#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 0.333333 0.666667 0.166667 1 -1 0 0 -1 0 0 0 -1 1 0.000000 0.000000 0.000000 -1 0 0 0 -1 0 0 0 -1 1 0.333333 0.666667 0.166667 -1 1 0 0 1 0 0 0 1 1 0.333333 0.666667 0.666667 1 0 0 0 1 0 0 0 1 1 0.666667 1.333333 0.833333 1 -1 0 0 -1 0 0 0 -1 1 0.333333 0.666667 0.666667 -1 0 0 0 -1 0 0 0 -1 1 0.666667 1.333333 0.833333 -1 1 0 0 1 0 0 0 1 1 0.666667 0.333333 0.333333 1 0 0 0 1 0 0 0 1 1 1.000000 1.000000 0.500000 1 -1 0 0 -1 0 0 0 -1 1 0.666667 0.333333 0.333333 -1 0 0 0 -1 0 0 0 -1 1 1.000000 1.000000 0.500000 -1 1 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 4.609000 4.609000 14.737000 90.000000 90.000000 120.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 Ni Ni1 1.0000 0.000000 0.000000 0.000000 6 - 0.000000 0.000000 0.000000 0.00 2 C C1 1.0000 0.000000 0.000000 0.250000 6 - 0.000000 0.000000 0.000000 0.00 3 O O2_1 1.0000 0.281300 0.000000 0.250000 6 - 0.000000 0.000000 0.000000 0.00 4 O O2_2 1.0000 0.000000 0.281300 0.250000 12 - 0.000000 0.000000 0.000000 0.00 0 0 0 0 0 0 0 THERI 0 1 Ni1 1.000000 2 C1 1.000000 3 O2_1 1.000000 4 O2_2 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 Ni O 0.00000 3.00000 0 1 1 0 1 0.250 1.000 180 180 180 0 0 0 0 SITET 1 Ni1 1.2500 183 187 189 183 187 189 30 0 2 C1 0.7700 128 73 41 128 73 41 30 0 3 O2_1 0.5000 254 3 0 254 3 0 30 0 4 O2_2 0.5000 254 3 0 254 3 0 30 0 0 0 0 0 0 0 VECTR 1 1.00000 2.00000 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 1.2500 183 187 189 183 187 189 30 2 C 0.7700 128 73 41 128 73 41 30 3 O 0.5000 254 3 0 254 3 0 30 0 0 0 0 0 0 SCENE -0.646994 0.762487 -0.003643 0.000000 -0.172286 -0.141533 0.974826 0.000000 0.742776 0.631334 0.222937 0.000000 0.000000 0.000000 0.000000 1.000000 0.000 0.000 0.000 0.786 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 0.866025 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 30 1 1.000 16 16 16 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