#VESTA_FORMAT_VERSION 3.3.0 MAGNETIC_CRYSTAL TITLE 5yOhtAoR GROUP 29 101 Pc'a2_1' PSPGR 29 1 P c a 2_1 SYMOP 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 0.500000 0.000000 0.500000 -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 -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 8.516000 8.495000 12.034000 90.000000 90.000000 90.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 Ni Ni1 1.0000 0.744000 0.249000 0.730000 4a 1 0.000000 0.000000 0.000000 0.00 2 Ni Ni2 1.0000 0.988000 0.475000 0.501000 4a 1 0.000000 0.000000 0.000000 0.00 3 Ni Ni3 1.0000 0.985000 0.024000 0.502000 4a 1 0.000000 0.000000 0.000000 0.00 4 Br Br1 1.0000 0.773000 0.250000 0.511760 4a 1 0.000000 0.000000 0.000000 0.00 5 B B1 1.0000 0.494000 0.483000 0.745000 4a 1 0.000000 0.000000 0.000000 0.00 6 B B2 1.0000 0.253000 0.252000 0.497000 4a 1 0.000000 0.000000 0.000000 0.00 7 B B3 1.0000 0.994000 0.995000 0.745000 4a 1 0.000000 0.000000 0.000000 0.00 8 B B4 1.0000 0.046000 0.264000 0.851000 4a 1 0.000000 0.000000 0.000000 0.00 9 B B5 1.0000 0.753000 0.593000 0.672000 4a 1 0.000000 0.000000 0.000000 0.00 10 B B6 1.0000 0.396000 0.251000 0.831000 4a 1 0.000000 0.000000 0.000000 0.00 11 B B7 1.0000 0.758000 0.909000 0.672000 4a 1 0.000000 0.000000 0.000000 0.00 12 O O1 1.0000 0.753000 0.751000 0.739000 4a 1 0.000000 0.000000 0.000000 0.00 13 O O2 1.0000 0.956000 0.325000 0.785000 4a 1 0.000000 0.000000 0.000000 0.00 14 O O3 1.0000 0.883000 0.673000 0.441000 4a 1 0.000000 0.000000 0.000000 0.00 15 O O4 1.0000 0.531000 0.173000 0.780000 4a 1 0.000000 0.000000 0.000000 0.00 16 O O5 1.0000 0.682000 0.640000 0.580000 4a 1 0.000000 0.000000 0.000000 0.00 17 O O6 1.0000 0.834000 0.027000 0.737000 4a 1 0.000000 0.000000 0.000000 0.00 18 O O7 1.0000 0.139000 0.178000 0.438000 4a 1 0.000000 0.000000 0.000000 0.00 19 O O8 1.0000 0.659000 0.474000 0.733000 4a 1 0.000000 0.000000 0.000000 0.00 20 O O9 1.0000 0.821000 0.877000 0.575000 4a 1 0.000000 0.000000 0.000000 0.00 21 O O10 1.0000 0.434000 0.413000 0.849000 4a 1 0.000000 0.000000 0.000000 0.00 22 O O11 1.0000 0.047000 0.079000 0.854000 4a 1 0.000000 0.000000 0.000000 0.00 23 O O12 1.0000 0.914000 0.557000 0.657000 4a 1 0.000000 0.000000 0.000000 0.00 24 O O13 1.0000 0.572000 0.942000 0.656000 4a 1 0.000000 0.000000 0.000000 0.00 0 0 0 0 0 0 0 THERI 0 1 Ni1 1.000000 2 Ni2 1.000000 3 Ni3 1.000000 4 Br1 1.000000 5 B1 1.000000 6 B2 1.000000 7 B3 1.000000 8 B4 1.000000 9 B5 1.000000 10 B6 1.000000 11 B7 1.000000 12 O1 1.000000 13 O2 1.000000 14 O3 1.000000 15 O4 1.000000 16 O5 1.000000 17 O6 1.000000 18 O7 1.000000 19 O8 1.000000 20 O9 1.000000 21 O10 1.000000 22 O11 1.000000 23 O12 1.000000 24 O13 1.000000 0 0 0 SHAPE 0 0 0 0 0.000000 0 192 192 192 192 BOUND -0.05 1.05 -0.05 1.05 -0.05 1.05 0 0 0 0 0 SBOND 1 B O 0.00000 2.00000 0 1 1 0 1 0.250 1.000 180 180 180 0 0 0 0 SITET 1 Ni1 1.0000 183 187 189 183 187 189 204 0 2 Ni2 1.0000 183 187 189 183 187 189 204 0 3 Ni3 1.0000 183 187 189 183 187 189 204 0 4 Br1 1.1400 126 49 2 126 49 2 204 0 5 B1 0.8100 31 162 15 31 162 15 204 0 6 B2 0.8100 31 162 15 31 162 15 204 0 7 B3 0.8100 31 162 15 31 162 15 204 0 8 B4 0.8100 31 162 15 31 162 15 204 0 9 B5 0.8100 31 162 15 31 162 15 204 0 10 B6 0.8100 31 162 15 31 162 15 204 0 11 B7 0.8100 31 162 15 31 162 15 204 0 12 O1 0.4000 254 3 0 254 3 0 204 0 13 O2 0.4000 254 3 0 254 3 0 204 0 14 O3 0.4000 254 3 0 254 3 0 204 0 15 O4 0.4000 254 3 0 254 3 0 204 0 16 O5 0.4000 254 3 0 254 3 0 204 0 17 O6 0.4000 254 3 0 254 3 0 204 0 18 O7 0.4000 254 3 0 254 3 0 204 0 19 O8 0.4000 254 3 0 254 3 0 204 0 20 O9 0.4000 254 3 0 254 3 0 204 0 21 O10 0.4000 254 3 0 254 3 0 204 0 22 O11 0.4000 254 3 0 254 3 0 204 0 23 O12 0.4000 254 3 0 254 3 0 204 0 24 O13 0.4000 254 3 0 254 3 0 204 0 0 0 0 0 0 0 VECTR 1 3.51000 0.00000 0.60000 0 1 0 0 0 0 0 0 0 0 0 2 0.00000 1.31000 0.20000 0 2 0 0 0 0 0 0 0 0 0 3 0.00000 -1.31000 -0.50000 0 3 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 3 3 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 Ni 1.0000 183 187 189 183 187 189 204 2 Br 1.1400 126 49 2 126 49 2 204 3 B 0.8100 31 162 15 31 162 15 204 4 O 0.4000 254 3 0 254 3 0 204 0 0 0 0 0 0 SCENE -0.317579 -0.948211 0.006273 0.000000 0.129694 -0.036882 0.990868 0.000000 -0.939320 0.315493 0.134690 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 0.421240 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 204 1 1.000 180 180 180 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