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=0.04745906787728733 stress="-2.088257506054152 -0.1759070775560951 0.047054192391404855 -0.1759070775560951 -2.1764724213954936 0.5903836308978978 0.047054192391404855 0.5903836308978978 -1.8767191446352813" pbc="T T F" Ni 0.20996341 -0.00792870 0.15300231 -3.80621725 4.50352171 -18.03142269 Ni 1.53848316 1.45774659 0.19178619 4.09460081 6.40497669 -22.74144634 Ni 1.67895518 0.29140871 1.61455359 -3.30893354 -11.64413283 16.68046866 Ni 0.03253581 1.61508687 1.28091226 3.02054998 0.73563443 24.09240038