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=-3.7951624326374716 stress="-0.9338867937966767 0.03638873759684608 0.0383422845738612 0.03638873759684608 -1.2105902170716423 0.1309254306263984 0.0383422845738612 0.1309254306263984 -1.185788592601001" free_energy=-3.7951624326374716 pbc="F T T" Ni 0.20288723 0.08343331 -0.20414597 -9.67055402 -3.10752743 8.43566637 Ni 1.44809454 1.72094491 0.23171545 8.05268454 -5.78748696 2.11963875 Ni 1.68190327 -0.17816502 1.71219253 9.86197688 4.42867488 -2.86402916 Ni 0.12990665 1.28220450 1.78278197 -8.24410741 4.46633951 -7.69127596