iterations/neb0_image09_iter63.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 {} {0.472398564292 0.212324138484 0.494445710017} O1 1 1
14 {} {0.336213481378 0.216203116598 0.586438344641} Si1 2 1
14 {} {0.603029542666 0.298837130989 0.445070589414} Si2 3 1
8 {} {0.559988481093 0.451601626913 0.402247952635} O2 4 1
8 {} {0.329210958314 0.355215831163 0.67454888896} O3 5 1
14 {} {0.29656264114 0.516336199323 0.669301289105} Si3 6 1
14 {} {0.506601837475 0.599038314054 0.451154283105} Si4 7 1
1 {} {0.340292747509 0.102601842469 0.68189295976} H1 8 1
1 {} {0.218118137405 0.208964347341 0.496076838973} H2 9 1
1 {} {0.658683265552 0.232018297903 0.324823188517} H3 10 1
1 {} {0.701990723945 0.307013722555 0.556344512113} H4 11 1
1 {} {0.15020979067 0.538387673044 0.655396642915} H5 12 1
1 {} {0.351215928306 0.576894974418 0.793644620583} H6 13 1
1 {} {0.323698702948 0.877983069516 0.412851827036} H7 14 1
1 {} {0.476193438832 0.677953721555 0.329404917897} H8 15 1
1 {} {0.610533024835 0.663753147846 0.536190149181} H10 16 1
8 {} {0.367893879006 0.585366012818 0.53875633792} O 17 1
1 {} {0.307251022445 0.852024777121 0.482468931734} 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
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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