iterations/neb0_image02_iter268.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.456694618428 0.266629841226 0.488455861481} O1 1 1
14 {} {0.326194518807 0.24055118994 0.583940203308} Si1 2 1
14 {} {0.583712869485 0.349755378867 0.427656170582} Si2 3 1
8 {} {0.533715661942 0.493212928495 0.365555926608} O2 4 1
8 {} {0.310913482318 0.356438064707 0.699129540521} O3 5 1
14 {} {0.242381665376 0.502780107231 0.732898935238} Si3 6 1
14 {} {0.563438852535 0.655173252405 0.356554593261} Si4 7 1
1 {} {0.345945628863 0.110427350921 0.652761623431} H1 8 1
1 {} {0.204945046993 0.238712318821 0.497425254448} H2 9 1
1 {} {0.642174261482 0.268170275088 0.318090343087} H3 10 1
1 {} {0.682076035657 0.375940181789 0.536927090485} H4 11 1
1 {} {0.0961055673851 0.485043744893 0.750826350053} H5 12 1
1 {} {0.311081157126 0.553649164347 0.855026655659} H6 13 1
1 {} {0.437660966552 0.720834148417 0.312203486895} H7 14 1
1 {} {0.673757046876 0.682745706902 0.260537611126} H8 15 1
1 {} {0.602670484653 0.70829500728 0.490967959196} H10 16 1
8 {} {0.255501040693 0.609375771266 0.60801681112} O 17 1
1 {} {0.341117466467 0.654783747422 0.594083398229} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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