./iterations/neb0_image04_iter143.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 {} {0.46458100176 0.2444104835 0.486598085356} O1 1 1
14 {} {0.326969850459 0.228017877574 0.573388534622} Si1 2 1
14 {} {0.586339356542 0.34491987225 0.441358501351} Si2 3 1
8 {} {0.530208046511 0.495298606277 0.411555909711} O2 4 1
8 {} {0.309004816453 0.352433897561 0.680332226231} O3 5 1
14 {} {0.266977956674 0.50921202553 0.703750690902} Si3 6 1
14 {} {0.544037022068 0.659151358975 0.401755350102} Si4 7 1
1 {} {0.333505513502 0.103382136603 0.65408398034} H1 8 1
1 {} {0.212018230195 0.224761579164 0.478284195371} H2 9 1
1 {} {0.645947985741 0.283497734334 0.319561386417} H3 10 1
1 {} {0.689514619992 0.352175069881 0.549613016523} H4 11 1
1 {} {0.11898333592 0.524662225229 0.716937443649} H5 12 1
1 {} {0.341837572607 0.555630966818 0.823640218104} H6 13 1
1 {} {0.416072274827 0.733628107409 0.405096067501} H7 14 1
1 {} {0.600402977967 0.688328617247 0.268110241862} H8 15 1
1 {} {0.63590281986 0.707845201023 0.508735168696} H10 16 1
8 {} {0.319316304102 0.596503250411 0.573263768091} O 17 1
1 {} {0.268466372765 0.668658878572 0.534993241016} 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