iterations/neb0_image08_iter216.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471524188247 0.225948110274 0.49306048614} O1 1 1
14 {} {0.330497966634 0.219414833375 0.576559852678} Si1 2 1
14 {} {0.612846972418 0.298066920897 0.450552127785} Si2 3 1
8 {} {0.590922814648 0.457002082243 0.415422673648} O2 4 1
8 {} {0.313840411174 0.348922775151 0.677213905981} O3 5 1
14 {} {0.300321279333 0.512890057213 0.670489663909} Si3 6 1
14 {} {0.512239788592 0.597318831692 0.448923099828} Si4 7 1
1 {} {0.331524052104 0.09710256975 0.660813743485} H1 8 1
1 {} {0.218655637781 0.218212234146 0.478119172996} H2 9 1
1 {} {0.663322541941 0.230495509279 0.328269708359} H3 10 1
1 {} {0.709218159085 0.288054653667 0.563864708809} H4 11 1
1 {} {0.157107227515 0.551676789932 0.660413354973} H5 12 1
1 {} {0.364664202846 0.568473419469 0.792722875883} H6 13 1
1 {} {0.313015765089 0.903298420079 0.471468746599} H7 14 1
1 {} {0.471479595476 0.657048508092 0.319491270849} H8 15 1
1 {} {0.601984823321 0.68612421154 0.528366086957} H10 16 1
8 {} {0.375339096719 0.569860417863 0.53586582296} O 17 1
1 {} {0.271581736094 0.842607524257 0.45944044771} 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