17
Lattice="20.46960845140505 1.1893254258812142e-30 -3.5970885718285844e-27 -5.735449036950973e-19 20.399092709338742 -9.558476996325119e-15 -2.949222053482928e-18 -1.2286474629871025e-14 12.036865091770517" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-1391.6682169562273 stress="0.0006046945336511018 3.965236222762939e-05 6.009331008027927e-07 3.965236222762939e-05 0.0006078213336096401 6.339994612753328e-07 6.009331008027927e-07 6.339994612753328e-07 2.1612797164794928e-05" dipole="0.00815148325469571 0.008497478007762262 0.8894078237765422" magmom=0.0054098700570693 free_energy=-1391.6851509733542 pbc="F F T"
Br      12.20560146       9.00163012       3.00784398       1.00000000      -0.00044333       0.00101370       0.00119857      -0.00001539
Br      10.85005503       8.26341602      -0.07288098       1.00000000       0.00037797       0.00261099      -0.00038728       0.00000927
Br       8.74611522       8.61964004       3.00830782       1.00000000       0.00063190      -0.00095543       0.00027044      -0.00001800
Ti      10.28410385      10.24816922       4.32423978       1.00000000       0.00079290      -0.00243080       0.04560932       0.00085095
Ti      10.28473276      10.24882074       1.69342296       1.00000000      -0.00042525      -0.00368527      -0.04753688       0.00092266
Br       8.27036570      10.69504112      -0.07205582       1.00000000       0.00124010       0.00374555      -0.00004899       0.00000883
Br       8.93028266      12.09592312       3.00784825       1.00000000      -0.00102977      -0.00223265       0.00118355      -0.00001594
Br      11.71390079      11.76346926       0.15660226       1.00000000      -0.00428992      -0.00330230       0.00330193      -0.00000686
H       11.13349191      11.14762680       3.00977848       1.00000000       0.00495445       0.00476293      -0.00243212      -0.00001310
Br      12.38970084       9.87699262       9.02673884       1.00000000      -0.00725812      -0.00405024      -0.00010718       0.00000314
Br      10.85064139       8.26329736       6.08939715       1.00000000      -0.00038849       0.00264691       0.00059970       0.00000540
Br       8.88553803       8.76650959       9.02632621       1.00000000       0.00312960       0.00013449       0.00056161      -0.00002389
Ti      10.31038231      10.27533133      10.52942928       1.00000000       0.00328281       0.00233143       0.01149675       0.00131390
Ti      10.31064441      10.27562479       7.52364742       1.00000000       0.00299988       0.00202450      -0.01060727       0.00165100
Br       8.27017984      10.69562978       6.08859234       1.00000000       0.00140020       0.00297589       0.00021938       0.00000519
Br       9.78882884      12.32713816       9.02672706       1.00000000      -0.00263356      -0.00467192      -0.00004076       0.00000276
Br      11.71388330      11.76345558       5.86010015       1.00000000      -0.00397724      -0.00296364      -0.00325891      -0.00000889