./iterations/neb0_image05_iter74.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.46852879993 0.223112040214 0.485950927113} O1 1 1
14 {} {0.331506356009 0.225796016815 0.57444056906} Si1 2 1
14 {} {0.589449522042 0.328907177311 0.443313067041} Si2 3 1
8 {} {0.527736554337 0.477009824015 0.417246405867} O2 4 1
8 {} {0.328580369482 0.35824323966 0.674111704616} O3 5 1
14 {} {0.289129713356 0.516511098771 0.683833817361} Si3 6 1
14 {} {0.503556699747 0.64408095469 0.42884298217} Si4 7 1
1 {} {0.32771465081 0.107432275577 0.662664362683} H1 8 1
1 {} {0.215591285599 0.232825825008 0.482953302871} H2 9 1
1 {} {0.653211986209 0.276538380179 0.318706403735} H3 10 1
1 {} {0.686757203974 0.338648374727 0.556002718561} H4 11 1
1 {} {0.142171392054 0.539806895463 0.677964750409} H5 12 1
1 {} {0.350841541568 0.572059990726 0.807819711429} H6 13 1
1 {} {0.393138324541 0.766905638084 0.431145135312} H7 14 1
1 {} {0.533535446426 0.677222628985 0.286865611685} H8 15 1
1 {} {0.599178030756 0.696262576047 0.532408849009} H10 16 1
8 {} {0.346187155935 0.598767019585 0.549326251044} O 17 1
1 {} {0.323271069717 0.692387990311 0.517461414774} 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