iterations/neb0_image06_iter125.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.470122627227 0.227440651913 0.489224251783} O1 1 1
14 {} {0.329530632907 0.224292854823 0.574007198682} Si1 2 1
14 {} {0.600659622518 0.31888502668 0.449020413075} Si2 3 1
8 {} {0.559731319248 0.474381949638 0.418995071162} O2 4 1
8 {} {0.321700577381 0.354480975195 0.675144133634} O3 5 1
14 {} {0.292190736234 0.515199431277 0.667746331028} Si3 6 1
14 {} {0.49361613852 0.619401078135 0.44551475769} Si4 7 1
1 {} {0.329517953235 0.101785122487 0.65781025269} H1 8 1
1 {} {0.2140233603 0.225271334948 0.478873414092} H2 9 1
1 {} {0.655348498844 0.263246542467 0.323024196931} H3 10 1
1 {} {0.699389268362 0.321251510356 0.560599797051} H4 11 1
1 {} {0.144718766183 0.536686551185 0.676866313368} H5 12 1
1 {} {0.362093726233 0.578897393452 0.782795216887} H6 13 1
1 {} {0.381175348816 0.802252103592 0.466745841453} H7 14 1
1 {} {0.486385097251 0.679493743725 0.307713244856} H8 15 1
1 {} {0.591163777665 0.698397885743 0.530041762853} H10 16 1
8 {} {0.349895805932 0.575512963867 0.524709381386} O 17 1
1 {} {0.328822831746 0.755640799109 0.502226406989} 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