iterations/neb0_image05_iter292.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.468771324448 0.282641061712 0.493839273323} O1 1 1
14 {} {0.325783764569 0.236674062066 0.558519547384} Si1 2 1
14 {} {0.617537413301 0.348995845982 0.474812550461} Si2 3 1
8 {} {0.613654660363 0.504835607962 0.528768007776} O2 4 1
8 {} {0.245806626499 0.366345848265 0.619957543441} O3 5 1
14 {} {0.227793487168 0.52693952903 0.648802036214} Si3 6 1
14 {} {0.579174297321 0.654119431905 0.466643148899} Si4 7 1
1 {} {0.346685336952 0.13936131307 0.669393553856} H1 8 1
1 {} {0.243277202561 0.178231708316 0.448675140141} H2 9 1
1 {} {0.647622667963 0.348585420607 0.33003118838} H3 10 1
1 {} {0.715543821089 0.2738932614 0.557004048437} H4 11 1
1 {} {0.120886213602 0.554293377584 0.749333684907} H5 12 1
1 {} {0.361273063177 0.566273725892 0.700119635368} H6 13 1
1 {} {0.549578678203 0.746676157984 0.579668317841} H7 14 1
1 {} {0.461483430645 0.647018068362 0.376082886982} H8 15 1
1 {} {0.697931617273 0.702591320941 0.387172179925} H10 16 1
8 {} {0.182427730443 0.613709237365 0.515477710756} O 17 1
1 {} {0.204854737551 0.581333186354 0.426757801675} 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