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=-13.9796505943 stress="-0.0002488721689672901 0.4565923858419965 0.26091032753230914 0.4565923858419965 0.9363087922014592 -0.4035822525621804 0.26091032753230914 -0.4035822525621804 0.8378633106878789" pbc="F F F" Fe -0.11563527 0.23110688 -0.00183978 1.27032512 1.87437369 1.12817995 C 1.51283276 1.70071341 -0.17141964 -0.53041130 -3.06150837 1.65803122 Fe 1.64720807 0.08942344 1.45706424 0.84176706 1.50842951 -2.19539018 C 0.27559981 1.21321713 1.71736445 -1.58168088 -0.32129483 -0.59082098