./iterations/neb0_image01_iter61.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 {} {0.467829652341 0.240410837299 0.472416234031} O1 1 1
14 {} {0.328426978424 0.248834722845 0.559111671605} Si1 2 1
14 {} {0.59843064607 0.331269803935 0.430822451956} Si2 3 1
8 {} {0.551609133084 0.475160563287 0.368180313374} O2 4 1
8 {} {0.332983010557 0.379738284932 0.658448950825} O3 5 1
14 {} {0.264757305798 0.515246775285 0.722491126879} Si3 6 1
14 {} {0.529703026932 0.637969643223 0.37433857702} Si4 7 1
1 {} {0.319366022411 0.125400312542 0.641823149622} H1 8 1
1 {} {0.213135713063 0.260165233155 0.465232406964} H2 9 1
1 {} {0.671120487996 0.256756207216 0.325059152059} H3 10 1
1 {} {0.682676372455 0.355843702854 0.551455512675} H4 11 1
1 {} {0.120062694626 0.490743936901 0.74595155381} H5 12 1
1 {} {0.341070782562 0.545027394607 0.846878450518} H6 13 1
1 {} {0.387480546473 0.670139236653 0.345616115789} H7 14 1
1 {} {0.618636720514 0.702829550124 0.273864986569} H8 15 1
1 {} {0.565961830603 0.690743081468 0.510219784851} H10 16 1
8 {} {0.269326620917 0.643765775393 0.619329132122} O 17 1
1 {} {0.347508603053 0.702472890347 0.61981842014} 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