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=-59.073690628 stress="-2.0679672231145543 -0.13269038434843877 0.14986483867887526 -0.13269038434843877 -1.9456621860254497 -0.03058130728292169 0.14986483867887526 -0.03058130728292169 -2.084973416768379" pbc="F F F"
Ti      -0.05949478       0.04843342      -0.28535889      -0.73161469      -0.50205663      -1.17087424 
Fe       1.88374247       1.54530481      -0.04793993      -3.42550694      -7.51709581      -5.46946839 
C       1.62593290       0.06233324       1.37828199     -12.86288115      -4.55728827       1.98050139 
Fe      -0.08187355       1.20122014       1.73212867      -7.28884665       7.35993941     -19.43990743 
C       2.75294705      -0.23932283       0.17871475       6.24398632      -8.09029146     -11.45186093 
C       4.41251877       1.66587486      -0.22587754       0.40673114       0.81380731       1.43390285 
Fe       4.28353165      -0.16071004       1.51229390       4.20861227       0.57807266      -3.82104615 
C       2.84628414       1.29061752       1.74304738       4.83526653       7.65033343      -2.00937679 
Ti      -0.28843667       3.19558141       0.15093924      -7.11680491      -2.71457622      -5.48274346 
Fe       1.64803915       4.26416454       0.14526935     -15.81729571      16.33329271     -26.65653176 
Ti       1.53806039       3.07797747       1.55458260      -1.39111631     -14.58642985      12.22837658 
C       0.35539327       4.55957798       1.66192607      -4.84873655       7.72038672      -7.33604056 
Fe       2.99509235       3.03099333       0.19045800      18.77719474      -7.67273053     -15.96345786 
C       4.70382098       4.13623780      -0.24853839      -1.73987727      -0.24638177       1.09666470 
Fe       4.67379638       2.78100384       1.45742157       5.56009681       5.13863012      -6.15951123 
Ti       2.87252202       4.53320948       1.44057204      17.23824834      16.88319225      14.91624490 
Ti       0.20040666       0.05646809       3.03502127      -4.40781639     -22.56685259      14.04560323 
Fe       1.66980798       1.46427615       3.02184289       1.86505614      -1.07937669       6.10239493 
C       1.65019543       0.25070446       4.64259372      -4.81978820      -3.09890830      -0.40278957 
Fe       0.23454065       1.59705314       4.53310309      -5.43456990      -1.96531158       8.10415153 
Fe       2.81305510      -0.15527974       2.96070040      -4.43517366      -8.66368292       3.12051361 
C       4.49928290       1.73956773       2.72557373      10.85682804      -5.00841048       1.40307295 
Ti       4.40977949       0.14408857       4.32453107      11.78863141      -6.73525175       1.11998206 
C       3.20902946       1.29590009       4.66265408      -2.89451154       6.63511467       7.54881689 
Ti      -0.04125212       3.02111121       2.73417086     -14.16768872      -1.17501462       4.78404542 
Fe       1.21157135       4.68168807       3.14109445      10.39354452      13.98780648      -5.50442653 
Fe       1.53839703       3.08612472       4.22340307      -1.11686476      -2.49629801      15.36701319 
Ti       0.11951579       4.46781377       4.63443557     -14.15506807       5.12540252      15.39945613 
C       2.80662717       2.95744274       3.22475079       4.81300033       3.15282508      -3.10986072 
C       4.27927999       4.77544140       2.55934640       4.98541149       1.42001287       0.95964084 
Ti       4.78148913       3.05210001       4.46864501       5.72351718      -2.68373584       1.13776163 
Ti       3.29938198       4.50736779       4.50505582      -1.04196387       8.56087708       3.22975281