./iterations/neb0_image03_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_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 {} {0.469704254088 0.231867513788 0.479336358259} O1 1 1
14 {} {0.331438674349 0.240857816531 0.567837370464} Si1 2 1
14 {} {0.596302822865 0.329244144976 0.433552109544} Si2 3 1
8 {} {0.541737116124 0.477664316594 0.382436472167} O2 4 1
8 {} {0.331930997483 0.377194647724 0.660831026488} O3 5 1
14 {} {0.274492364645 0.522268065975 0.708526372588} Si3 6 1
14 {} {0.518859664605 0.64285597052 0.389391067962} Si4 7 1
1 {} {0.325966588708 0.11851301605 0.654849794828} H1 8 1
1 {} {0.214607868974 0.24298271102 0.474060580858} H2 9 1
1 {} {0.66743339559 0.245633068446 0.328877911364} H3 10 1
1 {} {0.690106867226 0.336563660832 0.552823103701} H4 11 1
1 {} {0.128025753576 0.507228480427 0.719850102547} H5 12 1
1 {} {0.341618588512 0.549670311082 0.837869963496} H6 13 1
1 {} {0.387800470587 0.713925143867 0.373958816254} H7 14 1
1 {} {0.588022370634 0.696402779022 0.271451848528} H8 15 1
1 {} {0.573826011029 0.68092795891 0.519633238695} H10 16 1
8 {} {0.308814083502 0.627234546201 0.589966658502} O 17 1
1 {} {0.319398237398 0.731483816852 0.585805193556} 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