./iterations/neb0_image05_iter165.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.474543462691 0.233899380678 0.486778123347} O1 1 1
14 {} {0.330824198582 0.227428901559 0.564950159452} Si1 2 1
14 {} {0.595419409152 0.341536225239 0.461233237752} Si2 3 1
8 {} {0.537954623012 0.494533847534 0.480735178289} O2 4 1
8 {} {0.299700121861 0.362197526026 0.650655156374} O3 5 1
14 {} {0.256988671302 0.520330149467 0.664926678536} Si3 6 1
14 {} {0.549884299285 0.652843958263 0.435849085694} Si4 7 1
1 {} {0.337711782254 0.11671364553 0.662554516851} H1 8 1
1 {} {0.22539024878 0.203407151367 0.462240680347} H2 9 1
1 {} {0.648385556678 0.321282985701 0.322806971569} H3 10 1
1 {} {0.701268500825 0.314799502563 0.561802420924} H4 11 1
1 {} {0.134502568914 0.527593873688 0.747249543324} H5 12 1
1 {} {0.366662092323 0.589261832629 0.735275359318} H6 13 1
1 {} {0.451567977269 0.732512183658 0.514707945428} H7 14 1
1 {} {0.516715354154 0.664170250478 0.292774735476} H8 15 1
1 {} {0.687902778435 0.705824594703 0.469938304422} H10 16 1
8 {} {0.227244685919 0.58867762269 0.51567018874} O 17 1
1 {} {0.267419684928 0.675504299735 0.500909836198} 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
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
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 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 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