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=-1.3391838310898911 stress="-0.968838393058956 -0.12918311124817364 0.3832814871843763 -0.12918311124817364 -1.3494911493945685 -0.096373840272757 0.3832814871843763 -0.096373840272757 -0.9610202428594605" pbc="F T T" Ni 0.22094491 0.30205975 0.18190327 -9.43890672 -8.82128021 -4.92690921 Ni 1.32183498 1.62780321 0.06146989 12.84484692 0.55330342 -1.88753858 Ni 1.62990665 -0.10737673 1.78278197 7.32032613 2.67389081 -4.58486850 Ni 0.06210000 1.40098470 1.16236386 -10.72626633 5.59408598 11.39931629