./iterations/neb0_image04_iter20.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.469840999647 0.227469507796 0.481830572997} O1 1 1
14 {} {0.331617496894 0.236653826376 0.572522744806} Si1 2 1
14 {} {0.599764263271 0.320390846449 0.436749998733} Si2 3 1
8 {} {0.547204195523 0.472639003828 0.38631972981} O2 4 1
8 {} {0.331333833406 0.374723403646 0.663688515737} O3 5 1
14 {} {0.279101628072 0.527628024159 0.69640808499} Si3 6 1
14 {} {0.509323999539 0.641504841064 0.400807285597} Si4 7 1
1 {} {0.329255911002 0.114484994799 0.661228597163} H1 8 1
1 {} {0.214396918173 0.236009064327 0.477443231023} H2 9 1
1 {} {0.666969030816 0.239944753641 0.327575753632} H3 10 1
1 {} {0.693873103727 0.329986832768 0.554703391324} H4 11 1
1 {} {0.128784667082 0.511015669727 0.709707003903} H5 12 1
1 {} {0.34255057427 0.552974958304 0.832115293928} H6 13 1
1 {} {0.374552709341 0.754598988576 0.384499479645} H7 14 1
1 {} {0.567104975362 0.69132538435 0.276853598686} H8 15 1
1 {} {0.583409229021 0.678077378284 0.526747813422} H10 16 1
8 {} {0.323514338073 0.633065989161 0.583817386519} O 17 1
1 {} {0.317488261445 0.730024497634 0.558039524364} 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