./iterations/neb0_image03_iter100.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.466931291803 0.236320610753 0.484591404661} O1 1 1
14 {} {0.329302248629 0.236106330934 0.573873850658} Si1 2 1
14 {} {0.587475913571 0.336291839158 0.434486414414} Si2 3 1
8 {} {0.526478398345 0.47989428302 0.38593057342} O2 4 1
8 {} {0.325553147918 0.365275909895 0.675239910295} O3 5 1
14 {} {0.270456115132 0.515163567645 0.711923729124} Si3 6 1
14 {} {0.53509158539 0.64491847822 0.382725745886} Si4 7 1
1 {} {0.329389163272 0.112961955416 0.657250927633} H1 8 1
1 {} {0.212542149787 0.23902677262 0.481145113643} H2 9 1
1 {} {0.653464411378 0.271317665062 0.318748684977} H3 10 1
1 {} {0.682990142447 0.355579992865 0.547221152098} H4 11 1
1 {} {0.121317678205 0.514535554654 0.72292779775} H5 12 1
1 {} {0.334807133182 0.557243091771 0.839671885613} H6 13 1
1 {} {0.400487556917 0.704452527983 0.359457311546} H7 14 1
1 {} {0.622365535079 0.685244046182 0.268676782069} H8 15 1
1 {} {0.593180875905 0.696770255193 0.509842367321} H10 16 1
8 {} {0.318604592055 0.612696679824 0.58778388486} O 17 1
1 {} {0.299648182363 0.708718401951 0.589560452436} 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