./iterations/neb0_image02_iter192.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 {} {0.463154559411 0.255338449111 0.490830278871} O1 1 1
14 {} {0.328262260864 0.239760094378 0.582739875802} Si1 2 1
14 {} {0.585393683596 0.345225668514 0.42972264673} Si2 3 1
8 {} {0.528979035681 0.487254610509 0.369236775736} O2 4 1
8 {} {0.31764055814 0.360669760437 0.693259981657} O3 5 1
14 {} {0.249996287665 0.506681634009 0.727145378865} Si3 6 1
14 {} {0.553328797946 0.649965650935 0.361048772908} Si4 7 1
1 {} {0.338867713409 0.110958794111 0.655822965037} H1 8 1
1 {} {0.209327921968 0.241463701975 0.493323577092} H2 9 1
1 {} {0.645411112512 0.266847404661 0.318874007799} H3 10 1
1 {} {0.683992196193 0.374105979805 0.537880336259} H4 11 1
1 {} {0.103334341421 0.490817279269 0.742609045974} H5 12 1
1 {} {0.31667372702 0.555525339415 0.850988667847} H6 13 1
1 {} {0.426613271684 0.715069575272 0.317404717239} H7 14 1
1 {} {0.661712518123 0.681142705446 0.26353098566} H8 15 1
1 {} {0.590685863717 0.702559191925 0.496138311267} H10 16 1
8 {} {0.266452271707 0.613341700027 0.602068943074} O 17 1
1 {} {0.34026000765 0.675790405331 0.598432858793} 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