#VESTA_FORMAT_VERSION 3.1.2 CRYSTAL TITLE SCAT f01 file IMPORT_DENSITY 1 +1.000000E+000 008_1eg.sca GROUP 1 1 P 1 SYMOP 0.000000 0.000000 0.000000 1 0 0 0 1 0 0 0 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 5.291772 5.291772 5.291772 90.000000 90.000000 90.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 C C1 1.0000 0.500000 0.500000 0.645046 1a 1 0.000000 0.000000 0.000000 0.00 2 C C2 1.0000 0.500000 0.500000 0.354954 1a 1 0.000000 0.000000 0.000000 0.00 3 H H1 1.0000 0.692784 0.500000 0.719705 1a 1 0.000000 0.000000 0.000000 0.00 4 H H2 1.0000 0.403609 0.666955 0.719705 1a 1 0.000000 0.000000 0.000000 0.00 5 H H3 1.0000 0.403609 0.333045 0.719705 1a 1 0.000000 0.000000 0.000000 0.00 6 H H4 1.0000 0.307216 0.500000 0.280295 1a 1 0.000000 0.000000 0.000000 0.00 7 H H5 1.0000 0.596391 0.666955 0.280295 1a 1 0.000000 0.000000 0.000000 0.00 8 H H6 1.0000 0.596391 0.333045 0.280295 1a 1 0.000000 0.000000 0.000000 0.00 9 He 0 1.0000 0.500000 0.500000 0.500000 1a 1 0.000000 0.000000 0.000000 0.00 10 He x 1.0000 0.980000 0.500000 0.500000 1a 1 0.000000 0.000000 0.000000 0.00 11 He y 1.0000 0.500000 0.980000 0.500000 1a 1 0.000000 0.000000 0.000000 0.00 12 He z 1.0000 0.500000 0.500000 0.980000 1a 1 0.000000 0.000000 0.000000 0.00 0 0 0 0 0 0 0 THERI 0 1 C1 1.000000 2 C2 1.000000 3 H1 1.000000 4 H2 1.000000 5 H3 1.000000 6 H4 1.000000 7 H5 1.000000 8 H6 1.000000 9 0 1.000000 10 x 1.000000 11 y 1.000000 12 z 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 C C 0.00000 1.60000 0 1 0 0 1 0.250 1.000 180 180 180 2 C H 0.00000 1.10000 0 1 0 0 1 0.250 1.000 180 180 180 0 0 0 0 SITET 1 C1 0.7700 128 73 41 128 73 41 204 0 2 C2 0.7700 128 73 41 128 73 41 204 0 3 H1 0.4600 255 204 204 255 204 204 204 0 4 H2 0.4600 255 204 204 255 204 204 204 0 5 H3 0.4600 255 204 204 255 204 204 204 0 6 H4 0.4600 255 204 204 255 204 204 204 0 7 H5 0.4600 255 204 204 255 204 204 204 0 8 H6 0.4600 255 204 204 255 204 204 204 0 9 0 0.0000 252 232 206 252 232 206 204 0 10 x 0.0000 252 232 206 252 232 206 204 1 11 y 0.0000 252 232 206 252 232 206 204 1 12 z 0.0000 252 232 206 252 232 206 204 1 0 0 0 0 0 0 SPLAN 0 0 0 0 LBLAT 9 10 11 -1 LBLSP -1 DLATM -1 DLBND -1 DLPLY -1 ARROW 1 1.000 0.000 0.000 2.400 0.030 0 0 0 1 8 -1 2 0.000 1.000 0.000 2.400 0.030 0 0 0 1 8 -1 3 0.000 0.000 1.000 2.400 0.030 0 0 0 1 8 -1 0 0 0 0 0 0 0 0 0 PLN2D 0 0 0 0 ISURF 1 0 0.05 255 255 0 127 255 0 0 0 0 ATOMT 1 C 0.7700 128 73 41 128 73 41 204 2 H 0.4600 255 204 204 255 204 204 204 3 He 0.0000 252 232 206 252 232 206 204 0 0 0 0 0 0 SCENE -0.645904 0.763417 0.001584 0.000000 -0.217159 -0.185720 0.958306 0.000000 0.731881 0.618630 0.285740 0.000000 0.000000 0.000000 0.000000 1.000000 0.000 0.000 0.000 2.028 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 1 FORMP 1 1.0 0 0 0 ATOMP 256 256 0 50 2.0 0 BONDP 256 256 0.250 1.000 180 180 180 POLYP 204 1 1.000 180 180 180 TEX3P 1 0.00000E+000 1.00000E+000 SECTP 1 0.00000E+000 1.00000E+000 0.00000E+000 HKLPP 192 1 1.000 255 0 255 UCOLP 0 0 1.000 0 0 0 COMPS 0 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