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=-3.7573158948342873 stress="0.32659519477072746 -0.025798592217861203 -0.016772382564446152 -0.025798592217861203 0.041311636780822544 -0.08134581964388012 -0.016772382564446152 -0.08134581964388012 0.16163051452025165" free_energy=-3.7573158948342873 pbc="T F T" N 2.76716069 0.19410236 2.83096497 0.92780664 1.55229891 -2.28320959 N 1.38201197 1.43300593 2.61365323 -0.34594645 0.96476629 -0.61632123 N 1.27696427 0.22586561 1.79391194 -1.46486534 -0.79472476 0.68529597 N 2.72614529 1.52103145 1.51335213 0.88300515 -1.72234044 2.21423485