iterations/neb0_image08_iter7.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 {} {0.471124273063 0.220188960202 0.491947316834} O1 1 1
14 {} {0.33464790138 0.220484875889 0.582536872486} Si1 2 1
14 {} {0.603803678771 0.300881858531 0.443086056674} Si2 3 1
8 {} {0.563034765682 0.454142696836 0.392125681727} O2 4 1
8 {} {0.328275532803 0.356626769374 0.674349182957} O3 5 1
14 {} {0.289067774034 0.517391914339 0.680398037998} Si3 6 1
14 {} {0.501712648246 0.599999099116 0.445568684064} Si4 7 1
1 {} {0.339220684626 0.108826173235 0.678312935785} H1 8 1
1 {} {0.217488683532 0.215207440225 0.492252647083} H2 9 1
1 {} {0.66108101092 0.229650989014 0.326467049937} H3 10 1
1 {} {0.700973551571 0.312721106333 0.55515975136} H4 11 1
1 {} {0.138382991825 0.524500411423 0.676810815258} H5 12 1
1 {} {0.345246563619 0.565526978083 0.810863417059} H6 13 1
1 {} {0.327642110836 0.854965865617 0.41649609426} H7 14 1
1 {} {0.511272341118 0.682231631053 0.307492451918} H8 15 1
1 {} {0.602021786331 0.669760455322 0.529203310975} H10 16 1
8 {} {0.361206878283 0.600266843832 0.544110729429} O 17 1
1 {} {0.313882972162 0.839143891338 0.483876961548} 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
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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
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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