./iterations/neb0_image04_iter156.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.464240201444 0.247123603368 0.48607733424} O1 1 1
14 {} {0.325231908836 0.231049387939 0.573145258767} Si1 2 1
14 {} {0.588887232002 0.345045882248 0.442961245242} Si2 3 1
8 {} {0.535365764767 0.495857794305 0.412361713792} O2 4 1
8 {} {0.302930718456 0.354236495298 0.677073736422} O3 5 1
14 {} {0.258458359472 0.509128818684 0.707042026058} Si3 6 1
14 {} {0.553422842343 0.660005036898 0.399636687685} Si4 7 1
1 {} {0.337077840707 0.10548113265 0.652390943718} H1 8 1
1 {} {0.215846399703 0.220122825136 0.472976943204} H2 9 1
1 {} {0.648100388443 0.289272632926 0.319109600489} H3 10 1
1 {} {0.691695310336 0.346216606168 0.550471867194} H4 11 1
1 {} {0.111707290425 0.520313702029 0.732523072883} H5 12 1
1 {} {0.34257619104 0.554206583116 0.819823367811} H6 13 1
1 {} {0.422383861011 0.733771063666 0.415361224861} H7 14 1
1 {} {0.606417388731 0.691367265632 0.261921414788} H8 15 1
1 {} {0.648927375077 0.71126959309 0.505146759891} H10 16 1
8 {} {0.301974565731 0.592014620791 0.571258639682} O 17 1
1 {} {0.254842411001 0.666034813997 0.531776217165} 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