17
Lattice="20.80888667818107 8.736803738060263e-22 2.2972645026095486e-22 -6.10556104751749e-16 20.330866437425033 5.80127381697829e-14 -1.5783874279359052e-17 -1.1779346032430501e-13 12.18600840310653" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-1408.4000628415101 stress="0.0006599024788162522 1.0446655266806655e-05 -1.7934727592702425e-06 1.0446655266806655e-05 0.000536842855442369 2.6812155852053322e-05 -1.7934727592702425e-06 2.6812155852053322e-05 -2.7826011440054496e-06" dipole="0.01371842474157929 0.007831330996638318 4.083048208804854" magmom=0.0 free_energy=-1408.4027779768937 pbc="F F T"
Br      10.61978243      13.18328507       3.56627622       0.00000000      -0.00356381       0.00414890      -0.00246820       0.00000000
Ti      10.70879741       9.29479626       1.65856087       0.00000000       0.00298925      -0.00201696       0.00234331       0.00000000
Ti      10.54871395      10.95179168       4.40927700       0.00000000       0.00123772      -0.00140270      -0.00502663       0.00000000
Br      11.17086095       7.10129879       2.47682076       0.00000000       0.00269404       0.00642077       0.00032692       0.00000000
Br       8.51910509       9.92444164       3.01642262       0.00000000      -0.00437459      -0.00118842       0.00015250       0.00000000
Br       9.30368521       8.06881042      -0.30586109       0.00000000      -0.00713427      -0.00543128      -0.00284044       0.00000000
Br       9.81373990      11.50626280       0.21496790       0.00000000      -0.00199297       0.00279574      -0.00266768       0.00000000
Br      12.61701086       9.51206574      -0.01173894       0.00000000      -0.00234888      -0.00041474       0.00070579       0.00000000
O       11.47519054      10.19511268       3.03136968       0.00000000      -0.00266961      -0.00124785      -0.00029584       0.00000000
Br      11.39978982      12.02002451       9.32884156       0.00000000       0.00183145      -0.00354890       0.00170592       0.00000000
Ti      10.45836182      10.31438689       7.67810088       0.00000000       0.00045944       0.00057827       0.00827820       0.00000000
Ti      10.49158745       9.91555433      10.52452410       0.00000000       0.00608882       0.00246010      -0.00405559       0.00000000
Br      11.79949531       8.46371184       8.88663920       0.00000000      -0.00323552      -0.00138342       0.00101665       0.00000000
Br       8.39253033       9.89003276       9.09773293       0.00000000       0.00018658       0.00622891      -0.00035565       0.00000000
Br      10.08991116       8.60238709       5.82541287       0.00000000       0.00097653      -0.00336040       0.00062797       0.00000000
Br       8.91857209      11.89206050       6.32585951       0.00000000       0.00221320      -0.00393595       0.00343723       0.00000000
Br      12.47353872      11.11019811       6.06204081       0.00000000       0.00224353       0.00367606      -0.00045745       0.00000000