./iterations/neb0_image09_iter85.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472341960426 0.213469065668 0.494932126917} O1 1 1
14 {} {0.335867749168 0.216404240733 0.586346158867} Si1 2 1
14 {} {0.60313374779 0.299444734415 0.444961520481} Si2 3 1
8 {} {0.560178115803 0.452002879549 0.401185022072} O2 4 1
8 {} {0.328314090122 0.354497381142 0.675967944451} O3 5 1
14 {} {0.296778396593 0.516015014185 0.669440435719} Si3 6 1
14 {} {0.506925546474 0.599303680255 0.450974464003} Si4 7 1
1 {} {0.339696421956 0.101887463605 0.680885677504} H1 8 1
1 {} {0.218271706094 0.209413563568 0.494980942744} H2 9 1
1 {} {0.659128897218 0.232567129944 0.324992742036} H3 10 1
1 {} {0.70179317404 0.305585749354 0.556643109417} H4 11 1
1 {} {0.150325643053 0.538027078762 0.656095774248} H5 12 1
1 {} {0.351330780329 0.575795339996 0.794161655425} H6 13 1
1 {} {0.323361236249 0.878837724598 0.414112767436} H7 14 1
1 {} {0.475812099778 0.678947543002 0.329700809595} H8 15 1
1 {} {0.611649121651 0.663628331342 0.535479454662} H10 16 1
8 {} {0.368490494078 0.584578580017 0.538456828384} O 17 1
1 {} {0.30668698683 0.852112444544 0.481740537168} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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