17 Lattice="19.495880759679295 3.725711923878529e-31 6.117631805747148e-32 -4.7526786348101514e-17 19.892853390846618 7.797791152991953e-15 -1.9438066324412065e-28 1.967178578951083e-14 11.501293633929311" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-674.0502217690649 stress="0.0006550508139878133 3.693995625714514e-05 -8.656962699010705e-07 3.693995625714514e-05 0.0006252681447570493 -5.020668324895734e-07 -8.656962699010705e-07 -5.020668324895734e-07 -1.8438278915192116e-05" dipole="0.06502244779944424 0.03989634317172887 3.4683146819275907" magmom=0.0 free_energy=-674.0632754326655 pbc="F F T" Cl 8.07594323 8.82927133 2.88316139 0.00000000 0.00340290 -0.00264968 0.00010489 0.00000000 Cl 8.09474349 10.80961261 -0.06761123 0.00000000 -0.00561100 0.00320420 -0.00073992 0.00000000 Cl 8.92917190 11.89040563 2.88335204 0.00000000 -0.00195151 -0.00359326 0.00021489 0.00000000 Cl 11.22369598 8.39919061 2.88358550 0.00000000 0.00249098 0.00171212 0.00017978 0.00000000 Ti 9.81656031 9.97325398 4.16294575 0.00000000 -0.00226845 -0.00165641 0.02643408 0.00000000 Cl 11.43297311 11.04826800 0.12888831 0.00000000 0.00975549 0.00498763 0.00117822 0.00000000 Cl 9.92029931 8.06287246 -0.07071995 0.00000000 -0.00331061 -0.00537914 0.00270512 0.00000000 Ti 9.81654682 9.97285209 1.60320146 0.00000000 -0.00213390 -0.00086371 -0.02523574 0.00000000 H 10.88645724 10.67727343 2.88260318 0.00000000 -0.00193525 -0.00144911 0.00169012 0.00000000 Cl 8.25201318 8.93478238 8.63446056 0.00000000 -0.00525716 -0.00175674 -0.00053708 0.00000000 Cl 8.09467261 10.80955905 5.83467728 0.00000000 -0.00583971 0.00436651 -0.00000393 0.00000000 Cl 9.79693230 11.95775785 8.63424680 0.00000000 -0.00107860 0.00743945 -0.00032488 0.00000000 Cl 11.63771771 9.19324224 8.63412401 0.00000000 0.00635178 -0.00540967 -0.00057918 0.00000000 Ti 9.85282787 9.99946220 10.08053627 0.00000000 -0.00002551 0.00173287 0.01647819 0.00000000 Cl 11.43271612 11.04798288 5.63771541 0.00000000 0.01016936 0.00519984 -0.00053617 0.00000000 Cl 9.91902721 8.06324198 5.83755962 0.00000000 -0.00201853 -0.00634381 -0.00301949 0.00000000 Ti 9.85250369 9.99940411 7.18807755 0.00000000 -0.00000407 0.00184306 -0.01812030 0.00000000