33 Lattice="19.495880759679295 0.0 0.0 0.0 19.892853390846533 0.0 0.0 0.0 22.905894733917687" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-1345.2258451702287 dipole="0.1005940873138061 0.06880467437542019 26.969745148203764" magmom=0.0 free_energy=-1345.264212168217 pbc="F F T" Cl 7.77232125 8.61775870 2.86750930 0.00000000 0.00019067 0.00344190 -0.00072338 0.00000000 Cl 7.84954772 10.64768553 -0.14481885 0.00000000 0.00294317 -0.00308052 -0.00171451 0.00000000 Cl 8.59152825 11.68578799 2.86737075 0.00000000 0.00299407 -0.00122258 0.00035867 0.00000000 Cl 10.92109821 8.21021348 2.86749652 0.00000000 -0.00380428 0.00188295 -0.00115028 0.00000000 Ti 9.51345245 9.78499291 4.13671927 0.00000000 0.00600783 -0.00035504 -0.03095561 0.00000000 Cl 11.19131276 10.89110616 0.20727683 0.00000000 -0.00568723 -0.00236912 -0.00064587 0.00000000 Cl 9.66345619 7.91125357 -0.14231004 0.00000000 -0.00212185 0.00523366 -0.00009094 0.00000000 Ti 9.51314417 9.78517143 1.59788930 0.00000000 0.00515600 -0.00214709 0.02723365 0.00000000 H 10.57491283 10.49789370 2.86681861 0.00000000 -0.00021423 -0.00468902 0.00144179 0.00000000 Cl 8.18891880 8.90419318 8.79981138 0.00000000 -0.00215803 -0.00168172 -0.00396951 0.00000000 Cl 7.84886664 10.64578871 5.87902219 0.00000000 0.00025032 -0.00034763 0.00006982 0.00000000 Cl 9.72579040 11.94149349 8.50429743 0.00000000 0.00029663 -0.00066301 -0.00112265 0.00000000 Cl 11.58395071 9.12870244 8.50779132 0.00000000 0.00037464 0.00385012 -0.00486268 0.00000000 Ti 9.92551750 10.05478545 9.97003014 0.00000000 -0.00081968 0.00318550 -0.01611273 0.00000000 Cl 11.19105623 10.89214682 5.52658892 0.00000000 -0.00686205 -0.00261987 0.00269816 0.00000000 Cl 9.66458795 7.91151617 5.87683281 0.00000000 -0.00152784 0.00001872 -0.00142005 0.00000000 Ti 9.68654787 9.89430839 7.16304290 0.00000000 0.00383874 0.00361798 0.03311531 0.00000000 Cl 8.42133478 9.06138438 14.31998313 0.00000000 -0.00312081 -0.00146817 0.00016018 0.00000000 Cl 8.27964996 11.01187758 11.50675346 0.00000000 0.00335016 -0.00142850 -0.00451319 0.00000000 Cl 9.98626476 12.11242148 14.31975849 0.00000000 0.00354240 -0.00392882 -0.00029501 0.00000000 Cl 11.84070605 9.31768242 14.31960868 0.00000000 0.00499465 -0.00072408 -0.00100642 0.00000000 Ti 10.05203901 10.14214779 15.72509585 0.00000000 -0.00201994 0.00297465 -0.02538949 0.00000000 Cl 11.61333365 11.17562041 11.35565064 0.00000000 0.00091623 0.00025110 -0.00328958 0.00000000 Cl 10.16337226 8.16949464 11.50957305 0.00000000 0.00028237 -0.00112347 -0.00226439 0.00000000 Ti 10.05148546 10.14227215 12.91403987 0.00000000 -0.00300239 0.00223537 0.02898384 0.00000000 Cl 8.18840633 8.90549438 19.83983713 0.00000000 0.00113565 0.00004111 0.00316749 0.00000000 Cl 8.28128639 11.01289748 17.13320382 0.00000000 0.00258984 -0.00152626 0.00393134 0.00000000 Cl 9.72840414 11.94167736 20.13550190 0.00000000 -0.00008803 -0.00261760 0.00088778 0.00000000 Cl 11.58412000 9.12719267 20.13250298 0.00000000 -0.00228279 0.00513655 0.00336913 0.00000000 Ti 9.68678470 9.89428806 21.47650135 0.00000000 0.00174668 0.00132763 -0.03080110 0.00000000 Cl 11.61506415 11.17493335 17.28354222 0.00000000 -0.00223194 -0.00204521 0.00348996 0.00000000 Cl 10.16348577 8.16934933 17.13014681 0.00000000 0.00014546 0.00023468 0.00173136 0.00000000 Ti 9.92659252 10.05481520 18.66948854 0.00000000 -0.00042388 0.00213634 0.01944058 0.00000000