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=-2.9513862249244056 stress="-0.7703074213306109 -0.009146072085770781 -0.026522158787166773 -0.009146072085770781 -0.5775616602118682 -0.023233103913258953 -0.026522158787166773 -0.023233103913258953 -0.8549488998098731" pbc="T F T" N -0.08338442 0.22586561 0.29391194 3.03308291 -8.06597698 -4.64608161 N 1.22614529 1.52103145 -0.22238644 -2.61708155 2.02793370 -2.91802969 N 1.68220204 0.23573857 1.52724172 -4.17997216 -7.30739793 3.08537354 N -0.22461850 1.20296332 1.34887301 3.76397080 13.34544121 4.47873776