./iterations/neb0_image02_iter297.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.453705089094 0.268291557904 0.481301349945} O1 1 1
14 {} {0.32509202881 0.24185400815 0.579610879021} Si1 2 1
14 {} {0.58521761038 0.347529755769 0.427836419489} Si2 3 1
8 {} {0.542201754211 0.493383479078 0.365449919799} O2 4 1
8 {} {0.310640774373 0.360383080788 0.693185941465} O3 5 1
14 {} {0.241042351861 0.502317215444 0.733569233754} Si3 6 1
14 {} {0.56485511949 0.655762491352 0.357525536423} Si4 7 1
1 {} {0.347072125591 0.114140268488 0.65016054177} H1 8 1
1 {} {0.203419672513 0.238357406069 0.495192623063} H2 9 1
1 {} {0.645602131569 0.266525562668 0.31923893115} H3 10 1
1 {} {0.680947865419 0.369635564187 0.539957997047} H4 11 1
1 {} {0.0958569525353 0.483276266491 0.756478371994} H5 12 1
1 {} {0.311021915364 0.550853004758 0.8556600515} H6 13 1
1 {} {0.43587693847 0.719992859316 0.318481925259} H7 14 1
1 {} {0.6703654933 0.689893895148 0.257578013454} H8 15 1
1 {} {0.604911668462 0.707160560771 0.493087491853} H10 16 1
8 {} {0.251972906344 0.613246659482 0.611807281908} O 17 1
1 {} {0.340284131835 0.649914674588 0.594935051239} 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