iterations/neb0_image09_iter164.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 {} {0.472077003491 0.21721560582 0.49388219271} O1 1 1
14 {} {0.333789230752 0.215676649703 0.583076955463} Si1 2 1
14 {} {0.60538932383 0.298487720674 0.444664719006} Si2 3 1
8 {} {0.566871682201 0.452614996003 0.400376428243} O2 4 1
8 {} {0.323705343051 0.349468346666 0.677942755122} O3 5 1
14 {} {0.298944967325 0.512346053225 0.672966445351} Si3 6 1
14 {} {0.509619332983 0.597763256342 0.451848693102} Si4 7 1
1 {} {0.336061455114 0.0967906242462 0.671967391556} H1 8 1
1 {} {0.218487595998 0.213001277521 0.488957641724} H2 9 1
1 {} {0.659477776342 0.229050308932 0.325152777568} H3 10 1
1 {} {0.704366457573 0.302699203822 0.556285212612} H4 11 1
1 {} {0.15380573945 0.540478814211 0.658268358209} H5 12 1
1 {} {0.355018670476 0.568827337377 0.798565033007} H6 13 1
1 {} {0.319862141227 0.901496644349 0.423387575162} H7 14 1
1 {} {0.473534574836 0.677556720987 0.331573603911} H8 15 1
1 {} {0.614462122854 0.66503033885 0.534150157343} H10 16 1
8 {} {0.374071333287 0.578897725997 0.54214589985} O 17 1
1 {} {0.290541357914 0.855116293316 0.475845908536} 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