32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-14.200838783153543 stress="-1.6965100722686801 0.007886311775563514 0.07956230582772028 0.007886311775563514 -1.5742174793452492 -0.07467045773897556 0.07956230582772028 -0.07467045773897556 -1.573989677168937" free_energy=-14.200838783153543 pbc="F F F" Fe 0.09119645 0.21456242 0.27913633 -12.85144932 -36.95600203 -26.92795281 Ti 1.35263676 1.68492541 0.12263099 23.06832177 6.44222801 -35.83778712 C 1.54530481 0.12593290 1.61820768 4.69281194 -15.15810425 -6.79644215 Fe 0.23212867 1.25294705 1.26067717 -22.71022178 29.37612478 33.19315897 Fe 3.17871475 0.19104769 0.01229390 -19.04491900 -9.69672152 -21.90090319 C 4.34628414 1.29061752 0.24339277 10.62259524 12.06830777 -5.77969612 Ti 4.21156333 0.15093924 1.43662662 24.46442165 -11.29360723 15.46084009 Ti 2.76416454 1.64526935 1.71427244 9.65104209 -0.55407323 1.23512821 Fe 0.07797747 3.39814896 0.17918122 -12.87719452 -12.10696818 -14.96580899 C 1.26992816 4.70115497 0.03099333 11.33170331 7.98653734 -10.62504256 Fe 1.69045800 3.07166715 1.42588762 -14.75266665 20.78905991 9.15542258 C 0.17379638 4.40411058 1.33431482 -7.73081492 9.64923537 23.13904137 C 2.87252202 3.15040794 0.20040666 6.82649179 2.05053225 -8.91640148 Ti 4.55646809 4.53502127 0.16980798 3.49559539 2.16231210 -5.15019503 Fe 4.46427615 3.02184289 1.92700230 36.64333795 -1.44490266 -27.02330322 Ti 3.13350600 4.64618898 1.83421103 -13.05528332 13.46762914 -7.37125409 Ti 0.03480345 0.03310309 2.81305510 -10.46396282 -14.97551816 5.97436547 C 1.34112500 1.52295010 2.84843872 2.24461151 -0.79728543 6.06289447 Fe 1.72015150 0.14408857 4.47537525 5.49419094 -8.78909649 5.81454222 Fe 0.20902946 1.06576151 4.66265408 -9.28791981 7.95472205 6.91057702 Ti 2.95874788 0.04052745 2.73417086 2.35220037 -16.22566576 5.99957106 C 4.44170993 1.68168807 3.27345859 11.57892570 -8.07825467 0.28985737 Fe 4.53839703 0.13570813 4.27553384 5.47941460 -6.15522525 3.04150042 Fe 3.13443557 1.56717778 4.47915721 -18.29180291 -8.74644942 5.50106406 C 0.22475079 2.51323044 2.99191287 -11.98821912 13.47771045 3.82014315 C 1.32655828 4.78148913 3.18379047 -1.69563715 7.30930203 -4.65763451 Ti 1.46864501 3.26147517 4.50736779 10.37547152 -7.45069248 2.99739797 Ti 0.00505582 4.23594820 4.67858111 -13.79891890 5.64045419 1.09523433 C 3.31648221 2.95013260 2.76820562 -31.83759109 -3.62095241 18.24977596 Fe 4.45203735 4.54673013 3.22232616 7.81655652 6.98457132 12.64495207 Ti 4.47927008 2.72147108 4.69736496 18.00330104 15.56701651 13.02587074 C 2.82128623 4.71586793 4.58143387 6.24560799 1.12377596 2.34108374