108 Lattice="11.206764114475611 0.0 0.0 0.0 11.206764114475611 0.0 0.0 0.0 11.206764114475611" Properties=species:S:1:pos:R:3:forces:R:3 energy=-272.0786160174324 stress="-0.00524946901196126 0.0012956416078220435 -0.0002329429702563359 0.0012956416078220435 -0.004650425552402014 -0.0008865471087376848 -0.0002329429702563359 -0.0008865471087376848 -0.005587658940089118" free_energy=-272.0786160174324 pbc="F F F" Fe 0.02548452 0.00303763 0.02013422 -0.43984463 -0.31448026 -0.51495455 Fe 1.89990274 1.85023571 0.02555837 0.34244267 0.83846443 -0.73113363 Fe 1.83878232 0.00166870 1.83118419 1.02702807 -0.73334252 0.92902611 Fe 0.00425778 1.83979973 1.86485044 -0.75957699 0.90727850 0.46707932 Fe 3.76660537 0.02330868 0.00600238 -0.03941782 -0.48246322 -0.36393393 Fe 5.57889151 1.89824543 0.02341574 0.28796757 0.28512883 -0.62961716 Fe 5.57991864 0.02006845 1.88822674 0.11010937 -0.64758641 0.25950082 Fe 3.74620663 1.88088944 1.88607119 -0.13687758 0.67327657 0.92684248 Fe 7.49594455 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