iterations/neb0_image04_iter253.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.466284425934 0.26231500254 0.492105297665} O1 1 1
14 {} {0.325092856395 0.22978144159 0.568584931622} Si1 2 1
14 {} {0.598173946956 0.348694224487 0.447587189252} Si2 3 1
8 {} {0.556138070886 0.505461902316 0.427871407237} O2 4 1
8 {} {0.283779231691 0.347011694769 0.674589037358} O3 5 1
14 {} {0.241283913118 0.50327681795 0.700243673393} Si3 6 1
14 {} {0.581754156659 0.666378766401 0.400409967953} Si4 7 1
1 {} {0.343811544804 0.105172243076 0.646950554075} H1 8 1
1 {} {0.217828176981 0.214201729827 0.465989249165} H2 9 1
1 {} {0.647948259021 0.291458901264 0.317858404296} H3 10 1
1 {} {0.701539541599 0.339549908812 0.55663102916} H4 11 1
1 {} {0.106913405088 0.508581339418 0.763327350915} H5 12 1
1 {} {0.343180603703 0.562378035218 0.791024694534} H6 13 1
1 {} {0.457847741978 0.738962612805 0.438060458773} H7 14 1
1 {} {0.614711402669 0.689099768746 0.256438634014} H8 15 1
1 {} {0.695713175615 0.716593884323 0.483204731124} H10 16 1
8 {} {0.237354661596 0.579268384373 0.552206977752} O 17 1
1 {} {0.190730836941 0.664331155676 0.547974672253} 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