./iterations/neb0_image06_iter272.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.470804741688 0.24963637503 0.489188153344} O1 1 1
14 {} {0.325004786238 0.221304984402 0.560084354603} Si1 2 1
14 {} {0.608160897779 0.335708056594 0.471292990345} Si2 3 1
8 {} {0.584268984778 0.48967863085 0.525762005679} O2 4 1
8 {} {0.25870717922 0.353712291055 0.632889807357} O3 5 1
14 {} {0.275822655168 0.516060426721 0.655928066387} Si3 6 1
14 {} {0.493643588905 0.611766031729 0.459386931248} Si4 7 1
1 {} {0.340683312238 0.119390144674 0.667194630107} H1 8 1
1 {} {0.236607518963 0.176611695848 0.450204981411} H2 9 1
1 {} {0.640524011273 0.343475746394 0.324840717255} H3 10 1
1 {} {0.718333600385 0.275592771101 0.551833689927} H4 11 1
1 {} {0.145009859903 0.563108550103 0.7133058961} H5 12 1
1 {} {0.381855969933 0.560840252036 0.750844282913} H6 13 1
1 {} {0.399230757463 0.792303926201 0.502702675397} H7 14 1
1 {} {0.473514751505 0.613967769525 0.313472623058} H8 15 1
1 {} {0.594908653722 0.724511214327 0.476195122601} H10 16 1
8 {} {0.327499463312 0.574945978834 0.508761104177} O 17 1
1 {} {0.335505324479 0.749903294344 0.477170294279} 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