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CONTCAR_91CnLqd.vesta
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#VESTA_FORMAT_VERSION 3.3.0
CRYSTAL
TITLE
Cn Lqd
GROUP
1 1 P 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
0.000000 0.500000 0.000000 1 0 0 0 1 0 0 0 1 1
0.000000 0.500000 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
0.500000 0.000000 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
0.500000 0.500000 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 7
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
14.578000 14.578000 14.578000 90.000000 90.000000 90.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
STRUC
1 Cn Cn1 1.0000 0.408233 0.002426 0.143350 8a 1
0.000000 0.000000 0.000000 0.00
2 Cn Cn2 1.0000 0.971968 0.473993 0.306224 8a 1
0.000000 0.000000 0.000000 0.00
3 Cn Cn3 1.0000 0.484132 0.445089 0.989446 8a 1
0.000000 0.000000 0.000000 0.00
4 Cn Cn6 1.0000 0.213706 0.014627 0.114772 8a 1
0.000000 0.000000 0.000000 0.00
5 Cn Cn8 1.0000 0.203268 0.397812 0.398004 8a 1
0.000000 0.000000 0.000000 0.00
6 Cn Cn9 1.0000 0.297859 0.348029 0.065816 8a 1
0.000000 0.000000 0.000000 0.00
7 Cn Cn10 1.0000 0.265254 0.223461 0.269738 8a 1
0.000000 0.000000 0.000000 0.00
8 Cn Cn11 1.0000 0.075603 0.205529 0.051553 8a 1
0.000000 0.000000 0.000000 0.00
9 Cn Cn15 1.0000 0.053840 0.196034 0.376700 8a 1
0.000000 0.000000 0.000000 0.00
10 Cn Cn23 1.0000 0.261316 0.131428 0.415809 8a 1
0.000000 0.000000 0.000000 0.00
11 Cn Cn28 1.0000 0.395130 0.264639 0.383267 8a 1
0.000000 0.000000 0.000000 0.00
12 Cn Cn33 1.0000 0.401850 0.230716 0.146330 8a 1
0.000000 0.000000 0.000000 0.00
0 0 0 0 0 0 0
THERI 0
1 Cn1 1.000000
2 Cn2 1.000000
3 Cn3 1.000000
4 Cn6 1.000000
5 Cn8 1.000000
6 Cn9 1.000000
7 Cn10 1.000000
8 Cn11 1.000000
9 Cn15 1.000000
10 Cn23 1.000000
11 Cn28 1.000000
12 Cn33 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 Cn1 0.8000 76 76 76 76 76 76 204 0
2 Cn2 0.8000 76 76 76 76 76 76 204 0
3 Cn3 0.8000 76 76 76 76 76 76 204 0
4 Cn6 0.8000 76 76 76 76 76 76 204 0
5 Cn8 0.8000 76 76 76 76 76 76 204 0
6 Cn9 0.8000 76 76 76 76 76 76 204 0
7 Cn10 0.8000 76 76 76 76 76 76 204 0
8 Cn11 0.8000 76 76 76 76 76 76 204 0
9 Cn15 0.8000 76 76 76 76 76 76 204 0
10 Cn23 0.8000 76 76 76 76 76 76 204 0
11 Cn28 0.8000 76 76 76 76 76 76 204 0
12 Cn33 0.8000 76 76 76 76 76 76 204 0
0 0 0 0 0 0
VECTR
0 0 0 0 0
VECTT
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 Cn 0.8000 76 76 76 76 76 76 204
0 0 0 0 0 0
SCENE
0.154491 -0.022048 -0.987748 0.000000
-0.035376 0.998986 -0.027832 0.000000
0.987361 0.039242 0.153555 0.000000
0.000000 0.000000 0.000000 1.000000
0.000 0.000
0.000
1.000
HBOND 0 2
STYLE
DISPF 37753794
MODEL 0 1 0
SURFS 0 1 1
SECTS 96 1
FORMS 0 1
ATOMS 0 0 1
BONDS 4
POLYS 1
VECTS 1.000000
FORMP
1 1.0 0 0 0
ATOMP
24 24 0 50 2.0 0
BONDP
1 16 0.100 2.000 127 127 127
POLYP
204 1 1.000 180 180 180
ISURF
0 0 0 0
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