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=-12.9692748867 stress="-0.43335506580785194 -0.03315562320736823 -0.39217020030915084 -0.03315562320736823 0.8840529269348797 0.020107798127262714 -0.39217020030915084 0.020107798127262714 -0.4838654715142362" pbc="F F F" Ti -0.03332758 0.27143892 -0.09704662 -1.79114744 1.17605712 -1.84056755 C 1.60338854 1.74759167 0.11018303 0.43620575 -1.43082299 0.12883222 Fe 1.42518197 -0.25336477 1.48702489 1.22208376 1.71831653 1.40664225 C -0.05142115 1.68843096 1.63924302 0.13285794 -1.46355066 0.30509308