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=-6.2276234127641015 stress="0.9189680190874099 0.3044001359323946 -1.1389605355421977 0.3044001359323946 -1.7035831358251767 1.0244554605004002 -1.1389605355421977 1.0244554605004002 -0.5259421228420709" pbc="T F T" C 0.15098275 0.37726253 -0.00044125 3.24489556 -1.12891007 -4.80647644 C 1.51176968 1.44832183 0.25980354 -24.52707460 23.36742817 -3.56049234 Fe 1.41297880 0.27143892 1.40295338 4.69595654 -37.44592147 27.12462913 Fe 0.14189940 1.49554554 1.43947759 16.58622250 15.20740337 -18.75766034