4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=4.273576963564089 stress="-3.020020458373913 -0.0008634784352088338 0.1256649256275182 -0.0008634784352088338 -3.276531632476226 -0.6676785699821908 0.1256649256275182 -0.6676785699821908 -3.2219664541394653" pbc="T T T" Fe 0.00082602 0.24624097 0.14302402 -9.54663129 -24.21461854 -28.64374776 Fe 1.35498893 1.61042859 0.20947124 12.99789092 4.75862487 -19.87465872 Fe 1.35512851 0.05280714 1.41333883 10.04866471 -4.60280972 15.81438691 Fe 0.00144273 1.37241235 1.32230844 -13.49992434 24.05880340 32.70401958