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=-5.270813498201478 stress="-0.3431636758676649 0.06246634698181892 0.01844224481020591 0.06246634698181892 -0.3332965727743224 -0.028713168436321625 0.01844224481020591 -0.028713168436321625 -0.29171985904434056" pbc="T T T" N 0.11042859 0.20947124 -0.14487149 1.04517027 -0.25597474 -0.92226618 N 1.55280714 1.41333883 -0.15344509 1.00878540 0.78778192 -1.69736484 N 1.37241235 -0.17769156 1.41049160 -1.25203875 -1.16315023 0.48029308 N -0.27713580 1.14103818 1.25205420 -0.80191692 0.63134305 2.13933794