./iterations/neb0_image07_iter197.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 {} {0.473265433576 0.233637869593 0.495533888567} O1 1 1
14 {} {0.333318856638 0.218583172079 0.580353075974} Si1 2 1
14 {} {0.615538068394 0.301959797827 0.451248815217} Si2 3 1
8 {} {0.598515863271 0.462900450121 0.421840808546} O2 4 1
8 {} {0.306444767132 0.348916436709 0.678579953062} O3 5 1
14 {} {0.290836135842 0.510363200647 0.653376170932} Si3 6 1
14 {} {0.495351276162 0.590338648985 0.435646273401} Si4 7 1
1 {} {0.344831664932 0.0987344257941 0.66671596255} H1 8 1
1 {} {0.221539931862 0.209277682098 0.482109579429} H2 9 1
1 {} {0.662171492458 0.235155692538 0.326830090877} H3 10 1
1 {} {0.713104066041 0.287593358866 0.562550044159} H4 11 1
1 {} {0.14733835025 0.549795657778 0.652400521903} H5 12 1
1 {} {0.368360378172 0.581110611213 0.759636700493} H6 13 1
1 {} {0.34467127961 0.912197303352 0.500107893027} H7 14 1
1 {} {0.468390293969 0.639784788024 0.297738710538} H8 15 1
1 {} {0.558502891552 0.692377508672 0.524250843967} H10 16 1
8 {} {0.352469818115 0.546138189396 0.50399605352} O 17 1
1 {} {0.315435374081 0.853653022662 0.538142423795} 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
1 0 2 {0 0 0} 0
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