./iterations/neb0_image09_iter76.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 {} {0.472252475941 0.213169479185 0.494916384285} O1 1 1
14 {} {0.336172944094 0.216269970545 0.58639409332} Si1 2 1
14 {} {0.603158496873 0.299326536972 0.444927449862} Si2 3 1
8 {} {0.559719772957 0.451556685364 0.401919869689} O2 4 1
8 {} {0.328651826172 0.355117050799 0.675150939848} O3 5 1
14 {} {0.296866084526 0.516098732169 0.669111710848} Si3 6 1
14 {} {0.507043298761 0.599364245923 0.450754868219} Si4 7 1
1 {} {0.339907020838 0.102287051333 0.681251082015} H1 8 1
1 {} {0.218449645805 0.209167202591 0.495723901854} H2 9 1
1 {} {0.658970888381 0.232349851038 0.324874466833} H3 10 1
1 {} {0.701735453156 0.306020303894 0.556589589983} H4 11 1
1 {} {0.150353185093 0.538128154292 0.655670634597} H5 12 1
1 {} {0.351311656962 0.57635411831 0.793936549538} H6 13 1
1 {} {0.323519487861 0.878247469844 0.413608736347} H7 14 1
1 {} {0.475716478634 0.678521758187 0.329784868351} H8 15 1
1 {} {0.611128648453 0.663634700539 0.535918350115} H10 16 1
8 {} {0.368063330925 0.584823610353 0.538546374028} O 17 1
1 {} {0.307065470169 0.852081016852 0.48197810617} 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