./iterations/neb0_image06_iter186.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.47613026153 0.224208973267 0.486348015616} O1 1 1
14 {} {0.3317756437 0.219182443357 0.565649813734} Si1 2 1
14 {} {0.607225290565 0.316995933112 0.455290290935} Si2 3 1
8 {} {0.570134213043 0.474943012868 0.455387228291} O2 4 1
8 {} {0.305659670559 0.354081286462 0.655178087448} O3 5 1
14 {} {0.286236942076 0.517016353872 0.656249742023} Si3 6 1
14 {} {0.484345463957 0.612579798101 0.445995797203} Si4 7 1
1 {} {0.337882620046 0.105907792941 0.660931710823} H1 8 1
1 {} {0.223589629424 0.204296392459 0.464335763935} H2 9 1
1 {} {0.659873456686 0.283280978308 0.320965554537} H3 10 1
1 {} {0.709190019234 0.294433031989 0.560438056444} H4 11 1
1 {} {0.145246308353 0.545594735551 0.694103375219} H5 12 1
1 {} {0.377108456656 0.581303935613 0.755051090665} H6 13 1
1 {} {0.391453967016 0.814817814358 0.523581794378} H7 14 1
1 {} {0.469311727499 0.658493795938 0.305843969732} H8 15 1
1 {} {0.581264822089 0.705615310302 0.512912749647} H10 16 1
8 {} {0.329371821983 0.576562155724 0.507325900291} O 17 1
1 {} {0.324285622704 0.783204094932 0.505469126946} 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