./iterations/neb0_image09_iter97.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 {} {0.47216482512 0.213679877442 0.494746028007} O1 1 1
14 {} {0.335458796262 0.21631330099 0.58622982407} Si1 2 1
14 {} {0.603116452824 0.299375038564 0.444943402339} Si2 3 1
8 {} {0.561119146279 0.452244413631 0.40083159526} O2 4 1
8 {} {0.328026798638 0.353867454513 0.676148931467} O3 5 1
14 {} {0.296474126642 0.515357381777 0.670195927692} Si3 6 1
14 {} {0.506901799598 0.599147297441 0.450825285746} Si4 7 1
1 {} {0.339568866598 0.101757067143 0.680486302358} H1 8 1
1 {} {0.218186282322 0.209765390891 0.494541967936} H2 9 1
1 {} {0.659096074177 0.23240631961 0.325055870429} H3 10 1
1 {} {0.701993378979 0.305979975865 0.556425284056} H4 11 1
1 {} {0.150200723573 0.538062071909 0.656534492049} H5 12 1
1 {} {0.351349944094 0.575472922223 0.794563648351} H6 13 1
1 {} {0.323277644852 0.88021097667 0.414004387014} H7 14 1
1 {} {0.476556413778 0.678843064853 0.329572612167} H8 15 1
1 {} {0.611740877372 0.663690426946 0.53501481992} H10 16 1
8 {} {0.368951252495 0.58425068401 0.538903046504} O 17 1
1 {} {0.305902768858 0.852094297285 0.482034536497} 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