16
Lattice="9.001700468404715 -5.1192780313629123e-17 -5.126578929606404e-17 4.300030477981975e-16 6.318449108997795 9.230188778930136e-07 4.1276721390296867e-16 9.303810012349603e-07 6.94973929495396" Properties=species:S:1:pos:R:3:forces:R:3 energy=654.2248722064338 stress="-1.7234220102312334e-05 0.0 0.0 0.0 8.95362618488953e-05 1.8373803820024755e-08 0.0 1.8373803820024755e-08 -4.520191277164641e-05" pbc="T T T"
Ti       4.50085023       1.31622135       3.35708799       0.00000000       0.00872184      -0.00058814
Ti       0.00000000       5.00221715      -0.11777712      -0.00000000      -0.00873029      -0.00059406
Ba       4.50085023       4.80584209       6.67004377      -0.00000000      -0.00093055      -0.00760019
Ba       0.00000000       1.51259904       3.19517303      -0.00000000       0.00093034      -0.00759826
Cu       6.73648004       4.22100545       3.55211161      -0.00138202       0.00294149      -0.00119885
Cu       2.26522042       4.22100545       3.55211161       0.00138202       0.00294149      -0.00119885
Cu       6.76607055       2.09743353       7.02698089       0.00138311      -0.00293808      -0.00120460
Cu       2.23562992       2.09743353       7.02698089      -0.00138311      -0.00293808      -0.00120460
Se       4.50085023       1.61233497       0.94116448       0.00000000      -0.00179944      -0.00037378
Se       0.00000000       4.70610417       4.41603644       0.00000000       0.00180108      -0.00036048
Se       4.50085023       5.26252063       3.52886322       0.00000000       0.00298946       0.00780649
Se       0.00000000       1.05591733       0.05399342       0.00000000      -0.00298369       0.00780740
Se       7.19429537       4.18200330       1.19236395      -0.00003385      -0.00184905       0.00146706
Se       1.80740509       4.18200330       1.19236395       0.00003385      -0.00184905       0.00146706
Se       6.30825476       2.13643386       4.66723143       0.00003474       0.00184973       0.00147064
Se       2.69344571       2.13643386       4.66723143      -0.00003474       0.00184973       0.00147064