iterations/neb0_image08_iter281.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 {} {0.474007757328 0.214101427481 0.493522712827} O1 1 1
14 {} {0.333499386171 0.215229743679 0.578880671232} Si1 2 1
14 {} {0.612222744991 0.293647422119 0.453432097466} Si2 3 1
8 {} {0.58588322739 0.453460772974 0.428663405709} O2 4 1
8 {} {0.315922190733 0.352754371161 0.667342074872} O3 5 1
14 {} {0.297162853082 0.515902960109 0.659889312806} Si3 6 1
14 {} {0.506691467375 0.596264372127 0.444094939577} Si4 7 1
1 {} {0.335303245229 0.102545553036 0.675177932383} H1 8 1
1 {} {0.222086866426 0.204664109207 0.480797662078} H2 9 1
1 {} {0.663331635419 0.236709160303 0.32681750557} H3 10 1
1 {} {0.710146225989 0.27824922424 0.564026129436} H4 11 1
1 {} {0.152417721846 0.549503454099 0.65957135446} H5 12 1
1 {} {0.36767175314 0.57452822869 0.776743610662} H6 13 1
1 {} {0.316378122093 0.916688712136 0.473163490047} H7 14 1
1 {} {0.476402085166 0.650248589076 0.309199509843} H8 15 1
1 {} {0.593582820379 0.689188815951 0.521600511479} H10 16 1
8 {} {0.362790597071 0.576324004213 0.52122910122} O 17 1
1 {} {0.284585461243 0.852506932489 0.496905745879} 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