./iterations/neb0_image02_iter15.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.468470125704 0.238601983428 0.474619922395} O1 1 1
14 {} {0.328821891153 0.245837536569 0.561283962124} Si1 2 1
14 {} {0.601315838825 0.327209417735 0.432997413013} Si2 3 1
8 {} {0.555627623511 0.474944915094 0.371068940943} O2 4 1
8 {} {0.332229293862 0.375397192114 0.660090077958} O3 5 1
14 {} {0.270270184102 0.515214053229 0.72199236279} Si3 6 1
14 {} {0.518743550052 0.638192824179 0.378250670504} Si4 7 1
1 {} {0.320572252635 0.122636135077 0.645261288407} H1 8 1
1 {} {0.213766935551 0.255537191079 0.466171136274} H2 9 1
1 {} {0.672720034936 0.245906079934 0.329158714353} H3 10 1
1 {} {0.687839962782 0.34394883007 0.554683556022} H4 11 1
1 {} {0.123484648349 0.494576589407 0.736247102291} H5 12 1
1 {} {0.342651728133 0.537926906324 0.849937374811} H6 13 1
1 {} {0.386445993182 0.701795316765 0.350325735624} H7 14 1
1 {} {0.601795309501 0.701760709969 0.272993886541} H8 15 1
1 {} {0.565800326899 0.685468108554 0.513265447649} H10 16 1
8 {} {0.287682314525 0.644890094854 0.610224403454} O 17 1
1 {} {0.331848128453 0.722674079463 0.602485995967} 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 2
15 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
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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