33 Lattice="20.46960845140505 0.0 0.0 0.0 20.399092709338877 0.0 0.0 0.0 24.117879951342434" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-2780.3472181999377 dipole="0.038297252281005854 0.04049480966782253 6.884933961799958" magmom=0.9465760275787749 free_energy=-2780.3662226287815 pbc="F F T" Br 11.92336528 8.70455721 3.01411276 1.00000000 -0.00441471 -0.00690888 0.00035117 -0.00760649 Br 10.61404540 8.03914341 -0.12346094 1.00000000 -0.00087775 0.00078717 -0.00148712 0.00311731 Br 8.47513241 8.32666093 3.01416084 1.00000000 0.00263361 0.00307441 0.00032970 -0.00537511 Ti 10.01403187 9.96381608 4.34330771 1.00000000 -0.00021962 0.00031763 -0.01430558 0.25386183 Ti 10.01410682 9.96390171 1.68512141 1.00000000 -0.00026810 0.00017522 0.01309859 0.25276228 Br 8.05674658 10.44486824 -0.12386568 1.00000000 0.00131777 -0.00100741 -0.00169422 0.00309175 Br 8.63926576 11.79164770 3.01410484 1.00000000 -0.00615618 -0.00480722 0.00039443 -0.00762248 Br 11.49367870 11.53623355 0.28914474 1.00000000 0.00227352 0.00252973 -0.00095645 0.00486433 H 10.84352068 10.84620246 3.01436545 1.00000000 -0.00280324 -0.00303573 -0.00043190 -0.00150938 Br 12.36312021 9.80536971 8.89831329 1.00000000 0.00000677 0.00025768 -0.00297038 0.00040834 Br 10.61414789 8.03936718 6.15201403 1.00000000 -0.00083118 0.00014507 0.00139341 0.00308732 Br 8.84490533 8.72070583 9.24712399 1.00000000 -0.00173597 -0.00187098 0.00045334 -0.00095385 Ti 10.39364388 10.36593854 10.42761985 1.00000000 0.00013311 0.00078855 -0.00166311 0.40191781 Ti 10.16741959 10.12597911 7.54069170 1.00000000 -0.00178070 -0.00125445 0.00243065 -0.25796608 Br 8.05696165 10.44500297 6.15244595 1.00000000 0.00072827 -0.00100770 0.00149277 0.00306207 Br 9.71521597 12.29823791 8.89853224 1.00000000 0.00006060 -0.00051721 -0.00306923 0.00038999 Br 11.49352543 11.53605478 5.73931696 1.00000000 0.00225882 0.00252014 0.00155312 0.00483656 Br 12.60967868 10.06266785 15.07327631 1.00000000 -0.00305795 0.00214893 -0.00002420 0.00292648 Br 11.10722755 8.47312420 12.10162801 1.00000000 0.00073724 0.00335430 0.00013961 -0.00396041 Br 9.04963637 8.93913076 15.07320105 1.00000000 0.00194826 0.00164056 -0.00052266 -0.00124563 Ti 10.50856195 10.48827059 16.47956234 1.00000000 0.00048347 0.00074960 0.00397307 0.01939291 Ti 10.50877909 10.48850321 13.66680640 1.00000000 -0.00076906 -0.00061366 -0.00319152 0.02174340 Br 8.46120678 10.96478664 12.10144299 1.00000000 0.00339656 0.00081477 0.00035971 -0.00395501 Br 9.95774202 12.56016572 15.07326591 1.00000000 0.00237852 -0.00325225 0.00000441 0.00287992 Br 11.87209263 11.93592292 11.93621327 1.00000000 0.00132499 0.00167445 -0.00130959 -0.00204247 Br 12.36283646 9.80535468 21.24818679 1.00000000 0.00108057 -0.00020186 0.00278391 0.00038337 Br 11.10710001 8.47301176 18.04475671 1.00000000 0.00109786 0.00314056 -0.00032718 -0.00394267 Br 8.84493640 8.72072693 20.89943282 1.00000000 -0.00095779 -0.00102716 -0.00045177 -0.00095817 Ti 10.16749681 10.12606902 22.60633698 1.00000000 -0.00338429 -0.00302734 -0.00182487 -0.25853892 Ti 10.39366425 10.36599879 19.71836562 1.00000000 -0.00052631 -0.00012534 0.00238473 0.40354154 Br 8.46108156 10.96464615 18.04493865 1.00000000 0.00312559 0.00117094 -0.00057654 -0.00393698 Br 9.71518314 12.29794985 21.24795937 1.00000000 -0.00052289 0.00068929 0.00297198 0.00036513 Br 11.87214399 11.93601616 18.21019369 1.00000000 0.00072870 0.00102835 0.00097694 -0.00203860