#VESTA_FORMAT_VERSION 3.1.9 MAGNETIC_CRYSTAL TITLE 5yOhtAoR GROUP 1 1 Custom SYMOP 0.000000 0.000000 0.000000 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 0.000000 0.000000 0.500000 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 -1.0 -1.0 -1.0 0 0 0 0 0 0 0 0 0 TRANM 0.000000 0.000000 0.000000 1 0 0 0 1 0 0 0 1 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 6.264600 9.111000 12.413600 90.000000 89.364998 90.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 Y Y1 1.0000 0.750000 0.750000 0.127000 4 - 0.000000 0.000000 0.000000 0.00 2 Ba Ba1 1.0000 0.736000 0.500000 0.376500 4 - 0.000000 0.000000 0.000000 0.00 3 Fe Fe1 1.0000 0.735000 0.130000 0.002000 4 - 0.000000 0.000000 0.000000 0.00 4 Fe Fe2 1.0000 0.491000 0.378000 0.135000 4 - 0.000000 0.000000 0.000000 0.00 5 Fe Fe3 1.0000 0.981000 0.369000 0.116000 4 - 0.000000 0.000000 0.000000 0.00 6 Fe Fe4 1.0000 0.774000 0.140000 0.234500 4 - 0.000000 0.000000 0.000000 0.00 7 O O1 1.0000 0.749000 0.500000 0.117500 4 - 0.000000 0.000000 0.000000 0.00 8 O O2 1.0000 0.735000 0.000000 0.124500 4 - 0.000000 0.000000 0.000000 0.00 9 O O3 1.0000 0.536000 0.264000 0.262500 4 - 0.000000 0.000000 0.000000 0.00 10 O O4 1.0000 0.947000 0.284000 0.468500 4 - 0.000000 0.000000 0.000000 0.00 11 O O5 1.0000 0.063000 0.214000 0.224500 4 - 0.000000 0.000000 0.000000 0.00 12 O O6 1.0000 0.470000 0.234000 0.021500 4 - 0.000000 0.000000 0.000000 0.00 13 O O7 1.0000 0.750000 0.007000 0.375000 4 - 0.000000 0.000000 0.000000 0.00 0 0 0 0 0 0 0 THERI 0 1 Y1 1.000000 2 Ba1 1.000000 3 Fe1 1.000000 4 Fe2 1.000000 5 Fe3 1.000000 6 Fe4 1.000000 7 O1 1.000000 8 O2 1.000000 9 O3 1.000000 10 O4 1.000000 11 O5 1.000000 12 O6 1.000000 13 O7 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 Fe O 0.00000 3.00000 0 1 1 0 1 0.250 1.000 180 180 180 0 0 0 0 SITET 1 Y1 1.4000 102 152 142 102 152 142 40 0 2 Ba1 1.3000 30 239 44 30 239 44 40 0 3 Fe1 1.2600 181 113 0 181 113 0 40 0 4 Fe2 1.2600 181 113 0 181 113 0 40 0 5 Fe3 1.2600 181 113 0 181 113 0 40 0 6 Fe4 1.2600 181 113 0 181 113 0 40 0 7 O1 0.6000 254 3 0 254 3 0 40 0 8 O2 0.6000 254 3 0 254 3 0 40 0 9 O3 0.6000 254 3 0 254 3 0 40 0 10 O4 0.6000 254 3 0 254 3 0 40 0 11 O5 0.6000 254 3 0 254 3 0 40 0 12 O6 0.6000 254 3 0 254 3 0 40 0 13 O7 0.6000 254 3 0 254 3 0 40 0 0 0 0 0 0 0 VECTR 1 0.00000 -2.63000 0.00000 0 3 0 0 0 0 0 0 0 0 0 2 0.00000 -3.11000 0.00000 0 4 0 0 0 0 0 0 0 0 0 3 0.00000 2.58000 0.00000 0 5 0 0 0 0 0 0 0 0 0 4 -1.20000 -1.66000 1.24000 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 VECTT 1 0.500 255 0 0 1 2 0.500 255 0 0 1 3 0.500 255 0 0 1 4 0.500 255 0 0 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 Y 1.4000 102 152 142 102 152 142 40 2 Ba 1.3000 30 239 44 30 239 44 40 3 Fe 1.2600 181 113 0 181 113 0 40 4 O 0.6000 254 3 0 254 3 0 40 0 0 0 0 0 0 SCENE -0.444239 -0.000832 0.895908 0.000000 0.125457 0.990089 0.063128 0.000000 -0.887081 0.140442 -0.439732 0.000000 0.000000 0.000000 0.000000 1.000000 0.000 0.000 0.000 1.100 HBOND 0 2 STYLE DISPF 147551 MODEL 2 1 0 SURFS 0 1 1 SECTS 96 1 FORMS 0 1 ATOMS 0 0 1 BONDS 1 POLYS 2 VECTS 0.482315 FORMP 1 1.0 0 0 0 ATOMP 24 24 0 50 2.0 0 BONDP 1 16 0.250 1.000 180 180 180 POLYP 40 1 1.000 0 0 0 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