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=-5.052672427124844 stress="-0.38480002831029075 -0.03783523475297663 0.07951093847198554 -0.03783523475297663 -0.5410711777005873 0.07582156415327222 0.07951093847198554 0.07582156415327222 -0.38476725212524143" free_energy=-5.052672427124844 pbc="T T F" N 0.16431082 2.81425730 0.03277713 1.69633207 -1.29013322 -2.30341245 N 1.39971974 1.15062563 0.21813893 0.10872445 3.49131893 -6.76868919 N 1.26716069 0.19410236 1.33096497 -0.21542859 -0.73000522 7.86497281 N 2.88201197 1.43300593 1.22002482 -1.58962793 -1.47118049 1.20712883