./iterations/neb0_image04_iter184.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.466228811119 0.252181693481 0.488290046875} O1 1 1
14 {} {0.326223786027 0.229867511034 0.570579088364} Si1 2 1
14 {} {0.592335049462 0.345986533237 0.442895002238} Si2 3 1
8 {} {0.54241154415 0.49873924349 0.414508047895} O2 4 1
8 {} {0.295331039924 0.350432347086 0.676712969265} O3 5 1
14 {} {0.255257664702 0.507521875178 0.705304600127} Si3 6 1
14 {} {0.560093114996 0.661633817793 0.398976346183} Si4 7 1
1 {} {0.33931802106 0.105563443014 0.651237341007} H1 8 1
1 {} {0.214990631591 0.219382156766 0.471625743512} H2 9 1
1 {} {0.648000477003 0.29045049187 0.316737765949} H3 10 1
1 {} {0.692046308147 0.344908228988 0.55355733559} H4 11 1
1 {} {0.111661258606 0.517324433579 0.741439609684} H5 12 1
1 {} {0.340815059702 0.55535478708 0.816884946047} H6 13 1
1 {} {0.431326085731 0.733013490416 0.418970854173} H7 14 1
1 {} {0.60870608699 0.691477615947 0.260442863643} H8 15 1
1 {} {0.658211439235 0.711436563216 0.500218188873} H10 16 1
8 {} {0.288636436895 0.590384246701 0.566680779264} O 17 1
1 {} {0.238493222359 0.666859381211 0.535996556911} 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