iterations/neb0_image05_iter299.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 {} {0.467068695297 0.285858433102 0.494332516844} O1 1 1
14 {} {0.324679519017 0.237441891239 0.560594094885} Si1 2 1
14 {} {0.61658767044 0.349544040705 0.476204517457} Si2 3 1
8 {} {0.617150473404 0.504936174336 0.528759842034} O2 4 1
8 {} {0.241115551163 0.366475050373 0.617694388659} O3 5 1
14 {} {0.227342877161 0.527051744473 0.647866078328} Si3 6 1
14 {} {0.579843704587 0.653956296565 0.467704931272} Si4 7 1
1 {} {0.349596865192 0.137645062226 0.669911787918} H1 8 1
1 {} {0.244175705309 0.180580332206 0.450795927782} H2 9 1
1 {} {0.649177545902 0.348358280823 0.329497472126} H3 10 1
1 {} {0.715894282273 0.272179404651 0.556713608358} H4 11 1
1 {} {0.116671022629 0.557107481852 0.744166280111} H5 12 1
1 {} {0.36070536119 0.565183542424 0.700606873253} H6 13 1
1 {} {0.551701422417 0.744032111589 0.582487089094} H7 14 1
1 {} {0.457748822616 0.647286518789 0.38023784586} H8 15 1
1 {} {0.69337782685 0.702600766991 0.384068533946} H10 16 1
8 {} {0.191469963487 0.614687019529 0.513364610623} O 17 1
1 {} {0.205778771596 0.577594015976 0.426051874492} 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