iterations/neb0_image08_iter10.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.470454008152 0.219991740284 0.491818688433} O1 1 1
14 {} {0.334792078203 0.219707047529 0.581552608936} Si1 2 1
14 {} {0.603924756012 0.302358620724 0.442449529277} Si2 3 1
8 {} {0.562126839444 0.453831742146 0.39281552698} O2 4 1
8 {} {0.328082581952 0.359167931274 0.675232029733} O3 5 1
14 {} {0.291227364998 0.517516019057 0.67725530862} Si3 6 1
14 {} {0.499886720573 0.601780754394 0.445678155744} Si4 7 1
1 {} {0.338945135306 0.108537974875 0.677815438981} H1 8 1
1 {} {0.217247064635 0.215808485278 0.491586987459} H2 9 1
1 {} {0.661355837996 0.229912714639 0.326396508877} H3 10 1
1 {} {0.700881384455 0.313245418655 0.555295866198} H4 11 1
1 {} {0.13829478289 0.524586346172 0.67759432701} H5 12 1
1 {} {0.345155468569 0.565458757515 0.811424391186} H6 13 1
1 {} {0.327909079485 0.85256345041 0.417213724816} H7 14 1
1 {} {0.510493815839 0.681256110383 0.309202794992} H8 15 1
1 {} {0.602273154771 0.670126549659 0.529952148478} H10 16 1
8 {} {0.362360963433 0.598652068121 0.544173245375} O 17 1
1 {} {0.314675113465 0.838016230357 0.483600719389} 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