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=-10.302067057 stress="-4.305784478798545 1.2080373493077374 -1.2272815471460887 1.2080373493077374 -8.706886314752104 1.5143014189196884 -1.2272815471460887 1.5143014189196884 -8.339090293255518" pbc="F F F" C 0.17828948 0.21182891 -0.20698176 -5.23580936 -7.61570918 -8.57662030 Fe 1.23241985 1.57255377 0.01129231 2.41378208 13.54407337 -10.01680348 Ti 1.51258782 0.16911338 1.30454100 8.32229463 -13.33022187 11.19624892 C 0.12365747 1.45588739 1.45297513 -5.50026734 7.40185768 7.39717485