iterations/neb0_image05_iter187.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 {} {0.473206956478 0.239089589835 0.487070186219} O1 1 1
14 {} {0.328178676342 0.225811781232 0.564176453385} Si1 2 1
14 {} {0.598947978645 0.342195136066 0.46555150825} Si2 3 1
8 {} {0.548363685966 0.496960257807 0.491798795034} O2 4 1
8 {} {0.288238790298 0.363113189508 0.643647060843} O3 5 1
14 {} {0.250800800887 0.521690580592 0.664636682439} Si3 6 1
14 {} {0.557480160314 0.652705121832 0.438430582247} Si4 7 1
1 {} {0.339315575064 0.11449795689 0.663730368425} H1 8 1
1 {} {0.224474669716 0.199421595165 0.459696200899} H2 9 1
1 {} {0.645384922565 0.332260087828 0.323711206896} H3 10 1
1 {} {0.707073090893 0.312815448592 0.5644042305} H4 11 1
1 {} {0.134173093488 0.52308520555 0.756363062054} H5 12 1
1 {} {0.368748792153 0.595217582162 0.7183184625} H6 13 1
1 {} {0.463402323179 0.725079428251 0.528647694296} H7 14 1
1 {} {0.516690317118 0.667846182854 0.296387708107} H8 15 1
1 {} {0.697248024023 0.704787051867 0.451610314524} H10 16 1
8 {} {0.205300548185 0.591558861811 0.52120319798} O 17 1
1 {} {0.263057605591 0.664382897812 0.491674426091} 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