iterations/neb0_image09_iter20.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 {} {0.471968422052 0.215189221805 0.495117833913} O1 1 1
14 {} {0.336019472178 0.217451558254 0.588047236019} Si1 2 1
14 {} {0.60361278158 0.298912665148 0.444146907843} Si2 3 1
8 {} {0.55985086952 0.451150376063 0.400056110382} O2 4 1
8 {} {0.327584077676 0.356404296985 0.674940819252} O3 5 1
14 {} {0.29468298434 0.517173292122 0.669763793244} Si3 6 1
14 {} {0.507415219304 0.599309920002 0.446939663313} Si4 7 1
1 {} {0.342773239227 0.104908044719 0.685142522099} H1 8 1
1 {} {0.217770918498 0.20691741046 0.497189663485} H2 9 1
1 {} {0.658522250575 0.226971110861 0.326060061402} H3 10 1
1 {} {0.703336125224 0.306397861377 0.555049032992} H4 11 1
1 {} {0.146343387841 0.532604511048 0.6625683781} H5 12 1
1 {} {0.345784150431 0.572167722424 0.798883177165} H6 13 1
1 {} {0.322447820014 0.88453624527 0.411742099016} H7 14 1
1 {} {0.491111028115 0.674228858705 0.321933952511} H8 15 1
1 {} {0.608329496569 0.664936155486 0.533065907885} H10 16 1
8 {} {0.366986264387 0.586959794306 0.538721833491} O 17 1
1 {} {0.305547647685 0.856298909839 0.4816890066} 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