./iterations/neb0_image01_iter83.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 {} {0.467796943444 0.241601701697 0.473171529889} O1 1 1
14 {} {0.32834043224 0.249135936152 0.559766160967} Si1 2 1
14 {} {0.598331450219 0.331686513579 0.430180071805} Si2 3 1
8 {} {0.551567519462 0.47540275192 0.367133854289} O2 4 1
8 {} {0.331405938056 0.379755530422 0.659162226667} O3 5 1
14 {} {0.263416897726 0.515471682165 0.72276302398} Si3 6 1
14 {} {0.53057402832 0.638359796062 0.373536265385} Si4 7 1
1 {} {0.319708884371 0.126044997238 0.642694757281} H1 8 1
1 {} {0.213355080131 0.2597039865 0.465744300433} H2 9 1
1 {} {0.671325663915 0.256603654284 0.324886415773} H3 10 1
1 {} {0.682386146011 0.356288163553 0.550779854491} H4 11 1
1 {} {0.119359105567 0.489128989821 0.746987731381} H5 12 1
1 {} {0.339601651603 0.546866485192 0.846681800227} H6 13 1
1 {} {0.388469257415 0.670322887523 0.344404127162} H7 14 1
1 {} {0.620181311588 0.703170425501 0.27363491498} H8 15 1
1 {} {0.56574309633 0.690365081221 0.509961096242} H10 16 1
8 {} {0.268486141729 0.644118360554 0.619858314559} O 17 1
1 {} {0.350036595966 0.698490992295 0.61971155225} 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