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=-11.1813029553 stress="-2.0121540175963566 -1.0799064998669126 0.31002608613114446 -1.0799064998669126 -5.093449491206722 1.7532526068832999 0.31002608613114446 1.7532526068832999 -5.980485205348012" pbc="F F F" C 0.10881314 0.13250256 0.10031152 -4.62634708 -6.55945754 -4.06434993 Ti 1.55442580 1.35431870 -0.21988289 4.27918745 10.46957006 -11.39419042 Fe 1.56438447 0.05791531 1.23387496 1.07931744 -8.05195698 9.87481247 C 0.27385083 1.56603388 1.50693356 -0.73215782 4.14184445 5.58372787