iterations/neb0_image08_iter71.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471929499312 0.217553513219 0.488581777011} O1 1 1
14 {} {0.334123118686 0.221152792161 0.578142052677} Si1 2 1
14 {} {0.601891688051 0.306648302448 0.443972126355} Si2 3 1
8 {} {0.556452684449 0.458780920362 0.401727031434} O2 4 1
8 {} {0.330810615283 0.354037323721 0.674583097819} O3 5 1
14 {} {0.298167143492 0.515457304204 0.674961541156} Si3 6 1
14 {} {0.503506808469 0.604574828959 0.454032188021} Si4 7 1
1 {} {0.330961559403 0.101636896837 0.665524570006} H1 8 1
1 {} {0.218166999798 0.225099507915 0.485664090846} H2 9 1
1 {} {0.662919852221 0.243982927832 0.32436406166} H3 10 1
1 {} {0.696222268953 0.31670626311 0.558482992357} H4 11 1
1 {} {0.151717594855 0.537717175147 0.664975061017} H5 12 1
1 {} {0.355774495029 0.573233161776 0.799251143147} H6 13 1
1 {} {0.333198458402 0.838258675888 0.415389535454} H7 14 1
1 {} {0.473204742799 0.683925111563 0.332260180664} H8 15 1
1 {} {0.606537759926 0.670242126726 0.53938854225} H10 16 1
8 {} {0.366951786296 0.586364370956 0.543587983761} O 17 1
1 {} {0.317549047167 0.817146772386 0.486170009942} 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