iterations/neb0_image06_iter44.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.469437018561 0.223193566541 0.482580334358} O1 1 1
14 {} {0.332151212926 0.229206904136 0.570585603919} Si1 2 1
14 {} {0.594381765555 0.321420783696 0.441362731778} Si2 3 1
8 {} {0.537669907236 0.468278799313 0.404587889803} O2 4 1
8 {} {0.333473877218 0.360759410451 0.666594314584} O3 5 1
14 {} {0.294334882965 0.518282425274 0.683642032262} Si3 6 1
14 {} {0.498177138552 0.620831423096 0.449741496253} Si4 7 1
1 {} {0.329543011782 0.112997172109 0.660467480276} H1 8 1
1 {} {0.215075551624 0.234548412035 0.480251839284} H2 9 1
1 {} {0.66038874382 0.255659526845 0.326561842562} H3 10 1
1 {} {0.691070119647 0.333584918856 0.55273359447} H4 11 1
1 {} {0.144481997343 0.533187463569 0.687826192707} H5 12 1
1 {} {0.345302858359 0.568482988648 0.814921326302} H6 13 1
1 {} {0.361616613582 0.787104058133 0.424775240594} H7 14 1
1 {} {0.508930834648 0.682647345255 0.312109778544} H8 15 1
1 {} {0.597017106788 0.68658803414 0.537988625146} H10 16 1
8 {} {0.365565949818 0.593502043925 0.55661902323} O 17 1
1 {} {0.331467534646 0.742242677055 0.477708636506} 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