./iterations/neb0_image03_iter135.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.464774373267 0.244793074722 0.487905105183} O1 1 1
14 {} {0.32759050877 0.235091153808 0.577495068073} Si1 2 1
14 {} {0.585554608483 0.341860811947 0.4326627846} Si2 3 1
8 {} {0.526190800618 0.485235406712 0.3831102382} O2 4 1
8 {} {0.318061189191 0.35724707863 0.686621003285} O3 5 1
14 {} {0.268350466194 0.51051426523 0.717585507288} Si3 6 1
14 {} {0.542876525368 0.649327767261 0.376854275429} Si4 7 1
1 {} {0.332158443954 0.107553740055 0.653493221773} H1 8 1
1 {} {0.209692922533 0.23972819923 0.486869440465} H2 9 1
1 {} {0.648244793794 0.270767688593 0.317549018915} H3 10 1
1 {} {0.68245545928 0.36578233595 0.543582970156} H4 11 1
1 {} {0.119250692895 0.516154924997 0.723790501368} H5 12 1
1 {} {0.3290882478 0.550488694362 0.847517549674} H6 13 1
1 {} {0.411827209809 0.711664606658 0.346431922448} H7 14 1
1 {} {0.638099474851 0.680517147321 0.266541102882} H8 15 1
1 {} {0.59906739885 0.704033657029 0.503477817854} H10 16 1
8 {} {0.323568994611 0.606795162939 0.594618215635} O 17 1
1 {} {0.283234041681 0.694962292838 0.584952159537} 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