#VESTA_FORMAT_VERSION 3.5.4 MAGNETIC_CRYSTAL TITLE "Ni1 Cr1 O4" GROUP 63 457 Cmcm PSPGR 63 1 C m c m 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 0.000000 0.000000 0.500000 -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 0.000000 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 0.000000 0.000000 0.500000 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 0.500000 0.000000 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 0.500000 0.500000 0.500000 -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 0.500000 0.500000 0.000000 -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 0.500000 0.500000 0.500000 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 -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 5.484000 8.220000 6.127000 90.000000 90.000000 90.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 Ni Ni1 1.0000 0.000000 0.000000 0.000000 4a 2/m.. 0.000000 0.000000 0.000000 0.00 2 Cr Cr1 1.0000 0.000000 0.350000 0.250000 4c m2m 0.000000 0.000000 0.000000 0.00 3 O O1 1.0000 0.000000 0.239000 0.036000 8f m.. 0.000000 0.000000 0.000000 0.00 4 O O2 1.0000 0.268000 0.469000 0.250000 8g ..m 0.000000 0.000000 0.000000 0.00 0 0 0 0 0 0 0 THERI 1 1 Ni1 0.000000 2 Cr1 0.000000 3 O1 0.000000 4 O2 0.000000 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 Cr O 0.00000 2.44293 0 1 1 0 1 0.250 2.000 127 127 127 2 Ni O 0.00000 2.28149 0 1 1 0 1 0.250 2.000 127 127 127 0 0 0 0 SITET 1 Ni1 1.1000 183 187 189 183 187 189 100 0 2 Cr1 1.1000 0 0 158 0 0 158 100 0 3 O1 0.4000 254 3 0 254 3 0 100 0 4 O2 0.4000 254 3 0 254 3 0 100 0 0 0 0 0 0 0 VECTR 1 0.64000 0.00000 0.00000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 VECTT 1 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 Ni 1.1000 183 187 189 183 187 189 100 2 Cr 1.1000 0 0 158 0 0 158 100 3 O 0.4000 254 3 0 254 3 0 100 0 0 0 0 0 0 SCENE -0.596207 0.802150 -0.033073 0.000000 -0.222904 -0.125819 0.966687 0.000000 0.771266 0.583717 0.253817 0.000000 0.000000 0.000000 0.000000 1.000000 0.000 0.000 0.000 0.853 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 2 VECTS 2.343750 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 100 1 1.000 205 205 205 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