./iterations/neb0_image02_iter3.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 {} {0.467981942872 0.241175262206 0.474783626313} O1 1 1
14 {} {0.328331107064 0.247323511377 0.560616786811} Si1 2 1
14 {} {0.603033641868 0.323812069707 0.433973419458} Si2 3 1
8 {} {0.56441879825 0.470524980341 0.369392741625} O2 4 1
8 {} {0.331255475086 0.37401586987 0.658614676388} O3 5 1
14 {} {0.268626300571 0.512328377265 0.7247725424} Si3 6 1
14 {} {0.522266167937 0.631663253248 0.379601181627} Si4 7 1
1 {} {0.319857951552 0.124852753993 0.643798007095} H1 8 1
1 {} {0.214458068781 0.257767661019 0.465808236976} H2 9 1
1 {} {0.673361783343 0.245955525949 0.329586831783} H3 10 1
1 {} {0.687188267314 0.344835562907 0.55456694768} H4 11 1
1 {} {0.123658621968 0.492422853721 0.737715437021} H5 12 1
1 {} {0.341919949863 0.535644305491 0.848340421216} H6 13 1
1 {} {0.378950942073 0.71328359939 0.342220620571} H7 14 1
1 {} {0.59799014057 0.700831615617 0.277882473071} H8 15 1
1 {} {0.56554461079 0.686866888803 0.509403704827} H10 16 1
8 {} {0.290011652629 0.645999813402 0.619214395035} O 17 1
1 {} {0.331230717617 0.723214055867 0.600765950107} 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