./iterations/neb0_image09_iter90.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472196760248 0.213461700398 0.494920281195} O1 1 1
14 {} {0.335713819419 0.216266481852 0.586223593581} Si1 2 1
14 {} {0.603120635307 0.299504850911 0.444943672286} Si2 3 1
8 {} {0.560645827596 0.452046292786 0.400958802786} O2 4 1
8 {} {0.328191394494 0.35440245909 0.676187051231} O3 5 1
14 {} {0.296740195199 0.515691827923 0.669619431826} Si3 6 1
14 {} {0.50703059167 0.599314565614 0.450810435116} Si4 7 1
1 {} {0.339649880491 0.101822383181 0.680718897762} H1 8 1
1 {} {0.218219984685 0.209553097397 0.494748123318} H2 9 1
1 {} {0.659135203117 0.23256833852 0.325023786536} H3 10 1
1 {} {0.701894051992 0.305683834707 0.556579852445} H4 11 1
1 {} {0.150266899486 0.538078086154 0.656235617493} H5 12 1
1 {} {0.351373232033 0.575680078654 0.794285797546} H6 13 1
1 {} {0.323328529189 0.87935529569 0.414092904151} H7 14 1
1 {} {0.476046168632 0.678965394296 0.32968283593} H8 15 1
1 {} {0.611756045 0.663641359516 0.535289362979} H10 16 1
8 {} {0.368383665007 0.584392736836 0.538890771693} O 17 1
1 {} {0.306393287813 0.852089168751 0.481846749182} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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