./iterations/neb0_image01_iter157.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.464897257087 0.252105140566 0.476787991921} O1 1 1
14 {} {0.327439679063 0.251084299525 0.565770354463} Si1 2 1
14 {} {0.597595074165 0.335675357011 0.427315125741} Si2 3 1
8 {} {0.556036357627 0.476159252102 0.354583227425} O2 4 1
8 {} {0.325472970768 0.377446053611 0.66972555996} O3 5 1
14 {} {0.256957586228 0.514310766831 0.731427517733} Si3 6 1
14 {} {0.537435040201 0.6395339585 0.364232715061} Si4 7 1
1 {} {0.325456531857 0.124788354223 0.643765767301} H1 8 1
1 {} {0.21137217925 0.259922811122 0.473390041302} H2 9 1
1 {} {0.667467684517 0.252115820439 0.326998294626} H3 10 1
1 {} {0.683841023723 0.366094048324 0.544714584865} H4 11 1
1 {} {0.111382649373 0.493135266909 0.75045815814} H5 12 1
1 {} {0.328895557431 0.540111210848 0.859123772421} H6 13 1
1 {} {0.398469892275 0.673961091989 0.324149613779} H7 14 1
1 {} {0.636359368111 0.707153466126 0.275889152008} H8 15 1
1 {} {0.558865104401 0.686591961629 0.505153551692} H10 16 1
8 {} {0.267233944752 0.642790727461 0.628715323383} O 17 1
1 {} {0.354908070094 0.679538282193 0.608857172483} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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