./iterations/neb0_image01_iter80.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.467860398486 0.241379200765 0.473061159852} O1 1 1
14 {} {0.328353854299 0.249064324877 0.559662342297} Si1 2 1
14 {} {0.59835891885 0.33162991996 0.430226610322} Si2 3 1
8 {} {0.55149501154 0.475429158588 0.367297806958} O2 4 1
8 {} {0.331410074453 0.379780074083 0.659103608355} O3 5 1
14 {} {0.263587236186 0.515275604507 0.722706958272} Si3 6 1
14 {} {0.530517439172 0.63825305979 0.373736318235} Si4 7 1
1 {} {0.319639983244 0.126028084106 0.642600992078} H1 8 1
1 {} {0.213333793635 0.259784168767 0.465769782175} H2 9 1
1 {} {0.671337823489 0.256678572087 0.324744575308} H3 10 1
1 {} {0.682341031395 0.356299767214 0.550915272741} H4 11 1
1 {} {0.119619784816 0.489200454597 0.746830540546} H5 12 1
1 {} {0.339820685594 0.54679279813 0.846626238067} H6 13 1
1 {} {0.388213807183 0.670121944096 0.344639726929} H7 14 1
1 {} {0.619992389087 0.703061092111 0.273750195755} H8 15 1
1 {} {0.565890505794 0.690486528943 0.510009785677} H10 16 1
8 {} {0.269177026019 0.644814382252 0.619511948917} O 17 1
1 {} {0.349136380311 0.698438801321 0.619864136241} 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
12 5 0 0
1 0 0 0
2 0 0 0
16 5 0 0
4 1 0 0
3 2 0 0
17 16 0 0
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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