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=-39.820561625608676 stress="0.0002330533718708144 -1.0555218538411744e-05 -6.669456621891372e-05 -1.0555218538411744e-05 0.00021487023060186685 -5.80555987898956e-05 -6.669456621891372e-05 -5.80555987898956e-05 0.00019013224852452548" free_energy=-39.820561625608676 pbc="F F F" Fe 20.99451428 20.84126820 20.84140700 0.57466529 0.69525669 0.52039828 Fe 22.31668137 22.41986395 22.24396547 1.04265832 0.91693608 1.52733153 Fe 24.09073906 21.27219963 20.93381326 -0.51190865 0.60594873 0.70558786 Fe 25.63132919 22.62115328 22.22592512 -1.30378492 0.52870487 1.39204574 Fe 20.78504734 24.18365717 21.20288723 0.82967922 -0.84833102 0.60486095 Fe 22.58343331 25.29585403 22.44809454 -0.32191205 -0.40053511 1.33099263 Fe 24.22094491 24.23171545 21.18190327 -1.56583659 -2.24178180 -1.00331108 Fe 25.32183498 25.71219253 22.42485375 0.28611678 -0.20672160 1.83128653 Fe 21.12990665 20.78220450 24.28278197 0.99802543 1.24765132 -0.66967044 Fe 22.56210000 22.63362859 25.32702941 0.43071265 -0.25071276 -0.68146519 Fe 24.07034430 21.04852473 24.05473499 -0.64137608 1.77091321 -0.81472623 Fe 25.41561068 22.63661615 25.40480033 -0.68458857 0.15129208 -0.73702169 Fe 20.87719504 23.79869006 24.11041876 1.39423907 -0.41989292 -1.34441900 Fe 22.26735611 25.33533445 25.24148635 0.96598721 -0.61587325 -0.57367117 Fe 24.08611608 24.03369179 24.02598936 -2.51520566 -2.23359837 -3.39198997 Fe 25.28165184 25.21021073 25.38776974 1.02252854 1.30074383 1.30377124