./iterations/neb0_image06_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_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 {} {0.475151533934 0.227105240459 0.486032420848} O1 1 1
14 {} {0.330821126359 0.217193974397 0.565378310598} Si1 2 1
14 {} {0.607939704561 0.319002849571 0.458786850898} Si2 3 1
8 {} {0.57320870059 0.477474060851 0.471784545889} O2 4 1
8 {} {0.299458219657 0.353050288823 0.652097954255} O3 5 1
14 {} {0.285222060387 0.516295414576 0.652926764863} Si3 6 1
14 {} {0.487433117095 0.613607805463 0.447602416991} Si4 7 1
1 {} {0.335047175975 0.105101819167 0.663035143451} H1 8 1
1 {} {0.224367646713 0.198210666275 0.463027579581} H2 9 1
1 {} {0.653944151636 0.293158544579 0.32001739154} H3 10 1
1 {} {0.712461824375 0.294181202444 0.561717032505} H4 11 1
1 {} {0.145194853347 0.546084668785 0.69602726546} H5 12 1
1 {} {0.381174250628 0.5772594162 0.747475210643} H6 13 1
1 {} {0.388970074468 0.80968121682 0.527544533215} H7 14 1
1 {} {0.469416047662 0.65423025206 0.306225252853} H8 15 1
1 {} {0.587495752018 0.712459239546 0.502794688445} H10 16 1
8 {} {0.330237601762 0.576623182014 0.505010255281} O 17 1
1 {} {0.322542097973 0.781798055921 0.503574487736} 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