#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 0.250000 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 0.250000 1.250000 0.750000 -1 0 0 0 1 0 0 0 1 1 0.500000 0.000000 0.500000 1 0 0 0 1 0 0 0 1 1 0.750000 0.750000 0.750000 -1 0 0 0 1 0 0 0 1 1 0.500000 0.500000 0.000000 1 0 0 0 1 0 0 0 1 1 0.750000 1.250000 0.250000 -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 0.250000 1.250000 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 0.250000 0.750000 0.750000 -1 0 0 0 1 0 0 0 1 -1 0.500000 0.500000 0.500000 1 0 0 0 1 0 0 0 1 -1 0.750000 1.250000 0.750000 -1 0 0 0 1 0 0 0 1 -1 0.500000 0.000000 0.000000 1 0 0 0 1 0 0 0 1 -1 0.750000 0.750000 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 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 23.766899 10.828200 18.281700 90.000000 90.000000 90.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 Ba Ba1_1 1.0000 0.093000 0.125000 0.258500 16 - 0.000000 0.000000 0.000000 0.00 2 Ba Ba1_2 1.0000 0.907000 0.375000 0.741500 16 - 0.000000 0.000000 0.000000 0.00 3 Fe Fe1_1 1.0000 0.246350 0.001000 0.176750 16 - 0.000000 0.000000 0.000000 0.00 4 Fe Fe1_2 1.0000 0.003650 0.999000 0.426750 16 - 0.000000 0.000000 0.000000 0.00 5 Fe Fe1_3 1.0000 0.753650 0.251000 0.823250 16 - 0.000000 0.000000 0.000000 0.00 6 Fe Fe1_4 1.0000 0.496350 0.249000 0.073250 16 - 0.000000 0.000000 0.000000 0.00 7 Se Se1_1 1.0000 0.177500 0.125000 0.116500 16 - 0.000000 0.000000 0.000000 0.00 8 Se Se1_2 1.0000 0.822500 0.375000 0.883500 16 - 0.000000 0.000000 0.000000 0.00 9 Se Se2_1 1.0000 0.314500 0.125000 0.245000 16 - 0.000000 0.000000 0.000000 0.00 10 Se Se2_2 1.0000 0.685500 0.375000 0.755000 16 - 0.000000 0.000000 0.000000 0.00 11 Se Se3_1 1.0000 0.201000 0.125000 0.409000 16 - 0.000000 0.000000 0.000000 0.00 12 Se Se3_2 1.0000 0.799000 0.375000 0.591000 16 - 0.000000 0.000000 0.000000 0.00 0 0 0 0 0 0 0 THERI 0 1 Ba1_1 1.000000 2 Ba1_2 1.000000 3 Fe1_1 1.000000 4 Fe1_2 1.000000 5 Fe1_3 1.000000 6 Fe1_4 1.000000 7 Se1_1 1.000000 8 Se1_2 1.000000 9 Se2_1 1.000000 10 Se2_2 1.000000 11 Se3_1 1.000000 12 Se3_2 1.000000 0 0 0 SHAPE 0 0 0 0 0.000000 0 192 192 192 192 BOUND -0.05 1.01 -0.05 1.01 -0.01 1.01 0 0 0 0 0 SBOND 1 Fe Se 0.00000 3.00000 0 1 1 0 1 0.350 1.000 180 180 180 0 0 0 0 SITET 1 Ba1_1 1.5000 30 239 44 30 239 44 40 0 2 Ba1_2 1.5000 30 239 44 30 239 44 40 0 3 Fe1_1 1.2600 181 113 0 181 113 0 40 0 4 Fe1_2 1.2600 181 113 0 181 113 0 40 0 5 Fe1_3 1.2600 181 113 0 181 113 0 40 0 6 Fe1_4 1.2600 181 113 0 181 113 0 40 0 7 Se1_1 1.0400 154 239 15 154 239 15 40 0 8 Se1_2 1.0400 154 239 15 154 239 15 40 0 9 Se2_1 1.0400 154 239 15 154 239 15 40 0 10 Se2_2 1.0400 154 239 15 154 239 15 40 0 11 Se3_1 1.0400 154 239 15 154 239 15 40 0 12 Se3_2 1.0400 154 239 15 154 239 15 40 0 0 0 0 0 0 0 VECTR 1 2.80000 0.00000 0.00000 0 3 0 0 0 0 0 0 0 0 0 2 -2.80000 0.00000 0.00000 0 4 0 0 0 0 0 0 0 0 0 3 -2.80000 0.00000 0.00000 0 5 0 0 0 0 0 0 0 0 0 4 -2.80000 0.00000 0.00000 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 VECTT 1 0.800 255 0 0 1 2 0.800 255 0 0 1 3 0.800 255 0 0 1 4 0.800 255 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 Ba 1.5000 30 239 44 30 239 44 40 2 Fe 1.2600 181 113 0 181 113 0 40 3 Se 1.0400 154 239 15 154 239 15 40 0 0 0 0 0 0 SCENE -0.019862 -0.362417 0.931804 0.000000 0.992623 -0.118637 -0.024984 0.000000 0.119601 0.924435 0.362100 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 0 1 0 SURFS 0 1 1 SECTS 96 1 FORMS 0 1 ATOMS 0 0 1 BONDS 1 POLYS 1 VECTS 0.800000 FORMP 1 1.7 0 0 0 ATOMP 24 24 0 50 2.0 0 BONDP 1 16 0.350 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 1.700 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