16 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=-24.4310185137 stress="-0.012251151928460205 0.007245952277002317 0.01013086404883047 0.007245952277002317 -0.17880679893405088 0.05323040034463137 0.01013086404883047 0.05323040034463137 -0.020413409623644935" pbc="F F F" O -0.03759768 -0.08338442 -0.03487808 0.21796220 -0.40642238 1.50133950 O 1.72586561 1.79391194 1.22614529 -2.72530738 -2.41940734 4.06103513 O 2.97564087 -0.14910707 0.18220204 -0.67222994 -2.01216140 -3.21121633 O 4.39362841 1.73573857 1.52724172 1.72320763 -1.67567738 2.20550282 O -0.02472127 2.70296332 -0.15112699 -0.94093826 0.59908071 -0.92407608 Ti 1.72083292 4.41946165 1.48735431 1.09438742 1.36392821 1.55254894 O 2.92299150 2.90698366 0.18107110 2.02836002 4.39565426 -4.28580256 Ti 4.32825321 4.50528338 1.75715656 -0.67697817 1.31118183 0.79182602 Ti 0.02685602 -0.10298648 3.25226748 1.10943958 0.05818786 -1.92165648 O 1.46431997 1.84164955 4.57236142 -0.12515602 0.20109957 0.50555431 Ti 3.18653028 0.23854596 2.62987847 0.43707664 -0.78976648 3.02210813 O 4.45319307 1.52031036 4.65756468 -0.66146489 -0.82823468 -0.06423427 Ti 0.02015752 2.58191095 3.27711528 0.28858945 0.27115016 1.52349861 Ti 1.37871118 4.25213077 4.23125112 -0.12499597 -0.94424067 -1.82560790 Ti 2.71824351 3.13616082 2.76429260 -0.97937508 0.42560417 -2.13005455 Ti 4.34724103 4.57521959 4.69894803 0.00742278 0.45002354 -0.80076529