#VESTA_FORMAT_VERSION 3.5.4 MAGNETIC_CRYSTAL TITLE 5yOhtAoR GROUP 2 4 P-1 PSPGR 14 1 P 2_1/c SYMOP 0.000000 0.000000 0.000000 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 -1.0 -1.0 -1.0 0 0 0 0 0 0 0 0 0 TRANM 0 -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 5.193400 5.356700 7.579100 90.000000 89.879997 90.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 Mn Mn1_1 1.0000 0.990400 0.053000 0.240200 2i 1 0.000000 0.000000 0.000000 0.00 2 Mn Mn1_2 1.0000 0.509600 0.553000 0.259800 2i 1 0.000000 0.000000 0.000000 0.00 3 Fe Fe1_1 0.9446 0.500000 0.000000 0.500000 1f -1 0.000000 0.000000 0.000000 0.00 4 Fe Fe1_2 0.9446 0.000000 0.500000 0.000000 1c -1 0.000000 0.000000 0.000000 0.00 5 Re Re1_1 0.0554 0.500000 0.000000 0.500000 1f -1 0.000000 0.000000 0.000000 0.00 6 Re Re1_2 0.0554 0.000000 0.500000 0.000000 1c -1 0.000000 0.000000 0.000000 0.00 7 Re Re2_1 0.9446 0.500000 0.000000 0.000000 1d -1 0.000000 0.000000 0.000000 0.00 8 Re Re2_2 0.9446 0.000000 0.500000 0.500000 1g -1 0.000000 0.000000 0.000000 0.00 9 Fe Fe2_1 0.0554 0.500000 0.000000 0.000000 1d -1 0.000000 0.000000 0.000000 0.00 10 Fe Fe2_2 0.0554 0.000000 0.500000 0.500000 1g -1 0.000000 0.000000 0.000000 0.00 11 O O1_1 1.0000 0.192600 0.191900 0.933300 2i 1 0.000000 0.000000 0.000000 0.00 12 O O1_2 1.0000 0.307400 0.691900 0.566700 2i 1 0.000000 0.000000 0.000000 0.00 13 O O2_1 1.0000 0.173600 0.186500 0.560200 2i 1 0.000000 0.000000 0.000000 0.00 14 O O2_2 1.0000 0.326400 0.686500 0.939800 2i 1 0.000000 0.000000 0.000000 0.00 15 O O3_1 1.0000 0.380000 0.942000 0.248900 2i 1 0.000000 0.000000 0.000000 0.00 16 O O3_2 1.0000 0.120000 0.442000 0.251100 2i 1 0.000000 0.000000 0.000000 0.00 0 0 0 0 0 0 0 THERI 1 1 Mn1_1 0.000000 2 Mn1_2 0.000000 3 Fe1_1 0.000000 4 Fe1_2 0.000000 5 Re1_1 0.000000 6 Re1_2 0.000000 7 Re2_1 0.000000 8 Re2_2 0.000000 9 Fe2_1 0.000000 10 Fe2_2 0.000000 11 O1_1 0.000000 12 O1_2 0.000000 13 O2_1 0.000000 14 O2_2 0.000000 15 O3_1 0.000000 16 O3_2 0.000000 0 0 0 SHAPE 0 0 0 0 0.000000 0 192 192 192 192 BOUND -0.1 1.1 -0.1 1.1 0 1 0 0 0 0 0 SBOND 1 Fe O 0.00000 2.44693 0 1 1 0 1 0.250 2.000 127 127 127 2 Re O 0.00000 2.34260 0 1 1 0 1 0.250 2.000 127 127 127 0 0 0 0 SITET 1 Mn1_1 1.0000 168 8 158 168 8 158 60 0 2 Mn1_2 1.0000 168 8 158 168 8 158 60 0 3 Fe1_1 1.2600 181 113 0 181 113 0 60 0 4 Fe1_2 1.2600 181 113 0 181 113 0 60 0 5 Re1_1 1.1000 179 176 142 179 176 142 60 0 6 Re1_2 1.1000 179 176 142 179 176 142 60 0 7 Re2_1 1.1000 179 176 142 179 176 142 60 0 8 Re2_2 1.1000 179 176 142 179 176 142 60 0 9 Fe2_1 1.2600 181 113 0 181 113 0 60 0 10 Fe2_2 1.2600 181 113 0 181 113 0 60 0 11 O1_1 0.4000 254 3 0 254 3 0 60 0 12 O1_2 0.4000 254 3 0 254 3 0 60 0 13 O2_1 0.4000 254 3 0 254 3 0 60 0 14 O2_2 0.4000 254 3 0 254 3 0 60 0 15 O3_1 0.4000 254 3 0 254 3 0 60 0 16 O3_2 0.4000 254 3 0 254 3 0 60 0 0 0 0 0 0 0 VECTR 1 1.16000 -1.46000 1.07000 0 1 0 0 0 0 0 0 0 0 0 2 -1.16000 1.46000 -1.07000 0 2 0 0 0 0 0 0 0 0 0 3 3.27000 0.00000 3.27000 0 3 0 0 0 0 0 0 0 0 0 4 3.27000 0.00000 3.27000 0 4 0 0 0 0 0 0 0 0 0 5 -0.14500 0.00000 -0.14500 0 7 0 0 0 0 0 0 0 0 0 6 -0.14500 0.00000 -0.14500 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 VECTT 1 0.500 255 0 0 3 2 0.500 255 0 0 3 3 0.500 255 0 0 3 4 0.500 255 0 0 3 5 0.500 255 0 0 3 6 0.500 255 0 0 3 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 Mn 1.0000 168 8 158 168 8 158 60 2 Fe 1.2600 181 113 0 181 113 0 60 3 Re 1.1000 179 176 142 179 176 142 60 4 O 0.4000 254 3 0 254 3 0 60 0 0 0 0 0 0 SCENE -0.892882 0.450084 -0.013638 0.000000 -0.047994 -0.065009 0.996730 0.000000 0.447725 0.890617 0.079646 0.000000 0.000000 0.000000 0.000000 1.000000 0.000 0.000 0.000 1.078 HBOND 0 2 STYLE DISPF 37753794 MODEL 2 1 0 SURFS 0 1 1 SECTS 32 1 FORMS 0 1 ATOMS 0 0 1 BONDS 1 POLYS 3 VECTS 0.324022 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 60 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 0.00000E+00 0.00000E+00 0.00000E+00 CONTR 0.1 -1 1 1 10 -1 2 5 2 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 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 SECCL 0 TEXCL 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