./iterations/neb0_image09_iter279.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 {} {0.47279498955 0.211179440739 0.494913629333} O1 1 1
14 {} {0.333385199701 0.214499986263 0.582092715171} Si1 2 1
14 {} {0.606813589603 0.293339731485 0.447295822365} Si2 3 1
8 {} {0.571268975809 0.449683326946 0.410784465971} O2 4 1
8 {} {0.322574079628 0.351493144082 0.672251886683} O3 5 1
14 {} {0.300413557039 0.514595895805 0.67052081787} Si3 6 1
14 {} {0.51240741913 0.596926985681 0.452348069615} Si4 7 1
1 {} {0.334055995662 0.0994420675521 0.675951666634} H1 8 1
1 {} {0.218987931227 0.208698489994 0.486578616225} H2 9 1
1 {} {0.658263089328 0.229182789429 0.324019282415} H3 10 1
1 {} {0.707147268978 0.29004283036 0.557302645003} H4 11 1
1 {} {0.155579408771 0.545757572366 0.660224666514} H5 12 1
1 {} {0.360679836041 0.567850919589 0.795368228833} H6 13 1
1 {} {0.313029772378 0.919089265858 0.437615371796} H7 14 1
1 {} {0.47827979419 0.67012164184 0.328268307594} H8 15 1
1 {} {0.614992145532 0.66876519825 0.533051169316} H10 16 1
8 {} {0.373795163804 0.582492139344 0.539734566175} O 17 1
1 {} {0.275617988056 0.859356466874 0.462735724112} 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