./iterations/neb0_image06_iter276.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.469148343363 0.252296614026 0.48680287293} O1 1 1
14 {} {0.323698419436 0.223978867999 0.559054286367} Si1 2 1
14 {} {0.608358436063 0.339498297193 0.473027916794} Si2 3 1
8 {} {0.585950446383 0.49076974859 0.533408049711} O2 4 1
8 {} {0.252436218884 0.354241329059 0.631115301078} O3 5 1
14 {} {0.273354443955 0.514328805715 0.658267193616} Si3 6 1
14 {} {0.494726835606 0.610479773062 0.463618915558} Si4 7 1
1 {} {0.341569661696 0.124014441603 0.667113241667} H1 8 1
1 {} {0.238623478122 0.175228158632 0.448415703874} H2 9 1
1 {} {0.638480408931 0.352158636437 0.326279260779} H3 10 1
1 {} {0.718373828376 0.275896063808 0.549871299029} H4 11 1
1 {} {0.145513696449 0.568243232601 0.714117111418} H5 12 1
1 {} {0.380058688338 0.55499632602 0.753624450496} H6 13 1
1 {} {0.404261531347 0.784766544804 0.493180527631} H7 14 1
1 {} {0.472265474824 0.609770825916 0.319785286588} H8 15 1
1 {} {0.595671402279 0.723966530168 0.472885741882} H10 16 1
8 {} {0.328768087696 0.572923015483 0.513794038827} O 17 1
1 {} {0.338826677525 0.744960969854 0.466697151235} 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