iterations/neb0_image02_iter140.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 {} {0.466683062898 0.244049827342 0.485054650985} O1 1 1
14 {} {0.329086900429 0.240957011584 0.574578712222} Si1 2 1
14 {} {0.589998323805 0.337830136111 0.43047688601} Si2 3 1
8 {} {0.532875140255 0.480477544349 0.372927410278} O2 4 1
8 {} {0.324647421571 0.368205531658 0.678678554086} O3 5 1
14 {} {0.257109485417 0.512863769843 0.720212581784} Si3 6 1
14 {} {0.541928482496 0.644911412144 0.370091909014} Si4 7 1
1 {} {0.331357433569 0.115591179703 0.655025960949} H1 8 1
1 {} {0.211196310938 0.245516224601 0.483415134313} H2 9 1
1 {} {0.655953436942 0.263598212318 0.319494613585} H3 10 1
1 {} {0.683924277846 0.366032276577 0.543014017737} H4 11 1
1 {} {0.110635104915 0.493539623623 0.740523741801} H5 12 1
1 {} {0.327861712619 0.556606960449 0.843757070271} H6 13 1
1 {} {0.407522966691 0.697960459234 0.336802347795} H7 14 1
1 {} {0.64183716667 0.687832550473 0.267383542733} H8 15 1
1 {} {0.584384137829 0.698250749604 0.503625205754} H10 16 1
8 {} {0.272307530852 0.624723270028 0.600629578106} O 17 1
1 {} {0.3407772023 0.693571228633 0.605366159918} 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