iterations/neb0_image05_iter184.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 {} {0.473266560563 0.238272725847 0.487026791221} O1 1 1
14 {} {0.328355833703 0.22603104854 0.564442222059} Si1 2 1
14 {} {0.598445854308 0.342142765047 0.464754274734} Si2 3 1
8 {} {0.546845453317 0.496326991619 0.489806928943} O2 4 1
8 {} {0.290106133485 0.362904069414 0.644587541016} O3 5 1
14 {} {0.25201221353 0.521530790297 0.664497687911} Si3 6 1
14 {} {0.556744086121 0.652573170008 0.438143540215} Si4 7 1
1 {} {0.339139204901 0.114607717908 0.663684427704} H1 8 1
1 {} {0.224604454438 0.200409108607 0.460188037155} H2 9 1
1 {} {0.645811706081 0.330218509987 0.323701695461} H3 10 1
1 {} {0.706237952249 0.313351184019 0.564099473529} H4 11 1
1 {} {0.134621104654 0.523619400752 0.754534875905} H5 12 1
1 {} {0.368367293255 0.594254690862 0.720959928849} H6 13 1
1 {} {0.461073448798 0.726273515761 0.52566402268} H7 14 1
1 {} {0.516893415426 0.667632955058 0.29538252469} H8 15 1
1 {} {0.694982069003 0.704669916155 0.454476446144} H10 16 1
8 {} {0.209015530738 0.590985842307 0.520986126422} O 17 1
1 {} {0.263563696268 0.66671354763 0.494121590277} 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