#VESTA_FORMAT_VERSION 3.5.4 MAGNETIC_CRYSTAL TITLE "Dy Ba Cu O6" GROUP 14 80 P_a2_1/c PSPGR 62 1 P n m a SYMOP 0.000000 0.000000 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 0.000000 0.000000 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 0.000000 0.500000 0.000000 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 0.000000 0.500000 0.000000 -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 -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 1 1 0 0 0 1 0 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 12.200800 11.346240 7.138920 90.000000 90.000000 90.000000 0.000070 0.000060 0.000040 0.000000 0.000000 0.000000 STRUC 1 Ba Ba1 1.0000 0.907460 0.125000 0.928800 8e 1 0.000000 0.000000 0.000000 0.00 2 Dy Dy1 1.0000 0.288910 0.125000 0.117190 8e 1 0.000000 0.000000 0.000000 0.00 3 Dy Dy2 1.0000 0.074330 0.125000 0.396840 8e 1 0.000000 0.000000 0.000000 0.00 4 Cu Cu1 1.0000 0.660040 0.125000 0.711500 8e 1 0.000000 0.000000 0.000000 0.00 5 O O1_1 1.0000 0.433220 0.995900 0.168620 8e 1 0.000000 0.000000 0.000000 0.00 6 O O1_2 1.0000 0.933220 0.254100 0.331380 8e 1 0.000000 0.000000 0.000000 0.00 7 O O2_1 1.0000 0.228160 0.752850 0.355200 8e 1 0.000000 0.000000 0.000000 0.00 8 O O2_2 1.0000 0.728160 0.497150 0.144800 8e 1 0.000000 0.000000 0.000000 0.00 9 O O3 1.0000 0.100500 0.125000 0.083700 8e 1 0.000000 0.000000 0.000000 0.00 0 0 0 0 0 0 0 THERI 1 1 Ba1 0.000000 2 Dy1 0.000000 3 Dy2 0.000000 4 Cu1 0.000000 5 O1_1 0.000000 6 O1_2 0.000000 7 O2_1 0.000000 8 O2_2 0.000000 9 O3 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 Cu O 0.00000 2.47295 0 1 1 0 1 0.250 2.000 127 127 127 2 Dy O 0.00000 2.65651 0 1 1 0 1 0.250 2.000 127 127 127 0 0 0 0 SITET 1 Ba1 1.2000 30 239 44 30 239 44 40 0 2 Dy1 0.9000 49 6 252 49 6 252 40 0 3 Dy2 0.9000 49 6 252 49 6 252 40 0 4 Cu1 0.9000 220 154 84 220 160 94 40 0 5 O1_1 0.4000 254 3 0 254 3 0 40 0 6 O1_2 0.4000 254 3 0 254 3 0 40 0 7 O2_1 0.4000 254 3 0 254 3 0 40 0 8 O2_2 0.4000 254 3 0 254 3 0 40 0 9 O3 0.4000 254 3 0 254 3 0 40 0 0 0 0 0 0 0 VECTR 1 0.10000 0.00000 0.00000 0 2 0 0 0 0 0 0 0 0 0 2 2.69000 0.00000 1.33000 0 3 0 0 0 0 0 0 0 0 0 3 -0.42000 0.00000 0.37000 0 4 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 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 Ba 1.2000 30 239 44 30 239 44 40 2 Dy 0.9000 49 6 252 49 6 252 40 3 Cu 0.9000 220 154 84 220 160 94 40 4 O 0.4000 254 3 0 254 3 0 40 0 0 0 0 0 0 SCENE -0.021531 -0.088787 0.995818 0.000000 0.997517 -0.068717 0.015440 0.000000 0.067059 0.993677 0.090046 0.000000 0.000000 0.000000 0.000000 1.000000 0.000 0.000 0.000 1.348 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 0.499861 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 1.000 246 246 246 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