iterations/neb0_image07_iter19.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.46978429899 0.224041937737 0.485340969848} O1 1 1
14 {} {0.332450042524 0.228078976088 0.576853627551} Si1 2 1
14 {} {0.602681106954 0.310231115463 0.439875268955} Si2 3 1
8 {} {0.554862135501 0.462374499255 0.391313362207} O2 4 1
8 {} {0.33068105659 0.360898415477 0.672112243561} O3 5 1
14 {} {0.291000806183 0.521112069265 0.680247372741} Si3 6 1
14 {} {0.496469290126 0.61087239512 0.442331088623} Si4 7 1
1 {} {0.333281871096 0.109493594004 0.667630027587} H1 8 1
1 {} {0.215302216207 0.227761938658 0.482369284454} H2 9 1
1 {} {0.665439265928 0.235266802205 0.326470621755} H3 10 1
1 {} {0.697344075023 0.32313943033 0.555580697979} H4 11 1
1 {} {0.135979873082 0.518649493658 0.695017667254} H5 12 1
1 {} {0.342849151322 0.55849284725 0.820706898254} H6 13 1
1 {} {0.337557557461 0.81479453049 0.418856628783} H7 14 1
1 {} {0.52140923294 0.683092447743 0.305592788723} H8 15 1
1 {} {0.596232876649 0.676710889133 0.53223531137} H10 16 1
8 {} {0.360315804081 0.603242907569 0.548690651542} O 17 1
1 {} {0.326445484991 0.804263669186 0.489833492739} 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