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=-4.516710572745525 stress="-0.6728725636423076 -0.12833505948725174 -0.114387294286691 -0.12833505948725174 -0.5423899316117802 -0.11511523963328246 -0.114387294286691 -0.11511523963328246 -0.6415117632243322" free_energy=-4.516710572745525 pbc="T T T" N 2.60704314 0.26531642 0.20947124 -2.09251649 -2.22848590 -2.98470680 N 1.35512851 1.55280714 2.91333883 -1.36612913 0.02633992 -2.64993744 N 1.34655491 2.57486980 1.32230844 -0.02469286 -2.06769003 1.49327384 N 2.91049160 1.22286420 1.43858073 3.48333849 4.26983601 4.14137041