#VESTA_FORMAT_VERSION 3.3.0 MAGNETIC_CRYSTAL TITLE 5yOhtAoR GROUP 33 144 Pna2_1 PSPGR 33 1 P n 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 0.500000 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 -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 10.796000 3.494000 12.454600 90.000000 90.000000 90.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 Y Y1 1.0000 0.206700 0.231000 0.000000 4a 1 0.000000 0.000000 0.000000 0.00 2 Y Y2 1.0000 0.040600 0.232000 0.329400 4a 1 0.000000 0.000000 0.000000 0.00 3 Cu Cu1 1.0000 0.990900 0.656000 0.112300 4a 1 0.000000 0.000000 0.000000 0.00 4 Cu Cu2 1.0000 0.260200 0.674000 0.215100 4a 1 0.000000 0.000000 0.000000 0.00 5 O O1 1.0000 0.176100 0.723000 0.348700 4a 1 0.000000 0.000000 0.000000 0.00 6 O O2 1.0000 0.326200 0.733000 0.066500 4a 1 0.000000 0.000000 0.000000 0.00 7 O O3 1.0000 0.123000 0.314000 0.165000 4a 1 0.000000 0.000000 0.000000 0.00 8 O O4 1.0000 0.431000 0.781000 0.263000 4a 1 0.000000 0.000000 0.000000 0.00 9 O O5 1.0000 0.424100 0.236000 0.470000 4a 1 0.000000 0.000000 0.000000 0.00 0 0 0 0 0 0 0 THERI 0 1 Y1 1.000000 2 Y2 1.000000 3 Cu1 1.000000 4 Cu2 1.000000 5 O1 1.000000 6 O2 1.000000 7 O3 1.000000 8 O4 1.000000 9 O5 1.000000 0 0 0 SHAPE 0 0 0 0 0.000000 0 192 192 192 192 BOUND -0.1 1.1 0 1 0 1 0 0 0 0 0 SBOND 1 Y O 0.00000 2.62549 0 1 1 0 1 0.250 2.000 127 127 127 0 0 0 0 SITET 1 Y1 1.2000 102 152 142 102 152 142 40 0 2 Y2 1.2000 102 152 142 102 152 142 40 0 3 Cu1 1.0000 34 71 220 34 71 220 40 0 4 Cu2 1.0000 34 71 220 34 71 220 40 0 5 O1 0.4000 254 3 0 254 3 0 40 0 6 O2 0.4000 254 3 0 254 3 0 40 0 7 O3 0.4000 254 3 0 254 3 0 40 0 8 O4 0.4000 254 3 0 254 3 0 40 0 9 O5 0.4000 254 3 0 254 3 0 40 0 0 0 0 0 0 0 VECTR 1 0.00000 -1.10000 0.00000 0 3 0 0 0 0 0 0 0 0 0 2 0.00000 -1.10000 0.00000 0 4 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 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 Y 1.2000 102 152 142 102 152 142 40 2 Cu 1.0000 34 71 220 34 71 220 40 3 O 0.4000 254 3 0 254 3 0 40 0 0 0 0 0 0 SCENE 0.966553 0.255218 -0.025286 0.000000 -0.029470 0.208465 0.977586 0.000000 0.254768 -0.944143 0.209014 0.000000 0.000000 0.000000 0.000000 1.000000 0.000 0.000 0.000 1.134 HBOND 0 2 STYLE DISPF 37753794 MODEL 2 1 0 SURFS 0 1 1 SECTS 96 1 FORMS 0 1 ATOMS 0 0 1 BONDS 1 POLYS 2 VECTS 1.363636 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 40 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