256 Lattice="14.379118456516007 0.0 0.0 0.0 14.379118456516007 0.0 0.0 0.0 14.379118456516007" Properties=species:S:1:pos:R:3:forces:R:3 energy=-900.3512306860493 stress="-0.006601985571661239 0.0003455733965324462 -0.000332976205562533 0.0003455733965324462 -0.006461887228675077 0.00023385602951707293 -0.000332976205562533 0.00023385602951707293 -0.006437276889445909" free_energy=-900.3512306860493 pbc="F F F" Fe 0.02451937 0.00968478 0.01123240 0.39770215 0.43506825 0.36490114 Fe 1.80300355 1.83007250 0.01719842 -0.20398247 -0.14006199 -0.20324080 Fe 1.80152163 0.01492269 1.77445888 -0.17141127 -0.21781066 -0.01131247 Fe 0.02519422 1.83279343 1.79193028 -0.29497293 -0.39879498 -0.23411838 Fe 3.53435267 0.02437604 0.00995393 0.16869521 0.08965777 0.02520805 Fe 5.42661699 1.76721708 0.02863036 -0.27616689 0.18805740 -0.33102647 Fe 5.40561037 0.03348945 1.79852077 -0.27394812 -0.38433676 -0.06938061 Fe 3.58327250 1.79912830 1.76737961 0.13614184 -0.09409689 0.19892124 Fe 7.19716639 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