./iterations/neb0_image03_iter122.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 {} {0.466065571725 0.240380941493 0.48608441046} O1 1 1
14 {} {0.328728615158 0.235636609827 0.575511600177} Si1 2 1
14 {} {0.587158037511 0.338581174332 0.433938067772} Si2 3 1
8 {} {0.526542812483 0.482208228954 0.384578147746} O2 4 1
8 {} {0.321599510911 0.361736210188 0.680310124863} O3 5 1
14 {} {0.269717756114 0.513049037876 0.714817108712} Si3 6 1
14 {} {0.538928977092 0.6469958138 0.379778449626} Si4 7 1
1 {} {0.330685071292 0.109981103839 0.655235462584} H1 8 1
1 {} {0.210711275462 0.239509566176 0.484437656421} H2 9 1
1 {} {0.650279878688 0.270306078515 0.318140570175} H3 10 1
1 {} {0.683139911301 0.360909254104 0.545923645718} H4 11 1
1 {} {0.121063205389 0.515233709966 0.723050703651} H5 12 1
1 {} {0.331887663858 0.55386384271 0.843696955948} H6 13 1
1 {} {0.405465138175 0.710136974191 0.352766160065} H7 14 1
1 {} {0.630399052055 0.682261214577 0.266745766277} H8 15 1
1 {} {0.59505686835 0.700707930668 0.507338820601} H10 16 1
8 {} {0.321143414893 0.609214916968 0.590399192445} O 17 1
1 {} {0.291513375824 0.701805387061 0.588305098669} 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