iterations/neb0_image02_iter290.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.453312262918 0.268360123863 0.483357069304} O1 1 1
14 {} {0.325258090862 0.242334481038 0.58112202683} Si1 2 1
14 {} {0.585040499108 0.348471990966 0.427842239963} Si2 3 1
8 {} {0.540620157616 0.493189828076 0.365602500785} O2 4 1
8 {} {0.311405428483 0.35896209958 0.693947043024} O3 5 1
14 {} {0.240189289313 0.502942854835 0.734020043914} Si3 6 1
14 {} {0.565026573731 0.656055169555 0.357159202204} Si4 7 1
1 {} {0.347512865136 0.112766769074 0.650501105703} H1 8 1
1 {} {0.203275145732 0.238177476853 0.4953054799} H2 9 1
1 {} {0.64423620216 0.267547545947 0.31889148617} H3 10 1
1 {} {0.681336238067 0.371456725035 0.539264180998} H4 11 1
1 {} {0.095035124186 0.483240776143 0.756126559745} H5 12 1
1 {} {0.310811637759 0.551644343341 0.854941397859} H6 13 1
1 {} {0.437130229005 0.720308296638 0.317091061507} H7 14 1
1 {} {0.671799647517 0.688162983763 0.257596194276} H8 15 1
1 {} {0.605017470249 0.707518231911 0.492490936193} H10 16 1
8 {} {0.252190189443 0.612692821125 0.611216993609} O 17 1
1 {} {0.340889451084 0.648685764859 0.594582083513} 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