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=9.20731266247881 stress="-1.6785461538610877 1.2430283814997238 0.029227452262226627 1.2430283814997238 0.2579083153888979 0.10773586630789118 0.029227452262226627 0.10773586630789118 0.8604748248814565" free_energy=9.20731266247881 pbc="T F F" N 0.07236142 0.20379337 0.23854596 26.29867487 18.61989315 33.30812829 N 1.26922180 1.01354808 0.02031036 -19.87061486 -13.77891189 -11.03954223 N 1.68745344 0.02015752 1.37970777 10.89355606 -7.91030209 -24.07128576 N 0.27711528 1.09695469 1.25213077 -17.32161607 3.06932083 1.80269970