iterations/neb0_image07_iter33.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.469675545792 0.22379441409 0.483276913842} O1 1 1
14 {} {0.332918513373 0.228685293528 0.573129784718} Si1 2 1
14 {} {0.598987330756 0.314570864263 0.440500474729} Si2 3 1
8 {} {0.54630138893 0.46374183883 0.399375957513} O2 4 1
8 {} {0.33249286582 0.360530853234 0.668844265119} O3 5 1
14 {} {0.295611788847 0.51893304058 0.67812716067} Si3 6 1
14 {} {0.500225032483 0.611698352423 0.451194576473} Si4 7 1
1 {} {0.330347861556 0.109876099466 0.661421590172} H1 8 1
1 {} {0.216277086507 0.232489478017 0.481024775497} H2 9 1
1 {} {0.664375263361 0.244148673011 0.328007090113} H3 10 1
1 {} {0.693912492121 0.327943525808 0.553495645493} H4 11 1
1 {} {0.148035069331 0.527019059856 0.689816908061} H5 12 1
1 {} {0.343802596885 0.563326732371 0.810728318559} H6 13 1
1 {} {0.341543493676 0.806728946511 0.418060512677} H7 14 1
1 {} {0.501773206099 0.680613533401 0.318967709231} H8 15 1
1 {} {0.598172676084 0.680151579705 0.538711891721} H10 16 1
8 {} {0.365199384247 0.58985963933 0.548188440648} O 17 1
1 {} {0.330434556557 0.788406043793 0.488185978908} 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