./iterations/neb0_image03_iter43.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 {} {0.468414289726 0.232237598576 0.480094150596} O1 1 1
14 {} {0.331304172933 0.239616385476 0.567933574198} Si1 2 1
14 {} {0.591538185349 0.330731308582 0.43493088297} Si2 3 1
8 {} {0.531161247881 0.474529453945 0.38645083462} O2 4 1
8 {} {0.333026508543 0.375369862354 0.66043971038} O3 5 1
14 {} {0.274135355265 0.520024631462 0.705614817467} Si3 6 1
14 {} {0.526630556126 0.640912004771 0.389310566609} Si4 7 1
1 {} {0.328041765488 0.121620742059 0.657166956282} H1 8 1
1 {} {0.214457610987 0.240532247548 0.47673108485} H2 9 1
1 {} {0.660335426218 0.260501633309 0.325064961638} H3 10 1
1 {} {0.685736815957 0.345604656665 0.548511835735} H4 11 1
1 {} {0.125305346351 0.514525437648 0.7194568131} H5 12 1
1 {} {0.339758376702 0.558765117569 0.83445042958} H6 13 1
1 {} {0.389163328018 0.695334894069 0.379316933658} H7 14 1
1 {} {0.599796632138 0.694370515791 0.268946630791} H8 15 1
1 {} {0.583901236326 0.688296352318 0.521426869683} H10 16 1
8 {} {0.31383053228 0.619893379753 0.584377678099} O 17 1
1 {} {0.31354872903 0.719651746174 0.590833254122} 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