./iterations/neb0_image08_iter22.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471057038157 0.219725554991 0.489503745672} O1 1 1
14 {} {0.334400181536 0.223054612627 0.581612056509} Si1 2 1
14 {} {0.602121779685 0.306327400049 0.441912755116} Si2 3 1
8 {} {0.554438928022 0.457626802304 0.398095098785} O2 4 1
8 {} {0.329564945772 0.359739305211 0.672835790828} O3 5 1
14 {} {0.294184629834 0.51895462998 0.674090352828} Si3 6 1
14 {} {0.504350938835 0.605763086698 0.445782941287} Si4 7 1
1 {} {0.337325422593 0.106929369077 0.675215192265} H1 8 1
1 {} {0.216488025391 0.218584270846 0.489086483678} H2 9 1
1 {} {0.662152381453 0.232477559107 0.326456756251} H3 10 1
1 {} {0.699756790811 0.315774699289 0.555087119536} H4 11 1
1 {} {0.144772631669 0.527505187694 0.677784545387} H5 12 1
1 {} {0.344267468456 0.56604262759 0.806620565171} H6 13 1
1 {} {0.330479265898 0.84404268033 0.414105476139} H7 14 1
1 {} {0.500761339051 0.677197936767 0.318657132389} H8 15 1
1 {} {0.602340559753 0.67089744265 0.533345377899} H10 16 1
8 {} {0.364737775535 0.590976327528 0.542550780279} O 17 1
1 {} {0.316886039885 0.830898474831 0.488315838366} 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
12 5 0 0
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
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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