./iterations/neb0_image06_iter260.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 {} {0.473124024171 0.239603416893 0.490894726414} O1 1 1
14 {} {0.327350571685 0.21792792505 0.563137749729} Si1 2 1
14 {} {0.608052515208 0.328191647503 0.46528209388} Si2 3 1
8 {} {0.577860545446 0.48466585362 0.50053251326} O2 4 1
8 {} {0.279319211937 0.353916750471 0.641467599369} O3 5 1
14 {} {0.281049999399 0.516865191803 0.65264399613} Si3 6 1
14 {} {0.490430570622 0.614657475187 0.452385047393} Si4 7 1
1 {} {0.337740108116 0.110939308397 0.666244564248} H1 8 1
1 {} {0.22957491805 0.184608112965 0.455462556886} H2 9 1
1 {} {0.646636452787 0.319640034051 0.321914973231} H3 10 1
1 {} {0.715315405269 0.283350479228 0.556665774077} H4 11 1
1 {} {0.145878536536 0.551424077124 0.706096732745} H5 12 1
1 {} {0.382747100266 0.57108911237 0.74590272151} H6 13 1
1 {} {0.391039851479 0.802029391374 0.518742233781} H7 14 1
1 {} {0.47389287241 0.631155777207 0.306168049654} H8 15 1
1 {} {0.594077708941 0.720004431872 0.487857127111} H10 16 1
8 {} {0.328714555189 0.578226949612 0.505862123473} O 17 1
1 {} {0.327281048106 0.764222088833 0.493797645675} 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