./iterations/neb0_image07_iter38.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.469805639218 0.222846707035 0.482935360491} O1 1 1
14 {} {0.332701519536 0.227543390142 0.572140799767} Si1 2 1
14 {} {0.598741225869 0.313312494489 0.441593848772} Si2 3 1
8 {} {0.546809231871 0.462799906333 0.399698488443} O2 4 1
8 {} {0.333238302393 0.357992414981 0.66928963558} O3 5 1
14 {} {0.296013029799 0.516707519948 0.679480338205} Si3 6 1
14 {} {0.50043994293 0.610108402015 0.453736657465} Si4 7 1
1 {} {0.329809912085 0.109894398753 0.660327121409} H1 8 1
1 {} {0.216305620457 0.233212130329 0.480819394862} H2 9 1
1 {} {0.663701484631 0.246959692626 0.327673934823} H3 10 1
1 {} {0.693402143108 0.32897022308 0.553611198502} H4 11 1
1 {} {0.148514459749 0.530052472141 0.686390087141} H5 12 1
1 {} {0.346175932876 0.566062243507 0.80973733163} H6 13 1
1 {} {0.342752386058 0.807635307474 0.416543462376} H7 14 1
1 {} {0.496481208342 0.682355833967 0.320175691272} H8 15 1
1 {} {0.599915545284 0.68133241582 0.540831288024} H10 16 1
8 {} {0.365075382713 0.590245755214 0.547873132044} O 17 1
1 {} {0.330203184052 0.784486659038 0.488200218164} 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