./iterations/neb0_image09_iter129.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.471784557414 0.214797363139 0.494053352934} O1 1 1
14 {} {0.334921644219 0.216149013423 0.5846634111} Si1 2 1
14 {} {0.60381165967 0.299266936048 0.444443417027} Si2 3 1
8 {} {0.56278773938 0.452146196591 0.400353815968} O2 4 1
8 {} {0.326467375438 0.352496729774 0.677040413513} O3 5 1
14 {} {0.29756068204 0.514221428399 0.671120896904} Si3 6 1
14 {} {0.508396559789 0.598725245127 0.451701533302} Si4 7 1
1 {} {0.33839242267 0.100129261905 0.676968697494} H1 8 1
1 {} {0.21771285465 0.210973318115 0.492921554533} H2 9 1
1 {} {0.658931038902 0.230460204155 0.324963341341} H3 10 1
1 {} {0.702658172838 0.307284795973 0.556002826037} H4 11 1
1 {} {0.151615141894 0.538978044151 0.65719683873} H5 12 1
1 {} {0.352034793297 0.573479703376 0.796210575831} H6 13 1
1 {} {0.322317892998 0.886425967949 0.416430329034} H7 14 1
1 {} {0.475525064396 0.677336470742 0.330288399352} H8 15 1
1 {} {0.612548548689 0.66507835045 0.535718166761} H10 16 1
8 {} {0.371061258415 0.581788973537 0.540290657627} O 17 1
1 {} {0.301558733453 0.852779974079 0.480689717394} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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