./iterations/neb0_image03_iter78.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.467700570295 0.233276807499 0.482149679713} O1 1 1
14 {} {0.330141819961 0.237416106273 0.572167426899} Si1 2 1
14 {} {0.589065410975 0.333884939724 0.433584558031} Si2 3 1
8 {} {0.527353093342 0.478388354217 0.387518320189} O2 4 1
8 {} {0.326187247217 0.368701731494 0.670144138877} O3 5 1
14 {} {0.271800699491 0.517755655633 0.709414333818} Si3 6 1
14 {} {0.531455230659 0.643291078345 0.386839412147} Si4 7 1
1 {} {0.328128088679 0.116651690664 0.659047463111} H1 8 1
1 {} {0.213705102492 0.239394068618 0.479464935996} H2 9 1
1 {} {0.65720633711 0.269261212881 0.317457365561} H3 10 1
1 {} {0.682508280074 0.353281176484 0.548754790231} H4 11 1
1 {} {0.123825427141 0.513903386813 0.721584525591} H5 12 1
1 {} {0.336527332844 0.559529469407 0.83661437579} H6 13 1
1 {} {0.394238564422 0.697392619709 0.366687405224} H7 14 1
1 {} {0.614190945152 0.687940276284 0.271964569025} H8 15 1
1 {} {0.593698985297 0.693568339366 0.512470783206} H10 16 1
8 {} {0.316772425657 0.615986893104 0.585159573868} O 17 1
1 {} {0.305580549698 0.71289414749 0.590034350535} 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