iterations/neb0_image09_iter54.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 {} {0.472393984453 0.211741774407 0.494113927401} O1 1 1
14 {} {0.336114955045 0.216160325728 0.586396426621} Si1 2 1
14 {} {0.602952949485 0.298856976154 0.445030250047} Si2 3 1
8 {} {0.560100514365 0.451671486466 0.402177919108} O2 4 1
8 {} {0.329550354464 0.35526106069 0.674647708571} O3 5 1
14 {} {0.296370953178 0.516452775544 0.669238687043} Si3 6 1
14 {} {0.506711458051 0.599048022894 0.451042916362} Si4 7 1
1 {} {0.34075350008 0.102937448637 0.682500674017} H1 8 1
1 {} {0.217607506226 0.208790638007 0.495991483572} H2 9 1
1 {} {0.6584767321 0.231576067376 0.325057026124} H3 10 1
1 {} {0.70232453505 0.307719991843 0.555970396162} H4 11 1
1 {} {0.149695853247 0.538287321465 0.655989034972} H5 12 1
1 {} {0.350687083215 0.576857999833 0.793988697211} H6 13 1
1 {} {0.32361169376 0.877819422367 0.412973415802} H7 14 1
1 {} {0.477469415259 0.677071943 0.328811321098} H8 15 1
1 {} {0.61017701502 0.664087460931 0.536251942027} H10 16 1
8 {} {0.367679113744 0.585812845712 0.538718403641} O 17 1
1 {} {0.307408547726 0.852364387319 0.482157763392} 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