16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-44.4628269105 stress="0.21606141560649442 0.05920268213402243 0.07028394915916246 0.05920268213402243 0.2573163568536473 0.016821270624867442 0.07028394915916246 0.016821270624867442 0.12320518436145672" pbc="F F F" Fe -0.12758765 -0.17769156 -0.08950840 1.02946877 0.54685250 0.94372115 C 1.48407176 1.43858073 1.26399172 -0.21393736 1.84457219 0.71134022 Fe 3.40715531 0.05988540 -0.29754255 0.07209117 0.48707620 1.67600229 C 4.66431082 1.31425730 1.45276062 -1.60331701 0.34618187 -0.70840569 C 0.03277713 2.89971974 -0.12633864 1.25576158 0.05860716 0.83462363 Fe 1.50494174 4.28219307 1.71813893 0.27373231 -3.08394362 -0.10420416 C 2.76716069 3.19410236 -0.16903503 0.29819299 1.05492810 0.44864268 Fe 4.38201197 4.43300593 1.29238624 -1.39003124 -1.72288475 -0.35889084 Fe -0.22303573 -0.08338442 3.16891529 0.89598401 0.94055911 -0.36572417 C 1.72586561 1.79391194 4.22614529 -0.95066609 2.99913511 -0.38376676 Fe 3.02103145 -0.22238644 3.18220204 0.39549094 3.09618022 -0.34849310 C 4.39362841 1.97428453 4.52724172 -1.26517895 -0.17630682 -2.13947959 C -0.22461850 2.47218512 2.84887301 1.01872089 -0.59067894 -0.41241318 Fe 1.50312987 4.28984966 4.50766466 1.91413392 -0.75054680 0.68257190 Fe 3.11044494 2.90698366 3.18107110 1.30245814 -4.72126386 -0.75451408 C 4.32825321 4.63102478 4.59995250 -3.03290409 -0.32846768 0.27898971