./iterations/neb0_image08_iter246.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 {} {0.472631090216 0.224059174371 0.493589430485} O1 1 1
14 {} {0.331606307088 0.218490300539 0.576977840448} Si1 2 1
14 {} {0.613797592365 0.296196775702 0.452273871911} Si2 3 1
8 {} {0.591381455079 0.455587416615 0.421437679256} O2 4 1
8 {} {0.314081404679 0.350048308963 0.6741696278} O3 5 1
14 {} {0.300237634915 0.513766832327 0.666848681252} Si3 6 1
14 {} {0.510997568361 0.595964617964 0.446778819826} Si4 7 1
1 {} {0.332512494747 0.0982499783318 0.663586788669} H1 8 1
1 {} {0.220220933518 0.212896364749 0.478393518948} H2 9 1
1 {} {0.6629476529 0.230571396017 0.328872578908} H3 10 1
1 {} {0.710517226505 0.281782498642 0.564191730621} H4 11 1
1 {} {0.157299942917 0.552590436287 0.658889762522} H5 12 1
1 {} {0.366088914105 0.568458399902 0.788294658863} H6 13 1
1 {} {0.311173304773 0.912747487716 0.474265762434} H7 14 1
1 {} {0.473016535838 0.652698979166 0.315467172801} H8 15 1
1 {} {0.59772168239 0.686945640729 0.52569862866} H10 16 1
8 {} {0.371914977364 0.571637512005 0.530657204276} O 17 1
1 {} {0.271939530152 0.849825761887 0.470663958786} 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