iterations/neb0_image04_iter66.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.467674168174 0.228300709765 0.483111264809} O1 1 1
14 {} {0.330595505044 0.23270708294 0.57369699833} Si1 2 1
14 {} {0.586579609502 0.333593387479 0.438121911891} Si2 3 1
8 {} {0.52052016067 0.479106151553 0.402254116455} O2 4 1
8 {} {0.327471009758 0.36480384223 0.672057116595} O3 5 1
14 {} {0.278169467689 0.517825822784 0.70111564032} Si3 6 1
14 {} {0.5230675686 0.645254565704 0.404756924805} Si4 7 1
1 {} {0.330504320598 0.115770918408 0.665016073505} H1 8 1
1 {} {0.212893672026 0.233863715967 0.481714294894} H2 9 1
1 {} {0.652343051838 0.275586123099 0.317746427286} H3 10 1
1 {} {0.683807158763 0.349816630791 0.550506569787} H4 11 1
1 {} {0.129539474968 0.528143866933 0.701774657038} H5 12 1
1 {} {0.33823849875 0.563023332072 0.829354800959} H6 13 1
1 {} {0.396013471785 0.726241519365 0.393913160038} H7 14 1
1 {} {0.583288977183 0.683425817474 0.276154986848} H8 15 1
1 {} {0.603300005871 0.693536519773 0.520118897307} H10 16 1
8 {} {0.339693237222 0.608517839061 0.576810800732} O 17 1
1 {} {0.306386768545 0.693000120238 0.542833354584} 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