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=4.477344630887781 stress="-2.0301237031242794 -0.375165279740519 -0.6075403293165652 -0.375165279740519 -2.0340071700257947 -0.21651754098065903 -0.6075403293165652 -0.21651754098065903 -2.6692477344966705" free_energy=4.477344630887781 pbc="F T T" Ni 0.27143892 -0.09704662 0.10338854 -24.81473967 10.09907341 -7.29243661 Ni 1.74759167 1.61018303 -0.07481803 13.73239884 -4.54546258 3.44067055 Ni 1.24663523 -0.01297511 1.44857885 33.51162462 15.47741415 11.00388762 Ni 0.18843096 1.67061300 1.79169807 -22.42928378 -21.03102498 -7.15212156