iterations/neb0_image02_iter103.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.467616682193 0.238032513279 0.479012105284} O1 1 1
14 {} {0.329304421423 0.242627020027 0.567401310126} Si1 2 1
14 {} {0.59354087545 0.332561623836 0.43216269563} Si2 3 1
8 {} {0.539853114505 0.476074474164 0.374283924239} O2 4 1
8 {} {0.33062410401 0.374044007333 0.666268247242} O3 5 1
14 {} {0.26409762488 0.516218859903 0.715694863593} Si3 6 1
14 {} {0.532404805187 0.640632327964 0.376968334607} Si4 7 1
1 {} {0.325646258714 0.120262499973 0.651536615734} H1 8 1
1 {} {0.213431908277 0.248308284561 0.474153597839} H2 9 1
1 {} {0.663100405601 0.261114444861 0.322092917328} H3 10 1
1 {} {0.684222385364 0.355615184581 0.548619057071} H4 11 1
1 {} {0.118213750394 0.496002853019 0.737699894903} H5 12 1
1 {} {0.336738927063 0.558483180446 0.838876896432} H6 13 1
1 {} {0.393241623553 0.686142895637 0.352591590576} H7 14 1
1 {} {0.621763008869 0.695580674307 0.270874984211} H8 15 1
1 {} {0.578472714575 0.691610570327 0.510208140421} H10 16 1
8 {} {0.278024064104 0.633024678999 0.599580094491} O 17 1
1 {} {0.339789435123 0.706181893397 0.613032738894} 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
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 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 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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