./iterations/neb0_image06_iter132.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.470214051256 0.227894959591 0.488260271382} O1 1 1
14 {} {0.329119546356 0.224275486406 0.572794627693} Si1 2 1
14 {} {0.6016568104 0.320220603141 0.449360965902} Si2 3 1
8 {} {0.565551560577 0.475367280459 0.423675281796} O2 4 1
8 {} {0.319286543152 0.353252300403 0.67363777861} O3 5 1
14 {} {0.290207226191 0.515758107335 0.664811317414} Si3 6 1
14 {} {0.491295978175 0.619716470948 0.446305648416} Si4 7 1
1 {} {0.33044237377 0.102917972598 0.657934076141} H1 8 1
1 {} {0.214638658122 0.223073758012 0.476262518983} H2 9 1
1 {} {0.656708252191 0.263831566978 0.322653969133} H3 10 1
1 {} {0.701751570581 0.318470573788 0.561064666895} H4 11 1
1 {} {0.143172794351 0.536171445042 0.680906515809} H5 12 1
1 {} {0.364632442275 0.58169683271 0.775352855015} H6 13 1
1 {} {0.386121450329 0.804139687106 0.477417121069} H7 14 1
1 {} {0.481457904047 0.676957834394 0.308234062215} H8 15 1
1 {} {0.589653137942 0.698074369972 0.527598080547} H10 16 1
8 {} {0.34461722148 0.571861070025 0.51904381664} O 17 1
1 {} {0.329558550141 0.758837576679 0.505744408284} 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