108 Lattice="11.206764132985747 0.0 0.0 0.0 11.206764132985747 0.0 0.0 0.0 11.206764132985747" Properties=species:S:1:pos:R:3:forces:R:3 energy=-272.17019935499894 stress="-0.004680900298848553 -0.00020807048051512514 -0.0006709290937089159 -0.00020807048051512514 -0.004711744967881151 0.0002794079739590913 -0.0006709290937089159 0.0002794079739590913 -0.004204005893012418" free_energy=-272.17019935499894 pbc="F F F" Fe 0.02808104 0.01770475 0.01121828 -0.43589003 -0.34426465 -0.25610180 Fe 1.85476871 1.83258998 0.00150412 0.75698480 0.86495887 -0.59894585 Fe 1.83111217 0.03138368 1.89946380 1.01554669 -0.88301454 0.41809353 Fe 0.02673362 1.87156525 1.90398703 -0.95490306 0.75782279 0.38665114 Fe 3.70876705 0.00915837 0.02865894 0.18926832 -0.37812633 -0.45466548 Fe 5.66091055 1.89942905 0.03588739 -0.25588368 0.30663301 -0.79895275 Fe 5.57272427 0.01825007 1.86910704 0.47363237 -0.54093851 0.46535240 Fe 3.76383170 1.86182397 1.85105702 -0.32150485 0.84668038 0.95335451 Fe 7.50410966 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