10
Lattice="20.80888667818107 7.142720935889862e-21 3.410415237966398e-21 2.452108504361542e-16 20.330866437426337 2.239301305103802e-12 -1.1896395014306075e-14 5.609558402484873e-13 5.491729844809813" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-732.2025051971207 stress="0.0007849538272781483 8.425154107663027e-06 -3.223498772617443e-05 8.425154107663027e-06 0.0006756164889043338 -0.00011033834938712726 -3.223498772617443e-05 -0.00011033834938712726 -0.0001153709211838738" dipole="0.04303095945430999 0.26452899312755174 -17.745088838522673" magmom=-0.7729788663442674 free_energy=-732.2193717723294 pbc="F F T"
Br      10.25070104      13.27408272       3.11272681       1.00000000       0.00283004      -0.02870741       0.00366511       0.00022839
Ti       9.80175582       8.97827149       1.55663690       1.00000000       0.00674004       0.08281006       0.01035353       0.01767809
Ti      10.89187648      11.02198144       4.33801039       1.00000000       0.00901426       0.10339206       0.00654401       0.00036273
Br      11.74146530       7.38529613       1.95030039       1.00000000      -0.00792712      -0.01727593      -0.01610608      -0.24633039
Br       7.54121793       9.21862454       2.31023994       1.00000000       0.00095260      -0.00584690      -0.00501548      -0.01338183
Br       9.26221720       6.82907357       0.25619372       1.00000000       0.01959901      -0.01054594       0.00765258      -0.26609119
Br      10.27835230      13.30896164       0.35692758       1.00000000       0.00814026      -0.02239016      -0.00200553       0.00024433
Br      13.22260693      10.91852491      -0.80576791       1.00000000       0.00832161      -0.00851722       0.00228276      -0.00023998
O       10.57445836      10.04324505       2.91840629       1.00000000      -0.02135163      -0.04586352      -0.04871240      -0.00249562
O       10.07017598      10.05972289       5.64726876       1.00000000      -0.01713704      -0.04830428       0.04281603      -0.00073319