iterations/neb0_image07_iter34.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.469774153892 0.223713903016 0.483191024072} O1 1 1
14 {} {0.332891388498 0.2288103439 0.573132842004} Si1 2 1
14 {} {0.598961503173 0.314149083832 0.440773279416} Si2 3 1
8 {} {0.546231125753 0.463725917752 0.399523388869} O2 4 1
8 {} {0.3327067985 0.35951814923 0.66857132958} O3 5 1
14 {} {0.295618072309 0.518609181927 0.678419983734} Si3 6 1
14 {} {0.500342667979 0.611072525299 0.451886125292} Si4 7 1
1 {} {0.330236526534 0.109948095759 0.661171693106} H1 8 1
1 {} {0.216338054426 0.232632775457 0.481053192008} H2 9 1
1 {} {0.664166855487 0.244796750964 0.328079568612} H3 10 1
1 {} {0.693716752305 0.32815488919 0.553380553087} H4 11 1
1 {} {0.148396761832 0.527693864654 0.689089798356} H5 12 1
1 {} {0.344198515219 0.563906791315 0.810326156293} H6 13 1
1 {} {0.341741021757 0.806893516749 0.417864165583} H7 14 1
1 {} {0.500560507764 0.68097825781 0.319185312405} H8 15 1
1 {} {0.598604945012 0.680462345456 0.539212781415} H10 16 1
8 {} {0.365165753886 0.589735987059 0.548129690724} O 17 1
1 {} {0.330434748285 0.787715589418 0.488067108564} 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
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 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 0 1 {0 0 0} 0
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2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 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