./iterations/neb0_image09_iter46.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
8 {} {0.471960890831 0.211965045648 0.494272246401} O1 1 1
14 {} {0.336184684453 0.216034857603 0.586108420772} Si1 2 1
14 {} {0.60272987378 0.298907001653 0.44504262829} Si2 3 1
8 {} {0.559851071275 0.451286075558 0.402038964709} O2 4 1
8 {} {0.32964360667 0.355399687786 0.674641192136} O3 5 1
14 {} {0.29646688906 0.51635599381 0.668975528037} Si3 6 1
14 {} {0.507320832491 0.599226962049 0.450958197663} Si4 7 1
1 {} {0.341070641785 0.103524304012 0.682642078849} H1 8 1
1 {} {0.217655024011 0.208731321955 0.496139092982} H2 9 1
1 {} {0.658430184119 0.231246047903 0.325350714671} H3 10 1
1 {} {0.702453233847 0.308081697835 0.555530631962} H4 11 1
1 {} {0.149413016679 0.537956134205 0.656903184986} H5 12 1
1 {} {0.349931826894 0.576500344694 0.794438914822} H6 13 1
1 {} {0.323714299008 0.878028409533 0.412270946917} H7 14 1
1 {} {0.478644802304 0.676494456081 0.327876693132} H8 15 1
1 {} {0.610173323109 0.664585266777 0.536382903366} H10 16 1
8 {} {0.367147659148 0.585826708282 0.53873202934} O 17 1
1 {} {0.307294303343 0.852367629622 0.482753627537} H14 18 1
@end
@Columns Cell
	Constraints	string	{a b c A B G}
	Origin	int	{{0 0 0}}
	Parameters	double	{{10.0 10.0 10.0 90.0 90.0 90.0}}
	PrimitiveData	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	RotationMatrix	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	SpaceGroup	string	P1
	SpaceGroupNumber	int	1
	ToCartesians	double	{{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}}
	ToFractionals	double	{{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}}
@end
@data
{a b c A B G} {0 0 0} {10 10 10 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{10 0 0} {0 10 0} {0 0 10}} {{0.1 0 0} {0 0.1 0} {0 0 0.1}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
12 5 0 0
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 0
15 6 0 0
16 6 0 0
4 1 0 0
3 2 0 0
11 5 0 0
7 1 0 0
8 1 0 0
6 3 0 0
5 4 0 0
10 2 0 0
9 2 0 0
@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
0 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
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7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end