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=-18.4666713093 stress="0.4630895946092845 0.05246759518813023 0.017639654406004405 0.05246759518813023 0.40070087879636357 0.01689100766405363 0.017639654406004405 0.01689100766405363 0.5720878338586434" pbc="F F F" C 0.15281120 0.01980137 -0.03759768 0.00000000 0.00000000 0.00000000 C 1.41661558 1.46512192 1.72586561 1.72987511 -1.36298989 3.53187849 C 3.24852137 -0.20057534 0.22092868 0.00000000 0.00000000 0.00000000 C 4.27761356 1.81181404 1.39362841 -2.12023732 1.21456557 1.34985002 Fe 0.23573857 3.02724172 -0.22461850 6.43107251 1.47014875 3.39124011 C 1.07722191 4.34887301 1.87803698 -3.42310636 -7.21000605 6.36391463 C 2.78984966 2.98735431 -0.19193250 -5.06246992 -0.22310964 2.63658701 Fe 4.40698366 4.68107110 1.62593775 -0.26181677 -0.94133887 3.09863011 Fe 0.13102478 0.09995250 3.24394446 4.53146935 4.21768955 0.43735306 C 1.51193751 1.75226748 4.46431997 1.42148844 -3.93613586 -6.29779610 Fe 3.04396501 0.07236142 3.20379337 -5.20841007 4.40324014 -0.29024616 Fe 4.59920262 1.26922180 4.45319307 -0.98231481 3.16734965 -1.06652232 C 0.02031036 3.18745344 3.02015752 6.75712287 7.63091196 -2.04526323 Fe 1.37970777 4.77711528 4.37871118 -1.75547602 -4.76134489 -7.66271272 Fe 2.75213077 2.70136236 2.42044670 -0.97151807 -2.08194739 -0.23092989 Fe 4.63616082 4.26429260 4.62968218 -1.08567894 -1.58703302 -3.21598301