#VESTA_FORMAT_VERSION 3.1.9 CRYSTAL TITLE 1.62.CuO.mcif -- in P1.1 GROUP 1 1 P 1 SYMOP 0.000000 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 0.000000 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 9.354000 3.423000 10.252000 90.000000 99.720001 90.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 Cu Cu1_1 1.0000 0.125000 0.250000 0.000000 1a 1 0.000000 0.000000 0.000000 1.00 2 Cu Cu1_2 1.0000 0.375000 0.750000 0.000000 1a 1 0.000000 0.000000 0.000000 1.00 3 Cu Cu1_3 1.0000 0.625000 0.750000 0.250000 1a 1 0.000000 0.000000 0.000000 1.00 4 Cu Cu1_4 1.0000 0.375000 0.250000 0.250000 1a 1 0.000000 0.000000 0.000000 1.00 5 Cu Cu1_5 1.0000 0.625000 0.250000 0.500000 1a 1 0.000000 0.000000 0.000000 1.00 6 Cu Cu1_6 1.0000 0.875000 0.250000 0.750000 1a 1 0.000000 0.000000 0.000000 1.00 7 Cu Cu1_7 1.0000 0.875000 0.750000 0.500000 1a 1 0.000000 0.000000 0.000000 1.00 8 Cu Cu1_8 1.0000 0.125000 0.750000 0.750000 1a 1 0.000000 0.000000 0.000000 1.00 9 Cu Cu1_9 1.0000 0.875000 0.750000 0.000000 1a 1 0.000000 0.000000 0.000000 1.00 10 Cu Cu1_10 1.0000 0.125000 0.750000 0.250000 1a 1 0.000000 0.000000 0.000000 1.00 11 Cu Cu1_11 1.0000 0.875000 0.250000 0.250000 1a 1 0.000000 0.000000 0.000000 1.00 12 Cu Cu1_12 1.0000 0.625000 0.250000 0.000000 1a 1 0.000000 0.000000 0.000000 1.00 13 Cu Cu1_13 1.0000 0.375000 0.750000 0.500000 1a 1 0.000000 0.000000 0.000000 1.00 14 Cu Cu1_14 1.0000 0.625000 0.750000 0.750000 1a 1 0.000000 0.000000 0.000000 1.00 15 Cu Cu1_15 1.0000 0.375000 0.250000 0.750000 1a 1 0.000000 0.000000 0.000000 1.00 16 Cu Cu1_16 1.0000 0.125000 0.250000 0.500000 1a 1 0.000000 0.000000 0.000000 1.00 0 0 0 0 0 0 0 THERI 0 1 Cu1_1 1.000000 2 Cu1_2 1.000000 3 Cu1_3 1.000000 4 Cu1_4 1.000000 5 Cu1_5 1.000000 6 Cu1_6 1.000000 7 Cu1_7 1.000000 8 Cu1_8 1.000000 9 Cu1_9 1.000000 10 Cu1_10 1.000000 11 Cu1_11 1.000000 12 Cu1_12 1.000000 13 Cu1_13 1.000000 14 Cu1_14 1.000000 15 Cu1_15 1.000000 16 Cu1_16 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 0 0 0 0 SITET 1 Cu1_1 1.0000 34 71 220 34 71 220 46 0 2 Cu1_2 1.0000 34 71 220 34 71 220 46 0 3 Cu1_3 1.0000 34 71 220 34 71 220 46 0 4 Cu1_4 1.0000 34 71 220 34 71 220 46 0 5 Cu1_5 1.0000 34 71 220 34 71 220 46 0 6 Cu1_6 1.0000 34 71 220 34 71 220 46 0 7 Cu1_7 1.0000 34 71 220 34 71 220 46 0 8 Cu1_8 1.0000 34 71 220 34 71 220 46 0 9 Cu1_9 1.0000 34 71 220 34 71 220 46 0 10 Cu1_10 1.0000 34 71 220 34 71 220 46 0 11 Cu1_11 1.0000 34 71 220 34 71 220 46 0 12 Cu1_12 1.0000 34 71 220 34 71 220 46 0 13 Cu1_13 1.0000 34 71 220 34 71 220 46 0 14 Cu1_14 1.0000 34 71 220 34 71 220 46 0 15 Cu1_15 1.0000 34 71 220 34 71 220 46 0 16 Cu1_16 1.0000 34 71 220 34 71 220 46 0 0 0 0 0 0 0 VECTR 1 0.00000 0.95000 0.00000 0 1 0 0 0 0 0 0 0 0 0 2 0.00000 0.95000 0.00000 0 2 0 0 0 0 0 0 0 0 0 3 0.00000 0.95000 0.00000 0 3 0 0 0 0 0 0 0 0 0 4 0.00000 0.95000 0.00000 0 4 0 0 0 0 0 0 0 0 0 5 0.00000 0.95000 0.00000 0 5 0 0 0 0 0 0 0 0 0 6 0.00000 0.95000 0.00000 0 6 0 0 0 0 0 0 0 0 0 7 0.00000 0.95000 0.00000 0 7 0 0 0 0 0 0 0 0 0 8 0.00000 0.95000 0.00000 0 8 0 0 0 0 0 0 0 0 0 9 0.00000 -0.95000 0.00000 0 9 0 0 0 0 0 0 0 0 0 10 0.00000 -0.95000 0.00000 0 10 0 0 0 0 0 0 0 0 0 11 0.00000 -0.95000 0.00000 0 11 0 0 0 0 0 0 0 0 0 12 0.00000 -0.95000 0.00000 0 12 0 0 0 0 0 0 0 0 0 13 0.00000 -0.95000 0.00000 0 13 0 0 0 0 0 0 0 0 0 14 0.00000 -0.95000 0.00000 0 14 0 0 0 0 0 0 0 0 0 15 0.00000 -0.95000 0.00000 0 15 0 0 0 0 0 0 0 0 0 16 0.00000 -0.95000 0.00000 0 16 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 3 0.500 255 0 0 1 4 0.500 255 0 0 1 5 0.500 255 0 0 1 6 0.500 255 0 0 1 7 0.500 255 0 0 1 8 0.500 255 0 0 1 9 0.500 255 0 0 1 10 0.500 255 0 0 1 11 0.500 255 0 0 1 12 0.500 255 0 0 1 13 0.500 255 0 0 1 14 0.500 255 0 0 1 15 0.500 255 0 0 1 16 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 0 0 0 0 0 0 SCENE 0.999986 -0.002530 -0.004715 0.000000 -0.004708 0.002478 -0.999986 0.000000 0.002541 0.999994 0.002467 0.000000 0.000000 0.000000 0.000000 1.000000 0.000 0.000 0.000 1.464 HBOND 0 2 STYLE DISPF 16479 MODEL 0 1 0 SURFS 0 1 1 SECTS 96 1 FORMS 0 1 ATOMS 0 0 BONDS 1 POLYS 2 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 46 1 1.000 34 34 34 TEX3P 1 0.00000E+00 1.00000E+00 SECTP 1 5.00000E-01 5.00000E-01 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