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=-5.253528066781343 stress="-0.441085044664208 -0.08332593057343866 0.061143496133343855 -0.08332593057343866 -0.4561505521277044 -0.12981729201650485 0.061143496133343855 -0.12981729201650485 -0.35688801375159185" free_energy=-5.253528066781343 pbc="F T T" N 0.18745344 0.02015752 2.83431720 -3.74773543 5.76051922 -0.72310930 N 1.77711528 1.37871118 2.75213077 2.31092718 -0.51332203 -0.46799490 N 1.23125112 2.59250211 1.63616082 7.55169308 2.50794247 -0.76083236 N 0.12968218 1.71980528 1.79977655 -6.11488482 -7.75513966 1.95193656