iterations/neb0_image06_iter60.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 {} {0.469369159351 0.219807233426 0.483059894772} O1 1 1
14 {} {0.331286151612 0.227413193088 0.573100611653} Si1 2 1
14 {} {0.59444802811 0.319223010435 0.443004950869} Si2 3 1
8 {} {0.538820767732 0.468157149119 0.405588233178} O2 4 1
8 {} {0.33150494047 0.358317382356 0.672875373513} O3 5 1
14 {} {0.294579306667 0.517993213059 0.683546550385} Si3 6 1
14 {} {0.497711111969 0.620006664486 0.451350731126} Si4 7 1
1 {} {0.329324780966 0.109417262342 0.663149033165} H1 8 1
1 {} {0.213644173181 0.232802394846 0.479947088156} H2 9 1
1 {} {0.657885913395 0.262638184979 0.321868958644} H3 10 1
1 {} {0.691121367301 0.335049501786 0.555719475186} H4 11 1
1 {} {0.146501310933 0.538137600663 0.679195074128} H5 12 1
1 {} {0.348645655272 0.571193426531 0.811721050432} H6 13 1
1 {} {0.368066820926 0.78474010523 0.424804614278} H7 14 1
1 {} {0.504109773002 0.682803928019 0.314973177687} H8 15 1
1 {} {0.599364685 0.689928345446 0.536243947906} H10 16 1
8 {} {0.365734086253 0.592334152051 0.554568564906} O 17 1
1 {} {0.32796808706 0.742555204295 0.476340653457} 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