./iterations/neb0_image03_iter242.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.455520737896 0.268140092289 0.489727243168} O1 1 1
14 {} {0.323321585592 0.239006719441 0.581764301027} Si1 2 1
14 {} {0.583551701232 0.35074006588 0.429736812403} Si2 3 1
8 {} {0.534739852423 0.495099883345 0.367815951419} O2 4 1
8 {} {0.303125875224 0.352312871402 0.69876942564} O3 5 1
14 {} {0.254992267154 0.504171118947 0.738595848707} Si3 6 1
14 {} {0.565739537597 0.657187100702 0.360930418049} Si4 7 1
1 {} {0.341336029192 0.108192875049 0.648632705608} H1 8 1
1 {} {0.20651073546 0.239486934715 0.489824408955} H2 9 1
1 {} {0.643049472464 0.269592844434 0.319456336296} H3 10 1
1 {} {0.683078656719 0.376164991431 0.538635862294} H4 11 1
1 {} {0.10589754167 0.506947794407 0.741188188804} H5 12 1
1 {} {0.31644702616 0.537070647053 0.869687625679} H6 13 1
1 {} {0.435773728002 0.724193154358 0.328224388768} H7 14 1
1 {} {0.666105460424 0.685458869348 0.254609573075} H8 15 1
1 {} {0.619820338254 0.708121123156 0.490993650262} H10 16 1
8 {} {0.310154117057 0.619101351997 0.632869957954} O 17 1
1 {} {0.260921514882 0.631529627493 0.54959493718} 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