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=-6.570632939729917 stress="-0.5836755184924394 0.055953914513224526 0.0283538020703673 0.055953914513224526 -0.6070348339308298 0.003121281527392957 0.0283538020703673 0.003121281527392957 -0.6086778264951649" pbc="T F F" Ni -0.14801295 0.06329927 0.09073906 4.02841026 -7.17453391 -5.60906094 Ni 1.77219963 1.43381326 0.13132919 -4.27481099 6.29784740 -5.61618675 Ni 1.75978669 0.18365717 1.70288723 -3.63625389 -6.00441220 5.59518266 Ni 0.08343331 1.29585403 1.44809454 3.88265462 6.88109871 5.63006502