./iterations/neb0_image08_iter162.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.470864939769 0.228486688736 0.492905839104} O1 1 1
14 {} {0.330164013159 0.220272114257 0.576858965336} Si1 2 1
14 {} {0.611523694019 0.301090878722 0.449795796515} Si2 3 1
8 {} {0.5863873922 0.45882994989 0.410027116508} O2 4 1
8 {} {0.316137171505 0.34812452125 0.680132843622} O3 5 1
14 {} {0.301000598523 0.512013347038 0.673363130484} Si3 6 1
14 {} {0.511316169091 0.599995232592 0.450554107711} Si4 7 1
1 {} {0.329547687996 0.0961158421517 0.658127922457} H1 8 1
1 {} {0.218249273744 0.222948571161 0.478654218889} H2 9 1
1 {} {0.662825816216 0.230430521569 0.329504840206} H3 10 1
1 {} {0.707713605425 0.292184758693 0.563892769656} H4 11 1
1 {} {0.157119783077 0.54856081605 0.660031735472} H5 12 1
1 {} {0.364048423123 0.56834268621 0.796375433956} H6 13 1
1 {} {0.318694254782 0.891125145333 0.462323488176} H7 14 1
1 {} {0.466110418393 0.669107152841 0.326590623487} H8 15 1
1 {} {0.607312812345 0.68296612392 0.52939742706} H10 16 1
8 {} {0.377188272719 0.570464309517 0.539298350886} O 17 1
1 {} {0.273881921858 0.831459217793 0.453223192576} 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
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 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 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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