./iterations/neb0_image04_iter236.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.46516547604 0.259775478839 0.490192768593} O1 1 1
14 {} {0.325050481754 0.229581158535 0.569421379968} Si1 2 1
14 {} {0.595554738914 0.348127551325 0.446688322996} Si2 3 1
8 {} {0.55236437469 0.503790349239 0.423932899549} O2 4 1
8 {} {0.288557997534 0.347630524355 0.676687186599} O3 5 1
14 {} {0.246002304889 0.503827338695 0.702709770395} Si3 6 1
14 {} {0.574767223735 0.664715280614 0.399780682203} Si4 7 1
1 {} {0.342680768133 0.103670238978 0.646500630396} H1 8 1
1 {} {0.217240667429 0.215181461525 0.467868398824} H2 9 1
1 {} {0.647393574304 0.290216676196 0.320353415233} H3 10 1
1 {} {0.698875989724 0.342771441053 0.553292830704} H4 11 1
1 {} {0.106211062515 0.51340779029 0.75325699242} H5 12 1
1 {} {0.344621187952 0.558800412843 0.799886384993} H6 13 1
1 {} {0.447163022191 0.736942233682 0.430767472564} H7 14 1
1 {} {0.614244671087 0.691089237252 0.258011499259} H8 15 1
1 {} {0.685047171487 0.715467483952 0.487943129603} H10 16 1
8 {} {0.254039121724 0.58223982849 0.557159512586} O 17 1
1 {} {0.205106145714 0.665283353688 0.546604921983} 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