./iterations/neb0_image07_iter230.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.475202445734 0.226167948892 0.496830736426} O1 1 1
14 {} {0.335248387132 0.214952846742 0.581849060502} Si1 2 1
14 {} {0.615977698848 0.298715859713 0.45347996384} Si2 3 1
8 {} {0.596313111717 0.459664566177 0.426138030269} O2 4 1
8 {} {0.309605708791 0.34879730049 0.674829264344} O3 5 1
14 {} {0.291063003752 0.510753420992 0.648490202067} Si3 6 1
14 {} {0.496238363237 0.589567560526 0.43242246796} Si4 7 1
1 {} {0.343320465262 0.0991645281172 0.673827354023} H1 8 1
1 {} {0.223038665911 0.200911970515 0.485358635946} H2 9 1
1 {} {0.659422048066 0.23297008862 0.327640609619} H3 10 1
1 {} {0.716789873309 0.286455743636 0.562718239794} H4 11 1
1 {} {0.147340797993 0.549956435911 0.647203990757} H5 12 1
1 {} {0.367020672882 0.579514580662 0.756753817162} H6 13 1
1 {} {0.341115433622 0.926055742135 0.505158120444} H7 14 1
1 {} {0.4699472212 0.633835169045 0.29333595243} H8 15 1
1 {} {0.558610084695 0.693716034614 0.518064962197} H10 16 1
8 {} {0.351073366262 0.551099518594 0.50030640974} O 17 1
1 {} {0.312758542183 0.870218505359 0.546649946584} 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
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4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
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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