iterations/neb0_image02_iter7.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.467987833228 0.240040115622 0.475101186996} O1 1 1
14 {} {0.328622599208 0.244700887628 0.559730800808} Si1 2 1
14 {} {0.602722994527 0.323650378725 0.434228187743} Si2 3 1
8 {} {0.561380414209 0.471963024371 0.369900511987} O2 4 1
8 {} {0.331845452496 0.374929407419 0.660123612569} O3 5 1
14 {} {0.270591323541 0.517463814757 0.720956909283} Si3 6 1
14 {} {0.516026428858 0.635433808825 0.379311559045} Si4 7 1
1 {} {0.320390254295 0.123844680856 0.644841653166} H1 8 1
1 {} {0.214254539807 0.256444411919 0.466304817874} H2 9 1
1 {} {0.673138665055 0.245434614712 0.329232043581} H3 10 1
1 {} {0.687766988176 0.344031579401 0.554819885403} H4 11 1
1 {} {0.122842016071 0.493343411661 0.73643214293} H5 12 1
1 {} {0.342496925393 0.536632625399 0.849192093004} H6 13 1
1 {} {0.383261555695 0.709921147553 0.346404438479} H7 14 1
1 {} {0.599662883999 0.701619839763 0.275028155512} H8 15 1
1 {} {0.566705929777 0.686207592169 0.512291614133} H10 16 1
8 {} {0.286767984148 0.63779220193 0.617865389842} O 17 1
1 {} {0.333621353353 0.729064417657 0.599292992557} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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