./iterations/neb0_image07_iter140.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.470122496636 0.23300129428 0.492875110411} O1 1 1
14 {} {0.330412039834 0.222183256027 0.578206505243} Si1 2 1
14 {} {0.610083892064 0.308054359101 0.449245030693} Si2 3 1
8 {} {0.588414654407 0.467972036557 0.415317801152} O2 4 1
8 {} {0.316332146618 0.351798668955 0.679172782226} O3 5 1
14 {} {0.295449398944 0.514211136936 0.662585152133} Si3 6 1
14 {} {0.500491696659 0.603648485646 0.446708211789} Si4 7 1
1 {} {0.333490094253 0.0986717084861 0.659887273618} H1 8 1
1 {} {0.21602118298 0.218408803521 0.482284658491} H2 9 1
1 {} {0.659904713782 0.235936047439 0.328849329974} H3 10 1
1 {} {0.70767875372 0.299101248372 0.561756475174} H4 11 1
1 {} {0.150570134869 0.545005349361 0.658665201508} H5 12 1
1 {} {0.365914903481 0.582425169199 0.774289332506} H6 13 1
1 {} {0.348462133783 0.858389648361 0.462501992441} H7 14 1
1 {} {0.455217662321 0.671321330477 0.321744271963} H8 15 1
1 {} {0.583874500417 0.693128292363 0.530812372817} H10 16 1
8 {} {0.360209775269 0.5638390041 0.520655149092} O 17 1
1 {} {0.31743586968 0.805422020153 0.505501249464} 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