./iterations/neb0_image07_iter281.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 {} {0.481050003279 0.205030518285 0.502963011996} O1 1 1
14 {} {0.339179625877 0.210078614126 0.586478509968} Si1 2 1
14 {} {0.611549931182 0.292554045057 0.455273063647} Si2 3 1
8 {} {0.574047636393 0.45003516199 0.432368061509} O2 4 1
8 {} {0.315615831485 0.355973506608 0.657925582514} O3 5 1
14 {} {0.289277666609 0.517852639242 0.64708461441} Si3 6 1
14 {} {0.496509340232 0.594529153436 0.432008227795} Si4 7 1
1 {} {0.341706351596 0.110355348681 0.695855425926} H1 8 1
1 {} {0.231194017607 0.184186392429 0.487775961085} H2 9 1
1 {} {0.66164598614 0.241049190444 0.325620650197} H3 10 1
1 {} {0.713942816561 0.282470879118 0.562254048237} H4 11 1
1 {} {0.142646083343 0.541557558203 0.650580528853} H5 12 1
1 {} {0.358100799815 0.58444930031 0.760663786545} H6 13 1
1 {} {0.339111448148 0.917161019686 0.489771568418} H7 14 1
1 {} {0.471340790558 0.635766124893 0.291125798183} H8 15 1
1 {} {0.584328947203 0.692755186579 0.501247777554} H10 16 1
8 {} {0.350913227503 0.580780049811 0.507623070833} O 17 1
1 {} {0.30792526562 0.875933193662 0.544438010412} 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