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=-37.982650741581025 stress="0.0002761518002613453 2.0005402361177216e-05 3.4599455422398766e-05 2.0005402361177216e-05 0.00033229090621869503 9.302555784465845e-06 3.4599455422398766e-05 9.302555784465845e-06 0.00029111810087827957" free_energy=-37.982650741581025 pbc="F F F" Fe 20.85540510 21.11115480 21.11044915 1.59524315 1.22652224 1.20802645 Fe 22.70960170 22.31143450 22.33833517 -2.08659525 2.57137879 1.35119028 Fe 23.78829595 20.89839703 21.14041416 -0.68786589 -0.20028564 -0.01444122 Fe 25.21558223 22.51878885 22.32834452 0.67429178 1.00243248 1.21389589 Fe 20.87679405 23.95894820 21.20259391 1.17019831 -1.63193311 1.41140867 Fe 22.56504129 25.20865944 22.36550211 -1.40229331 1.46986775 2.42963197 Fe 23.78802619 24.22277084 21.18584377 1.33407354 -1.34625758 -1.23724501 Fe 25.68362810 25.69581920 22.64685009 -2.31399983 -2.05302321 1.09162402 Fe 21.26959405 21.17626233 23.85402479 0.58742898 1.37419603 -0.42625953 Fe 22.70996341 22.49207130 25.65300231 0.06223666 1.13496487 -1.48015636 Fe 24.03848316 20.95774659 23.91852158 -0.99423981 0.31697925 -0.38025193 Fe 25.45789336 22.38825682 25.27041603 -1.19443462 1.96553732 -0.94856501 Fe 20.97025476 24.17895518 24.29140871 2.55478707 -2.03264491 -1.97887824 Fe 22.61455359 25.53253581 25.64904689 0.69650295 -1.44829892 -1.04286892 Fe 23.78091226 24.10609294 23.96055425 0.73220848 -1.21785170 0.16920274 Fe 25.30598025 25.32157598 25.51361598 -0.72754222 -1.13158366 -1.36631380