./iterations/neb0_image01_iter285.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 {} {0.461049259121 0.26001936808 0.480677576381} O1 1 1
14 {} {0.32706047911 0.246938923212 0.574428970288} Si1 2 1
14 {} {0.593238778353 0.339862200269 0.427114854459} Si2 3 1
8 {} {0.551031064497 0.479513109027 0.351694383282} O2 4 1
8 {} {0.322715655261 0.366625443845 0.687836488818} O3 5 1
14 {} {0.254269402596 0.510165129619 0.730297990042} Si3 6 1
14 {} {0.541077022808 0.643564659832 0.358932252544} Si4 7 1
1 {} {0.334465210596 0.11612054221 0.644891285588} H1 8 1
1 {} {0.207063270991 0.255730060595 0.486474218228} H2 9 1
1 {} {0.660231760219 0.25267425096 0.327236532259} H3 10 1
1 {} {0.682367069527 0.372107699808 0.542350449851} H4 11 1
1 {} {0.107032690904 0.492751957243 0.742235389711} H5 12 1
1 {} {0.318836005364 0.551078697135 0.858054310841} H6 13 1
1 {} {0.410312148591 0.685773159633 0.302079997521} H7 14 1
1 {} {0.65332593707 0.704408979103 0.281674559021} H8 15 1
1 {} {0.55052371114 0.690116738534 0.501419367912} H10 16 1
8 {} {0.276389598372 0.627099127482 0.615358205569} O 17 1
1 {} {0.359096857364 0.677967548443 0.618301052814} 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