16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-41.38912981122223 stress="0.0002579143005086536 3.5025460109596566e-05 4.510240057935395e-05 3.5025460109596566e-05 0.0002531142082100713 0.0001150921161626637 4.510240057935395e-05 0.0001150921161626637 0.0002481903734029871" pbc="F F F" Fe 21.14302402 20.85498893 21.11042859 1.19040758 1.30197854 0.80060638 Ni 22.70947124 22.35512851 22.55280714 -0.56315811 0.90291025 -0.65816904 Ni 23.91333883 20.84655491 20.87241235 -0.95636506 1.21792632 1.57536807 Ni 25.32230844 22.41049160 22.22286420 -1.68073379 0.47590368 0.54222935 Ni 20.93858073 23.75205420 21.15488783 1.62929414 -0.93466228 1.34818015 Ni 22.55988540 24.99230711 22.66431082 -0.52229458 1.56385426 -0.94209105 Ni 23.80161160 23.98844065 21.03277713 0.40124362 -0.99783010 0.54734180 Fe 25.39971974 25.37366136 22.46097674 -0.40062022 -0.28327753 -0.47113988 Fe 20.78219307 21.21813893 23.76716069 1.33544383 0.44240412 -0.53902730 Fe 22.69410236 22.25395647 25.38201197 0.57297406 0.19901828 -0.73770124 Fe 23.83998959 20.72002482 23.77696427 0.49907240 0.78380836 -0.19704087 Fe 25.41661558 22.46512192 25.72586561 -1.23043908 0.84183366 -1.09992821 Fe 21.29391194 23.72614529 24.02103145 -0.33779088 -0.48151314 0.56725460 Ni 22.27761356 25.68220204 25.39362841 1.18593356 -1.63262251 -1.49199481 Fe 24.23573857 24.02724172 23.77538150 0.07304480 -2.01255193 2.13077897 Ni 25.20296332 25.34887301 25.72083292 -1.19601227 -1.38717999 -1.37466690