./iterations/neb0_image06_iter215.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 {} {0.475104222648 0.226904259028 0.486307106587} O1 1 1
14 {} {0.33096472345 0.216545309501 0.565770770552} Si1 2 1
14 {} {0.608473891071 0.319385495937 0.459457464941} Si2 3 1
8 {} {0.5734045819 0.477798718926 0.474209022245} O2 4 1
8 {} {0.298814223414 0.352410485435 0.651823921489} O3 5 1
14 {} {0.285471086147 0.515859921106 0.652206560476} Si3 6 1
14 {} {0.48802822553 0.613787410281 0.447775129367} Si4 7 1
1 {} {0.334365118915 0.103391066454 0.66367877544} H1 8 1
1 {} {0.224187593313 0.197386867114 0.463176879941} H2 9 1
1 {} {0.652410691375 0.294971376332 0.319806465732} H3 10 1
1 {} {0.713021024798 0.293711356583 0.562403862976} H4 11 1
1 {} {0.145775043315 0.547261953717 0.694136600895} H5 12 1
1 {} {0.382522350922 0.576815479381 0.745565447481} H6 13 1
1 {} {0.388469607021 0.809892209462 0.529670640024} H7 14 1
1 {} {0.468872189409 0.653885797731 0.306089055195} H8 15 1
1 {} {0.587893388186 0.71414517464 0.501103747615} H10 16 1
8 {} {0.330587011059 0.575978101079 0.504418867271} O 17 1
1 {} {0.32172096287 0.782386923375 0.50345779412} 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