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=-38.92713532607615 stress="0.00030412232027171 3.446086843919603e-05 2.2695153729925462e-05 3.446086843919603e-05 0.0002700040321408961 4.0434072431997276e-05 2.2695153729925462e-05 4.0434072431997276e-05 0.00029465746003904314" pbc="F F F" Fe 20.82702941 21.07034430 21.04852473 1.15468572 1.00451731 0.81933527 Fe 22.55473499 22.41561068 22.63661615 0.89369289 0.29381984 -1.61471007 Fe 23.90480033 20.87719504 20.79869006 -0.71918450 1.13225314 1.29701128 Fe 25.61041876 22.26735611 22.33533445 -1.80710949 1.03600943 0.86271255 Fe 20.74148635 24.08611608 21.03369179 0.98638860 -1.22834057 0.62798904 Fe 22.52598936 25.06985140 22.33616671 0.65772050 -0.18740193 0.32290961 Fe 23.90583543 23.75559716 20.70178472 -0.18330594 -0.51533728 1.25038634 Fe 25.79874826 25.27290972 22.38090187 -1.61162013 -1.41400527 0.84186950 Fe 20.86136659 21.05835534 23.74645637 0.64188737 0.38532220 -0.19458898 Fe 22.48193431 22.42001865 25.70070203 0.43573556 0.41413963 -1.66309708 Fe 23.70342959 20.90085166 23.82024391 0.71951652 0.72749690 0.29956737 Fe 25.78187239 22.51001192 25.48453339 -1.65972777 0.76868066 -1.52404082 Fe 21.01219280 23.60079785 23.71904386 0.00276017 0.80746858 0.78883041 Fe 22.50082602 25.74624097 25.64302402 0.69564683 -1.27596323 -0.99588115 Fe 23.85498893 24.11042859 24.20947124 0.32708900 -1.02577437 -0.32851929 Fe 25.35512851 25.55280714 25.41333883 -0.53417533 -0.92288503 -0.78977399