./iterations/neb0_image01_iter186.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.464745439409 0.254720506742 0.477070337132} O1 1 1
14 {} {0.327262555064 0.251151890817 0.566727414127} Si1 2 1
14 {} {0.5978033953 0.336105603853 0.426956012228} Si2 3 1
8 {} {0.556626001806 0.476706902361 0.352583355729} O2 4 1
8 {} {0.32510016076 0.376467069594 0.672903934065} O3 5 1
14 {} {0.255982279282 0.513142994213 0.732952984324} Si3 6 1
14 {} {0.537706692739 0.640061615355 0.362346164283} Si4 7 1
1 {} {0.326938507106 0.124226084486 0.644171002144} H1 8 1
1 {} {0.210372409231 0.259519711765 0.474526432677} H2 9 1
1 {} {0.666772555777 0.250186503358 0.327354241559} H3 10 1
1 {} {0.684175513864 0.367082094627 0.544688568684} H4 11 1
1 {} {0.109601328831 0.494139028588 0.750992131641} H5 12 1
1 {} {0.326428193683 0.540800701632 0.861304827841} H6 13 1
1 {} {0.40048892896 0.677443291289 0.318400391968} H7 14 1
1 {} {0.639075258514 0.707293453368 0.276278176298} H8 15 1
1 {} {0.55690074326 0.685213389104 0.504382246884} H10 16 1
8 {} {0.268234611004 0.640413793829 0.628113860445} O 17 1
1 {} {0.355871351319 0.677843208948 0.609305816887} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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