16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-39.8205616256 stress="0.15824615063719472 -0.007167125235858814 -0.045286443563708936 -0.007167125235858814 0.14589957058471642 -0.03942047676757086 -0.045286443563708936 -0.03942047676757086 0.12910217174492972" pbc="F F F" Fe -0.00548572 -0.15873180 -0.15859300 0.57466529 0.69525669 0.52039828 Fe 1.31668137 1.41986395 1.24396547 1.04265832 0.91693608 1.52733153 Fe 3.09073906 0.27219963 -0.06618674 -0.51190865 0.60594873 0.70558786 Fe 4.63132919 1.62115328 1.22592512 -1.30378492 0.52870487 1.39204574 Fe -0.21495266 3.18365717 0.20288723 0.82967922 -0.84833102 0.60486095 Fe 1.58343331 4.29585403 1.44809454 -0.32191205 -0.40053511 1.33099263 Fe 3.22094491 3.23171545 0.18190327 -1.56583659 -2.24178180 -1.00331108 Fe 4.32183498 4.71219253 1.42485375 0.28611678 -0.20672160 1.83128653 Fe 0.12990665 -0.21779550 3.28278197 0.99802543 1.24765132 -0.66967044 Fe 1.56210000 1.63362859 4.32702941 0.43071265 -0.25071276 -0.68146519 Fe 3.07034430 0.04852473 3.05473499 -0.64137608 1.77091321 -0.81472623 Fe 4.41561068 1.63661615 4.40480033 -0.68458857 0.15129208 -0.73702169 Fe -0.12280496 2.79869006 3.11041876 1.39423907 -0.41989292 -1.34441900 Fe 1.26735611 4.33533445 4.24148635 0.96598721 -0.61587325 -0.57367117 Fe 3.08611608 3.03369179 3.02598936 -2.51520566 -2.23359837 -3.39198997 Fe 4.28165184 4.21021073 4.38776974 1.02252854 1.30074383 1.30377124