iterations/neb0_image01_iter260.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.462606406943 0.259125009899 0.479524848418} O1 1 1
14 {} {0.327328506096 0.249470793629 0.571391958289} Si1 2 1
14 {} {0.595669631098 0.338581016955 0.426264454015} Si2 3 1
8 {} {0.554864688007 0.477852716262 0.349887066843} O2 4 1
8 {} {0.321851344813 0.369933262039 0.682408141572} O3 5 1
14 {} {0.254164153583 0.511409397095 0.732880202611} Si3 6 1
14 {} {0.540263486734 0.64139383348 0.359117712498} Si4 7 1
1 {} {0.331601213832 0.12003104586 0.643974269588} H1 8 1
1 {} {0.208746135471 0.258272428872 0.482014239912} H2 9 1
1 {} {0.662907308571 0.251368447672 0.327045958623} H3 10 1
1 {} {0.682837600493 0.371353123196 0.542446975266} H4 11 1
1 {} {0.107646046363 0.494197267884 0.747049075149} H5 12 1
1 {} {0.321411364903 0.546271917628 0.860818947243} H6 13 1
1 {} {0.406668987822 0.681014729675 0.306721286696} H7 14 1
1 {} {0.648816800863 0.705925174345 0.280348001076} H8 15 1
1 {} {0.55272256827 0.68698226265 0.501510568431} H10 16 1
8 {} {0.271560008584 0.633190012656 0.622421896127} O 17 1
1 {} {0.358419650376 0.676145278028 0.615232288813} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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