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=-3.1122666244730195 stress="-0.9845797854979155 0.07026636228242318 0.018582189730814394 0.07026636228242318 -0.9029147542016642 2.3292780443797926e-05 0.018582189730814394 2.3292780443797926e-05 -0.9086034907126298" pbc="T F F" Ni -0.14801295 0.06329927 0.09073906 5.37261202 -10.75176754 -8.48627600 Ni 1.77219963 1.43381326 0.13132919 -6.12626930 9.37285522 -8.26124630 Ni 1.75978669 0.18365717 1.70288723 -5.00812608 -8.84149608 8.38045312 Ni 0.08343331 1.29585403 1.44809454 5.76178337 10.22040840 8.36706918