./iterations/neb0_image01_iter238.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 {} {0.462968941389 0.258380663669 0.478882758646} O1 1 1
14 {} {0.327138590443 0.250071135893 0.570280951334} Si1 2 1
14 {} {0.596433967986 0.33795943359 0.426080230578} Si2 3 1
8 {} {0.555728168727 0.477498156881 0.349676924524} O2 4 1
8 {} {0.322407469991 0.371798999203 0.680039674678} O3 5 1
14 {} {0.254019543384 0.512261334813 0.733504288878} Si3 6 1
14 {} {0.5399281321 0.641041084467 0.359393105413} Si4 7 1
1 {} {0.33052614111 0.120985908616 0.64445739775} H1 8 1
1 {} {0.209130314986 0.259268105166 0.479400885415} H2 9 1
1 {} {0.664451171857 0.250528195589 0.327184076502} H3 10 1
1 {} {0.683414126481 0.370386024269 0.542900613131} H4 11 1
1 {} {0.107280772718 0.493983886567 0.749127084286} H5 12 1
1 {} {0.322556761957 0.544237574488 0.861809959083} H6 13 1
1 {} {0.405303069397 0.679858250397 0.309172741203} H7 14 1
1 {} {0.646799000885 0.706881560291 0.278805396537} H8 15 1
1 {} {0.553363490764 0.685886099411 0.502206184099} H10 16 1
8 {} {0.270342951158 0.635892379736 0.625095239459} O 17 1
1 {} {0.358293287804 0.675598969839 0.613040369405} 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