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=-8.97252088993 stress="1.8904467640748652 2.824324111345053 -0.48255602933310565 2.824324111345053 3.721552747537172 -1.2484226394050066 -0.48255602933310565 -1.2484226394050066 4.260174359551154" pbc="F F F" C 0.27913633 -0.14736324 0.18492541 7.12327729 9.39152752 1.85486098 C 1.33178173 1.38323780 -0.23807589 -6.47563853 -9.76740059 7.13142385 Fe 1.46490969 -0.23739624 1.62263099 -0.22092979 -0.24587190 -4.81313396 Fe 0.27743348 1.45206007 1.62593290 -0.42670898 0.62174496 -4.17315087