19445408 N 2.92866320 1.68883157 1.49955875 5.72085437 1.04507906 -3.91188370