./iterations/neb0_image01_iter168.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.464818963618 0.253447217573 0.476795053647} O1 1 1
14 {} {0.327460166662 0.251292710542 0.566182360863} Si1 2 1
14 {} {0.597965364564 0.33578772904 0.42718661978} Si2 3 1
8 {} {0.556496935916 0.476450974235 0.353593225399} O2 4 1
8 {} {0.325297037893 0.376895096895 0.670818609042} O3 5 1
14 {} {0.256590454817 0.51381342914 0.732466567054} Si3 6 1
14 {} {0.537428040321 0.639701900215 0.363233295925} Si4 7 1
1 {} {0.32604112923 0.124502986701 0.64404687494} H1 8 1
1 {} {0.210772205173 0.259772993043 0.473722508423} H2 9 1
1 {} {0.667156191134 0.251053377722 0.327202700218} H3 10 1
1 {} {0.684171575981 0.366495815433 0.544875970257} H4 11 1
1 {} {0.110811094866 0.493705385386 0.750633948024} H5 12 1
1 {} {0.32770293016 0.540436217574 0.860485855504} H6 13 1
1 {} {0.399254803674 0.675900596736 0.321456098146} H7 14 1
1 {} {0.637531685057 0.707234649019 0.276058455425} H8 15 1
1 {} {0.557959726511 0.685777605583 0.504659792098} H10 16 1
8 {} {0.267363357182 0.641814570101 0.628623023073} O 17 1
1 {} {0.355264292592 0.678434604513 0.609016954392} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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