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=-38.92713532607612 stress="22.531814464290505 2.553136820923153 1.6814385495427038 2.553136820923153 20.00405873325478 2.9956795583418567 1.6814385495427038 2.9956795583418567 21.83058189937267" pbc="F F F" Fe -0.17297059 0.07034430 0.04852473 1.15468572 1.00451731 0.81933527 Fe 1.55473499 1.41561068 1.63661615 0.89369289 0.29381984 -1.61471007 Fe 2.90480033 -0.12280496 -0.20130994 -0.71918450 1.13225314 1.29701128 Fe 4.61041876 1.26735611 1.33533445 -1.80710949 1.03600943 0.86271255 Fe -0.25851365 3.08611608 0.03369179 0.98638860 -1.22834057 0.62798904 Fe 1.52598936 4.06985140 1.33616671 0.65772050 -0.18740193 0.32290961 Fe 2.90583543 2.75559716 -0.29821528 -0.18330594 -0.51533728 1.25038634 Fe 4.79874826 4.27290972 1.38090187 -1.61162013 -1.41400527 0.84186950 Fe -0.13863341 0.05835534 2.74645637 0.64188737 0.38532220 -0.19458898 Fe 1.48193431 1.42001865 4.70070203 0.43573556 0.41413963 -1.66309708 Fe 2.70342959 -0.09914834 2.82024391 0.71951652 0.72749690 0.29956737 Fe 4.78187239 1.51001192 4.48453339 -1.65972777 0.76868066 -1.52404082 Fe 0.01219280 2.60079785 2.71904386 0.00276017 0.80746858 0.78883041 Fe 1.50082602 4.74624097 4.64302402 0.69564683 -1.27596323 -0.99588115 Fe 2.85498893 3.11042859 3.20947124 0.32708900 -1.02577437 -0.32851929 Fe 4.35512851 4.55280714 4.41333883 -0.53417533 -0.92288503 -0.78977399