204
Molecule
O     0.000000e+00  1.892250e+00  1.580517e+00
O     0.000000e+00  5.676750e+00  1.580517e+00
O     0.000000e+00  9.461250e+00  1.580517e+00
O     0.000000e+00  1.324575e+01  1.580517e+00
O     3.784500e+00  1.892250e+00  1.580517e+00
O     3.784500e+00  5.676750e+00  1.580517e+00
O     3.784500e+00  9.461250e+00  1.580517e+00
O     3.784500e+00  1.324575e+01  1.580517e+00
O     7.569000e+00  1.892250e+00  1.580517e+00
O     7.569000e+00  5.676750e+00  1.580517e+00
O     7.569000e+00  9.461250e+00  1.580517e+00
O     7.569000e+00  1.324575e+01  1.580517e+00
O     1.135350e+01  1.892250e+00  1.580517e+00
O     1.135350e+01  5.676750e+00  1.580517e+00
O     1.135350e+01  9.461250e+00  1.580517e+00
O     1.135350e+01  1.324575e+01  1.580517e+00
Ti    0.000000e+00  0.000000e+00  1.979544e+00
Ti   -0.000000e+00  3.784500e+00  1.979544e+00
Ti    0.000000e+00  7.569000e+00  1.979544e+00
Ti    0.000000e+00  1.135350e+01  1.979544e+00
Ti    3.784500e+00  0.000000e+00  1.979544e+00
Ti    3.784500e+00  3.784500e+00  1.979544e+00
Ti    3.784500e+00  7.569000e+00  1.979544e+00
Ti    3.784500e+00  1.135350e+01  1.979544e+00
Ti    7.569000e+00  0.000000e+00  1.979544e+00
Ti    7.569000e+00  3.784500e+00  1.979544e+00
Ti    7.569000e+00  7.569000e+00  1.979544e+00
Ti    7.569000e+00  1.135350e+01  1.979544e+00
Ti    1.135350e+01  0.000000e+00  1.979544e+00
Ti    1.135350e+01  3.784500e+00  1.979544e+00
Ti    1.135350e+01  7.569000e+00  1.979544e+00
Ti    1.135350e+01  1.135350e+01  1.979544e+00
O     1.892250e+00 -0.000000e+00  2.378574e+00
O     1.892250e+00  3.784500e+00  2.378574e+00
O     1.892250e+00  7.569000e+00  2.378574e+00
O     1.892250e+00  1.135350e+01  2.378574e+00
O     5.676750e+00 -0.000000e+00  2.378574e+00
O     5.676750e+00  3.784500e+00  2.378574e+00
O     5.676750e+00  7.569000e+00  2.378574e+00
O     5.676750e+00  1.135350e+01  2.378574e+00
O     9.461250e+00 -0.000000e+00  2.378574e+00
O     9.461250e+00  3.784500e+00  2.378574e+00
O     9.461250e+00  7.569000e+00  2.378574e+00
O     9.461250e+00  1.135350e+01  2.378574e+00
O     1.324575e+01 -0.000000e+00  2.378574e+00
O     1.324575e+01  3.784500e+00  2.378574e+00
O     1.324575e+01  7.569000e+00  2.378574e+00
O     1.324575e+01  1.135350e+01  2.378574e+00
O     0.000000e+00  0.000000e+00  3.959100e+00
O     0.000000e+00  3.784500e+00  3.959100e+00
O    -0.000000e+00  7.569000e+00  3.959100e+00
O     0.000000e+00  1.135350e+01  3.959100e+00
O     3.784500e+00  0.000000e+00  3.959100e+00
O     3.784500e+00  3.784500e+00  3.959100e+00
O     3.784500e+00  7.569000e+00  3.959100e+00
O     3.784500e+00  1.135350e+01  3.959100e+00
O     7.569000e+00  0.000000e+00  3.959100e+00
O     7.569000e+00  3.784500e+00  3.959100e+00
O     7.569000e+00  7.569000e+00  3.959100e+00
O     7.569000e+00  1.135350e+01  3.959100e+00
O     1.135350e+01  0.000000e+00  3.959100e+00
O     1.135350e+01  3.784500e+00  3.959100e+00
O     1.135350e+01  7.569000e+00  3.959100e+00
O     1.135350e+01  1.135350e+01  3.959100e+00
Ti    1.892250e+00 -0.000000e+00  4.358130e+00
Ti    1.892250e+00  3.784500e+00  4.358130e+00
Ti    1.892250e+00  7.569000e+00  4.358130e+00
Ti    1.892250e+00  1.135350e+01  4.358130e+00
Ti    5.676750e+00 -0.000000e+00  4.358130e+00
Ti    5.676750e+00  3.784500e+00  4.358130e+00
Ti    5.676750e+00  7.569000e+00  4.358130e+00
Ti    5.676750e+00  1.135350e+01  4.358130e+00
Ti    9.461250e+00 -0.000000e+00  4.358130e+00
Ti    9.461250e+00  3.784500e+00  4.358130e+00
Ti    9.461250e+00  7.569000e+00  4.358130e+00
Ti    9.461250e+00  1.135350e+01  4.358130e+00
Ti    1.324575e+01 -0.000000e+00  4.358130e+00
Ti    1.324575e+01  3.784500e+00  4.358130e+00
Ti    1.324575e+01  7.569000e+00  4.358130e+00
Ti    1.324575e+01  1.135350e+01  4.358130e+00
O     1.892250e+00  1.892250e+00  4.757160e+00
O     1.892250e+00  5.676750e+00  4.757160e+00
O     1.892250e+00  9.461250e+00  4.757160e+00
O     1.892250e+00  1.324575e+01  4.757160e+00
O     5.676750e+00  1.892250e+00  4.757160e+00
O     5.676750e+00  5.676750e+00  4.757160e+00
O     5.676750e+00  9.461250e+00  4.757160e+00
O     5.676750e+00  1.324575e+01  4.757160e+00
O     9.461250e+00  1.892250e+00  4.757160e+00
O     9.461250e+00  5.676750e+00  4.757160e+00
O     9.461250e+00  9.461250e+00  4.757160e+00
O     9.461250e+00  1.324575e+01  4.757160e+00
O     1.324575e+01  1.892250e+00  4.757160e+00
O     1.324575e+01  5.676750e+00  4.757160e+00
O     1.324575e+01  9.461250e+00  4.757160e+00
O     1.324549e+01  1.324571e+01  4.781658e+00
O     1.890994e+00 -2.208250e-04  6.343597e+00
O     1.892577e+00  3.784486e+00  6.343499e+00
O     1.892672e+00  7.569010e+00  6.343525e+00
O     1.891254e+00  1.135372e+01  6.343612e+00
O     5.676108e+00 -9.165490e-05  6.343241e+00
O     5.676596e+00  3.784524e+00  6.343434e+00
O     5.676820e+00  7.569036e+00  6.343541e+00
O     5.676594e+00  1.135354e+01  6.343393e+00
O     9.462748e+00 -2.185581e-04  6.343331e+00
O     9.461006e+00  3.784548e+00  6.343377e+00
O     9.460774e+00  7.569008e+00  6.343483e+00
O     9.462297e+00  1.135366e+01  6.343489e+00
O     1.324600e+01  2.629828e-03  6.347261e+00
O     1.324584e+01  3.784845e+00  6.342903e+00
O     1.324574e+01  7.568660e+00  6.342934e+00
O     1.324585e+01  1.135089e+01  6.347262e+00
Ti    1.892054e+00  1.892403e+00  6.756179e+00
Ti    1.892129e+00  5.676766e+00  6.755864e+00
Ti    1.892042e+00  9.461099e+00  6.756150e+00
Ti    1.891871e+00  1.324573e+01  6.756920e+00
Ti    5.676659e+00  1.892303e+00  6.755738e+00
Ti    5.676669e+00  5.676758e+00  6.755714e+00
Ti    5.676669e+00  9.461198e+00  6.755693e+00
Ti    5.676647e+00  1.324574e+01  6.755759e+00
Ti    9.461474e+00  1.892388e+00  6.756079e+00
Ti    9.461387e+00  5.676756e+00  6.755759e+00
Ti    9.461471e+00  9.461109e+00  6.756039e+00
Ti    9.461616e+00  1.324574e+01  6.756814e+00
Ti    1.324579e+01  1.891647e+00  6.757305e+00
Ti    1.324582e+01  5.676771e+00  6.755675e+00
Ti    1.324582e+01  9.461867e+00  6.757277e+00
Ti    1.324575e+01  1.324573e+01  6.763568e+00
O     4.033553e-04  1.893826e+00  7.172911e+00
O     1.363083e-04  5.676794e+00  7.171982e+00
O     4.098157e-04  9.459816e+00  7.172786e+00
O     2.111111e-04  1.324568e+01  7.176722e+00
O     3.784326e+00  1.892187e+00  7.171639e+00
O     3.784512e+00  5.676973e+00  7.171635e+00
O     3.784463e+00  9.461342e+00  7.171623e+00
O     3.784088e+00  1.324552e+01  7.171882e+00
O     7.568989e+00  1.891995e+00  7.171260e+00
O     7.568945e+00  5.676986e+00  7.171452e+00
O     7.568992e+00  9.461329e+00  7.171438e+00
O     7.569199e+00  1.324573e+01  7.171505e+00
O     1.135326e+01  1.893875e+00  7.172601e+00
O     1.135341e+01  5.676971e+00  7.171794e+00
O     1.135313e+01  9.459642e+00  7.172589e+00
O     1.135338e+01  1.324557e+01  7.176431e+00
O     1.892560e+00  1.892439e+00  8.728772e+00
O     1.892323e+00  5.676783e+00  8.728306e+00
O     1.892592e+00  9.460997e+00  8.728585e+00
O     1.892979e+00  1.324568e+01  8.730088e+00
O     5.676725e+00  1.892219e+00  8.727964e+00
O     5.676702e+00  5.676289e+00  8.728070e+00
O     5.676702e+00  9.461455e+00  8.727986e+00
O     5.676713e+00  1.324601e+01  8.727946e+00
O     9.460908e+00  1.892188e+00  8.728334e+00
O     9.461209e+00  5.676294e+00  8.728086e+00
O     9.460934e+00  9.461468e+00  8.728360e+00
O     9.460449e+00  1.324594e+01  8.729662e+00
O     1.324576e+01  1.892635e+00  8.729626e+00
O     1.324577e+01  5.676785e+00  8.728448e+00
O     1.324575e+01  9.460811e+00  8.729446e+00
O     1.324572e+01  1.324559e+01  8.737896e+00
Ti    2.821610e-04  1.892728e+00  9.107637e+00
Ti   -2.448140e-05  5.676763e+00  9.106888e+00
Ti    2.945185e-04  9.460747e+00  9.107515e+00
Ti    7.909447e-04  1.324569e+01  9.110564e+00
Ti    3.784572e+00  1.892284e+00  9.106710e+00
Ti    3.784446e+00  5.676746e+00  9.106438e+00
Ti    3.784564e+00  9.461238e+00  9.106560e+00
Ti    3.784720e+00  1.324573e+01  9.107085e+00
Ti    7.568870e+00  1.892202e+00  9.106401e+00
Ti    7.568992e+00  5.676669e+00  9.106117e+00
Ti    7.568872e+00  9.461314e+00  9.106235e+00
Ti    7.568695e+00  1.324582e+01  9.106781e+00
Ti    1.135324e+01  1.892719e+00  9.107391e+00
Ti    1.135359e+01  5.676743e+00  9.106619e+00
Ti    1.135325e+01  9.460781e+00  9.107245e+00
Ti    1.135268e+01  1.324571e+01  9.110341e+00
O     1.201133e-03  9.846953e-04  9.613449e+00
O     3.650428e-04  3.785137e+00  9.612344e+00
O     3.829767e-04  7.568594e+00  9.612092e+00
O     1.293874e-03  1.135214e+01  9.613163e+00
O     3.785358e+00  1.481773e-04  9.611853e+00
O     3.784772e+00  3.784495e+00  9.611323e+00
O     3.784802e+00  7.568935e+00  9.611055e+00
O     3.785172e+00  1.135338e+01  9.611633e+00
O     7.568434e+00  1.564227e-04  9.611498e+00
O     7.568827e+00  3.784233e+00  9.610891e+00
O     7.568826e+00  7.568936e+00  9.610544e+00
O     7.568430e+00  1.135365e+01  9.611190e+00
O     1.135178e+01  1.010554e-03  9.613020e+00
O     1.135299e+01  3.784825e+00  9.611988e+00
O     1.135298e+01  7.568594e+00  9.611724e+00
O     1.135196e+01  1.135244e+01  9.612833e+00
C     3.785170e+00  1.135300e+01  1.122000e+01
O     3.785170e+00  1.020633e+01  1.122000e+01
O     3.785170e+00  1.249967e+01  1.122000e+01
C     3.784700e+00  3.784500e+00  1.122000e+01
O     3.784700e+00  2.637833e+00  1.122000e+01
O     3.784700e+00  4.931167e+00  1.122000e+01
C     1.135200e+01  1.135240e+01  1.122000e+01
O     1.135200e+01  1.020573e+01  1.122000e+01
O     1.135200e+01  1.249907e+01  1.122000e+01
C     1.135300e+01  3.784820e+00  1.122210e+01
O     1.135300e+01  2.638153e+00  1.122210e+01
O     1.135300e+01  4.931487e+00  1.122210e+01
