51
Molecule
O     1.892250e+00 -0.000000e+00  1.580516e+00
O     1.892250e+00  3.784500e+00  1.580516e+00
O     5.676750e+00 -0.000000e+00  1.580516e+00
O     5.676750e+00  3.784500e+00  1.580516e+00
Ti    0.000000e+00  0.000000e+00  1.979545e+00
Ti    0.000000e+00  3.784500e+00  1.979545e+00
Ti    3.784500e+00  0.000000e+00  1.979545e+00
Ti    3.784500e+00  3.784500e+00  1.979545e+00
O     0.000000e+00  1.892250e+00  2.378575e+00
O     0.000000e+00  5.676750e+00  2.378575e+00
O     3.784500e+00  1.892250e+00  2.378575e+00
O     3.784500e+00  5.676750e+00  2.378575e+00
O     0.000000e+00  0.000000e+00  3.959091e+00
O     0.000000e+00  3.784500e+00  3.959091e+00
O     3.784500e+00  0.000000e+00  3.959091e+00
O     3.784500e+00  3.784500e+00  3.959091e+00
Ti    0.000000e+00  1.892250e+00  4.358120e+00
Ti    0.000000e+00  5.676750e+00  4.358120e+00
Ti    3.784500e+00  1.892250e+00  4.358120e+00
Ti    3.784500e+00  5.676750e+00  4.358120e+00
O     1.892250e+00  1.892250e+00  4.757150e+00
O     1.892250e+00  5.676750e+00  4.757150e+00
O     5.676750e+00  1.892250e+00  4.757150e+00
O     5.676750e+00  5.676751e+00  4.834263e+00
O    -1.046795e-03  1.892249e+00  6.358446e+00
O     8.993409e-03  5.676749e+00  6.368960e+00
O     3.785547e+00  1.892249e+00  6.358446e+00
O     3.775507e+00  5.676749e+00  6.368960e+00
Ti    1.892249e+00  1.892251e+00  6.807787e+00
Ti    1.892250e+00  5.676751e+00  6.815368e+00
Ti    5.676749e+00  1.892251e+00  6.808779e+00
Ti    5.676750e+00  5.676750e+00  6.825738e+00
O     1.892250e+00  3.452978e-03  7.271365e+00
O     1.892250e+00  3.781046e+00  7.271365e+00
O     5.676750e+00  2.995073e-03  7.278096e+00
O     5.676749e+00  3.781504e+00  7.278096e+00
O     1.892251e+00  1.892250e+00  8.809108e+00
O     1.892251e+00  5.676749e+00  8.812072e+00
O     5.676751e+00  1.892250e+00  8.813521e+00
O     5.676751e+00  5.676750e+00  8.826134e+00
Ti    1.892250e+00  1.315367e-03  9.242511e+00
Ti    1.892248e+00  3.783185e+00  9.242511e+00
Ti    5.676750e+00  2.252824e-03  9.248352e+00
Ti    5.676748e+00  3.782247e+00  9.248353e+00
O     1.531469e-03  2.190350e-03  9.752895e+00
O     1.531142e-03  3.782309e+00  9.752895e+00
O     3.782969e+00  2.190279e-03  9.752895e+00
O     3.782971e+00  3.782309e+00  9.752895e+00
C     3.782970e+00  2.100000e-03  1.130000e+01
O     4.929637e+00  2.100000e-03  1.130000e+01
O     2.636303e+00  2.100000e-03  1.130000e+01
