iterations/neb0_image06_iter137.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 {} {0.471004305065 0.22951966975 0.48632929428} O1 1 1
14 {} {0.330008317443 0.222733076732 0.570354033017} Si1 2 1
14 {} {0.603434887445 0.319870617467 0.449576595828} Si2 3 1
8 {} {0.571222079953 0.478401347479 0.429598931118} O2 4 1
8 {} {0.314646915906 0.353248975226 0.671639931953} O3 5 1
14 {} {0.286927563285 0.514213201306 0.662513323767} Si3 6 1
14 {} {0.489025852563 0.6164187957 0.447617546768} Si4 7 1
1 {} {0.33136199957 0.104857012537 0.659480944382} H1 8 1
1 {} {0.217076499456 0.220209081224 0.473322956912} H2 9 1
1 {} {0.658421119892 0.267583535874 0.322309467558} H3 10 1
1 {} {0.70279787889 0.314657575286 0.560399526818} H4 11 1
1 {} {0.14123923305 0.536296265293 0.687220539516} H5 12 1
1 {} {0.367522433729 0.585096981606 0.766628169246} H6 13 1
1 {} {0.391469547512 0.807716500337 0.487452414149} H7 14 1
1 {} {0.477166379715 0.671857406406 0.30901398882} H8 15 1
1 {} {0.587700747577 0.69706467011 0.523888045941} H10 16 1
8 {} {0.338389125758 0.568749733249 0.513834913981} O 17 1
1 {} {0.330671154882 0.764023424655 0.509877358016} 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