./iterations/neb0_image03_iter87.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.46741346567 0.234372456525 0.483243163841} O1 1 1
14 {} {0.32979539054 0.236879124958 0.573224437304} Si1 2 1
14 {} {0.588035071461 0.335150203015 0.433767556873} Si2 3 1
8 {} {0.526365168574 0.47892168551 0.387152902946} O2 4 1
8 {} {0.325761582946 0.367385214663 0.67266502419} O3 5 1
14 {} {0.271132742206 0.517296007126 0.710400917427} Si3 6 1
14 {} {0.532744138151 0.644299658173 0.384856135239} Si4 7 1
1 {} {0.328527895408 0.114796763307 0.658402964969} H1 8 1
1 {} {0.213465727078 0.239030619347 0.480055622888} H2 9 1
1 {} {0.65595477582 0.270368915011 0.317749791278} H3 10 1
1 {} {0.6826210905 0.353904934402 0.548277856912} H4 11 1
1 {} {0.122983732244 0.513904704878 0.722273994214} H5 12 1
1 {} {0.33571000973 0.558476964877 0.83752347266} H6 13 1
1 {} {0.396969904436 0.700085202909 0.363520519236} H7 14 1
1 {} {0.618031295299 0.686990529159 0.270174956891} H8 15 1
1 {} {0.593817531876 0.694915224211 0.511748812495} H10 16 1
8 {} {0.317632709335 0.614431946732 0.586220522527} O 17 1
1 {} {0.303123880663 0.711307799787 0.589799355724} 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