./iterations/neb0_image03_iter222.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 {} {0.456512513356 0.267625968722 0.49024761418} O1 1 1
14 {} {0.323780832994 0.238417524533 0.582189158174} Si1 2 1
14 {} {0.5827116528 0.35145465913 0.429683984858} Si2 3 1
8 {} {0.533733664506 0.495006685068 0.368232575391} O2 4 1
8 {} {0.304473595192 0.350789319545 0.70010698133} O3 5 1
14 {} {0.256180766262 0.503681185753 0.73885536349} Si3 6 1
14 {} {0.564868638061 0.656600547729 0.361384536445} Si4 7 1
1 {} {0.340877866047 0.106401780847 0.649228365893} H1 8 1
1 {} {0.206289383948 0.239934578964 0.489903839624} H2 9 1
1 {} {0.641570249019 0.27007319059 0.320994011627} H3 10 1
1 {} {0.682704403419 0.376457728408 0.536872220699} H4 11 1
1 {} {0.107457643782 0.509699256962 0.737792894928} H5 12 1
1 {} {0.316520644914 0.536048969378 0.869763740162} H6 13 1
1 {} {0.437216730522 0.724385902469 0.325802844508} H7 14 1
1 {} {0.665673158835 0.683932335989 0.255155861388} H8 15 1
1 {} {0.615587334213 0.708655155007 0.490935375961} H10 16 1
8 {} {0.315461056364 0.618333412947 0.631892089449} O 17 1
1 {} {0.25846606378 0.635019860324 0.55201621995} 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