iterations/neb0_image03_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_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 {} {0.459426852011 0.258150281442 0.493112183148} O1 1 1
14 {} {0.325024921072 0.234758352387 0.583181493543} Si1 2 1
14 {} {0.581926636399 0.34798091165 0.432765641691} Si2 3 1
8 {} {0.525731499911 0.491120159175 0.375245959054} O2 4 1
8 {} {0.31028393003 0.34916664758 0.698511800168} O3 5 1
14 {} {0.263300810797 0.504932708177 0.728447598288} Si3 6 1
14 {} {0.5559856647 0.653502561178 0.367032438179} Si4 7 1
1 {} {0.337354172139 0.101951089038 0.648503925917} H1 8 1
1 {} {0.208159290423 0.239757572378 0.491924063622} H2 9 1
1 {} {0.64115327143 0.273875457475 0.319556004868} H3 10 1
1 {} {0.683283385896 0.374258501271 0.537878673108} H4 11 1
1 {} {0.114561740553 0.517971252625 0.725188430628} H5 12 1
1 {} {0.322027550087 0.539958666871 0.860436247854} H6 13 1
1 {} {0.426187122753 0.720631917073 0.32978013135} H7 14 1
1 {} {0.659752309966 0.680692360485 0.259983201458} H8 15 1
1 {} {0.608674229489 0.710131796076 0.496917910747} H10 16 1
8 {} {0.324744305948 0.605832147835 0.611833097428} O 17 1
1 {} {0.262508502337 0.667845669659 0.570759003941} 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