./iterations/neb0_image09_iter23.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 {} {0.471658155091 0.214941891533 0.495020453781} O1 1 1
14 {} {0.33619794865 0.217546254863 0.587623318126} Si1 2 1
14 {} {0.603282528583 0.299042639719 0.444320778135} Si2 3 1
8 {} {0.559024995085 0.450943531804 0.400692976036} O2 4 1
8 {} {0.328013501183 0.3565655911 0.674570443187} O3 5 1
14 {} {0.294699191521 0.516861839592 0.670194750384} Si3 6 1
14 {} {0.50700473017 0.599311275846 0.449036879256} Si4 7 1
1 {} {0.342509992454 0.104718978393 0.68460436072} H1 8 1
1 {} {0.217847189801 0.207316854314 0.49697455866} H2 9 1
1 {} {0.658546951382 0.227761902917 0.326098774027} H3 10 1
1 {} {0.703088640953 0.306910514821 0.554850794286} H4 11 1
1 {} {0.147781300487 0.533469751578 0.662045010547} H5 12 1
1 {} {0.345873569275 0.572530497997 0.797532181337} H6 13 1
1 {} {0.322192574456 0.882073014468 0.41412431462} H7 14 1
1 {} {0.488571422427 0.674410256063 0.322595926755} H8 15 1
1 {} {0.608905432312 0.665235308695 0.534030905178} H10 16 1
8 {} {0.368361279505 0.586560782182 0.537089481611} O 17 1
1 {} {0.306526754813 0.856317064406 0.479652089356} 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