./iterations/neb0_image09_iter102.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 {} {0.471914138112 0.213998117275 0.494659753597} O1 1 1
14 {} {0.335492208921 0.21605911251 0.585835213561} Si1 2 1
14 {} {0.603203686636 0.299504913412 0.444828720998} Si2 3 1
8 {} {0.561403462269 0.452172498588 0.401014955202} O2 4 1
8 {} {0.327716403568 0.353802571156 0.676175009413} O3 5 1
14 {} {0.29685805862 0.515234462754 0.669984369393} Si3 6 1
14 {} {0.507259712773 0.599062286989 0.450856363313} Si4 7 1
1 {} {0.339328507483 0.101531341811 0.680065605418} H1 8 1
1 {} {0.218204050975 0.210079114248 0.494368363213} H2 9 1
1 {} {0.659052040767 0.232260502274 0.325015092849} H3 10 1
1 {} {0.701995222175 0.30633824924 0.556305611777} H4 11 1
1 {} {0.150317504989 0.538172177243 0.656661376627} H5 12 1
1 {} {0.351458292456 0.575329049622 0.794797661391} H6 13 1
1 {} {0.323082927045 0.880805846399 0.414596748674} H7 14 1
1 {} {0.476504222117 0.678714818037 0.329760045808} H8 15 1
1 {} {0.611735576901 0.663733660764 0.534881920713} H10 16 1
8 {} {0.369062262593 0.583473073309 0.539633355888} O 17 1
1 {} {0.305497892019 0.852246171242 0.481617795623} 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