#VESTA_FORMAT_VERSION 3.3.0 MAGNETIC_CRYSTAL TITLE 5yOhtAoR GROUP 14 80 P_a2_1/c PSPGR 62 1 P n m a SYMOP 0.000000 0.000000 0.000000 1 0 0 0 1 0 0 0 1 1 0.500000 0.250000 0.750000 1 0 0 0 -1 0 0 0 -1 1 0.000000 0.000000 0.000000 -1 0 0 0 -1 0 0 0 -1 1 0.500000 0.250000 0.750000 -1 0 0 0 1 0 0 0 1 1 0.000000 0.500000 0.000000 1 0 0 0 1 0 0 0 1 -1 0.500000 0.750000 0.750000 1 0 0 0 -1 0 0 0 -1 -1 0.000000 0.500000 0.000000 -1 0 0 0 -1 0 0 0 -1 -1 0.500000 0.750000 0.750000 -1 0 0 0 1 0 0 0 1 -1 0.000000 0.500000 0.500000 1 0 0 0 1 0 0 0 1 1 0.500000 0.750000 0.250000 1 0 0 0 -1 0 0 0 -1 1 0.000000 0.500000 0.500000 -1 0 0 0 -1 0 0 0 -1 1 0.500000 0.750000 0.250000 -1 0 0 0 1 0 0 0 1 1 0.000000 0.000000 0.500000 1 0 0 0 1 0 0 0 1 -1 0.500000 0.250000 0.250000 1 0 0 0 -1 0 0 0 -1 -1 0.000000 0.000000 0.500000 -1 0 0 0 -1 0 0 0 -1 -1 0.500000 0.250000 0.250000 -1 0 0 0 1 0 0 0 1 -1 -1.0 -1.0 -1.0 0 0 0 0 0 0 0 0 0 TRANM 1 -0.000000 -0.000000 0.000000 0 1 0 1 0 0 1 0 -2 LTRANSL -1 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 LORIENT -1 0 0 0 0 1.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 1.000000 LMATRIX 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 CELLP 12.176000 11.310000 14.260000 90.000000 90.000000 90.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 Ba Ba1 1.0000 0.095200 0.125000 0.034920 16e 1 0.000000 0.000000 0.000000 0.00 2 Y Y1 1.0000 0.426180 0.125000 0.447950 16e 1 0.000000 0.000000 0.000000 0.00 3 Y Y2 1.0000 0.211730 0.125000 0.308150 16e 1 0.000000 0.000000 0.000000 0.00 4 Cu Cu1 1.0000 0.840500 0.125000 0.106300 16e 1 0.000000 0.000000 0.000000 0.00 5 O O1_1 1.0000 0.568100 0.253500 0.417250 16e 1 0.000000 0.000000 0.000000 0.00 6 O O1_2 1.0000 0.931900 0.746500 0.667250 16e 1 0.000000 0.000000 0.000000 0.00 7 O O2_1 1.0000 0.771200 0.251500 0.321600 16e 1 0.000000 0.000000 0.000000 0.00 8 O O2_2 1.0000 0.728800 0.748500 0.571600 16e 1 0.000000 0.000000 0.000000 0.00 9 O O3 1.0000 0.900000 0.125000 0.461000 16e 1 0.000000 0.000000 0.000000 0.00 0 0 0 0 0 0 0 THERI 0 1 Ba1 1.000000 2 Y1 1.000000 3 Y2 1.000000 4 Cu1 1.000000 5 O1_1 1.000000 6 O1_2 1.000000 7 O2_1 1.000000 8 O2_2 1.000000 9 O3 1.000000 0 0 0 SHAPE 0 0 0 0 0.000000 0 192 192 192 192 BOUND 0 1 0 1 0 1 0 0 0 0 0 SBOND 1 Cu O 0.00000 2.47295 0 1 1 0 1 0.250 2.000 127 127 127 2 Y O 0.00000 2.62549 0 1 1 0 1 0.250 2.000 127 127 127 0 0 0 0 SITET 1 Ba1 1.4000 30 239 44 30 239 44 80 0 2 Y1 1.2000 102 152 142 102 152 142 80 0 3 Y2 1.2000 102 152 142 102 152 142 80 0 4 Cu1 1.2000 34 2 220 34 71 220 80 0 5 O1_1 0.6000 254 3 0 254 3 0 80 0 6 O1_2 0.6000 254 3 0 254 3 0 80 0 7 O2_1 0.6000 254 3 0 254 3 0 80 0 8 O2_2 0.6000 254 3 0 254 3 0 80 0 9 O3 0.6000 254 3 0 254 3 0 80 0 0 0 0 0 0 0 VECTR 1 0.00000 0.00000 0.55000 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 VECTT 1 0.500 0 0 255 1 0 0 0 0 0 SPLAN 0 0 0 0 LBLAT -1 LBLSP -1 DLATM -1 DLBND -1 DLPLY -1 PLN2D 0 0 0 0 ATOMT 1 Ba 1.4000 30 239 44 30 239 44 80 2 Y 1.2000 102 152 142 102 152 142 80 3 Cu 1.2000 34 2 220 34 71 220 80 4 O 0.6000 254 3 0 254 3 0 80 0 0 0 0 0 0 SCENE 0.985095 -0.171897 0.006316 0.000000 0.015206 0.123598 0.992216 0.000000 -0.171340 -0.977331 0.124369 0.000000 0.000000 0.000000 0.000000 1.000000 0.000 0.000 0.000 1.115 HBOND 0 2 STYLE DISPF 37753794 MODEL 0 1 0 SURFS 0 1 1 SECTS 96 1 FORMS 0 1 ATOMS 0 0 1 BONDS 1 POLYS 2 VECTS 2.727273 FORMP 1 1.0 0 0 0 ATOMP 24 24 0 50 2.0 0 BONDP 1 16 0.250 2.000 127 127 127 POLYP 80 1 1.000 143 143 143 ISURF 0 0 0 0 TEX3P 1 0.00000E+00 1.00000E+00 SECTP 1 0.00000E+00 1.00000E+00 0.00000E+00 HKLPP 192 1 1.000 255 0 255 UCOLP 0 1 1.000 0 0 0 COMPS 1 LABEL 1 12 1.000 0 PROJT 0 0.962 BKGRC 255 255 255 DPTHQ 1 -0.5000 3.5000 LIGHT0 1 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 20.000000 0.000000 0.000000 0.000000 -1.000000 26 26 26 255 179 179 179 255 255 255 255 255 LIGHT1 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 20.000000 0.000000 0.000000 0.000000 -1.000000 0 0 0 0 0 0 0 0 0 0 0 0 LIGHT2 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 20.000000 0.000000 0.000000 0.000000 -1.000000 0 0 0 0 0 0 0 0 0 0 0 0 LIGHT3 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 20.000000 0.000000 0.000000 0.000000 -1.000000 0 0 0 0 0 0 0 0 0 0 0 0 ATOMM 204 204 204 255 25.600 BONDM 255 255 255 255 128.000 POLYM 255 255 255 255 128.000 SURFM 0 0 0 255 128.000 FORMM 255 255 255 255 128.000 HKLPM 255 255 255 255 128.000