./iterations/neb0_image03_iter28.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 {} {0.470050120034 0.232682963883 0.47977746238} O1 1 1
14 {} {0.331931740887 0.240430365981 0.567729759625} Si1 2 1
14 {} {0.593584368002 0.331469567042 0.433574138799} Si2 3 1
8 {} {0.535557124787 0.4778235404 0.385037091387} O2 4 1
8 {} {0.332779161358 0.376839564929 0.659316245925} O3 5 1
14 {} {0.274140868006 0.522328756999 0.708323660967} Si3 6 1
14 {} {0.523252663561 0.643201243014 0.389427363543} Si4 7 1
1 {} {0.32655623811 0.119603353619 0.655296602349} H1 8 1
1 {} {0.215302021191 0.24181254283 0.475709446582} H2 9 1
1 {} {0.664983875316 0.249859172166 0.329257213263} H3 10 1
1 {} {0.688394704326 0.338001387152 0.550452018477} H4 11 1
1 {} {0.128054843777 0.510199006487 0.719146010022} H5 12 1
1 {} {0.340810999956 0.552806429276 0.836438490882} H6 13 1
1 {} {0.390117883297 0.70496535486 0.378405066912} H7 14 1
1 {} {0.591409406877 0.696363549984 0.268646045403} H8 15 1
1 {} {0.574931853663 0.682333393167 0.520773876232} H10 16 1
8 {} {0.31143165905 0.629181248727 0.585508622982} O 17 1
1 {} {0.316796592994 0.722616527625 0.588238873441} 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