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=-38.24061651200294 stress="9.737138937123511e-05 -1.8887257816931514e-05 -9.165110798004811e-05 -1.8887257816931514e-05 4.980190530165588e-05 1.578909999088321e-05 -9.165110798004811e-05 1.578909999088321e-05 6.367773835678604e-05" free_energy=-38.24061651200294 pbc="F F F" Fe 20.99331572 21.07049851 21.19650155 -0.58565330 -1.33697400 -0.35018798 Fe 22.40480033 22.37719504 22.29869006 2.72736223 0.22963706 2.65112395 Fe 24.11041876 20.76735611 20.83533445 -0.43966321 0.81613190 0.84089503 Fe 25.24148635 22.58611608 22.53369179 0.83863030 -0.54514609 0.41079269 Fe 21.02598936 23.42575395 20.96375436 -0.85482129 1.49530245 -0.93645925 Fe 22.40583543 25.41990798 22.01604202 0.42627234 -0.64291094 0.57157160 Fe 24.29874826 23.77290972 20.88090187 -1.33308718 0.50822233 -0.86538383 Fe 25.36136659 25.55835534 22.24645637 -0.52477709 -0.42951523 0.66424020 Fe 20.98193431 20.90845930 24.20070203 0.34805422 0.22377833 -0.89168307 Fe 22.20342959 22.40085166 25.53071260 0.97132314 0.67830352 -0.25757464 Fe 24.28187239 21.01001192 23.98453339 -2.00986163 -1.05893872 -0.82960940 Fe 25.50142095 22.37793365 25.21904386 0.40691124 1.56581777 0.76016370 Fe 21.00082602 24.24624097 24.14302402 0.64762327 -0.47166524 -0.80865435 Fe 22.35498893 25.61042859 25.70947124 0.69532676 -0.65875776 -0.53197065 Fe 23.85512851 24.05280714 23.91333883 -0.83091990 -0.02239490 -0.03856605 Fe 25.34655491 25.37241235 25.32230844 -0.48271989 -0.35089049 -0.38869796