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=12.47237576513282 stress="-0.5155454949491892 -0.230887057446484 0.21681766735010374 -0.230887057446484 -0.3970395533506085 0.31655867933112963 0.21681766735010374 0.31655867933112963 -0.03887324162056" free_energy=12.47237576513282 pbc="T T F" N 0.19019325 0.19877714 0.17484702 5.09226338 7.20186762 1.53168992 N 1.63250256 1.60031152 0.05442580 -1.25316538 -1.08549708 -2.07333892 N 1.35431870 -0.21988289 1.63572127 -11.66020687 -1.03873780 0.71171212 N 0.05791531 1.23387496 1.58501927 7.82110887 -5.07763274 -0.17006312