./iterations/neb0_image03_iter244.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.455656774954 0.267667352714 0.489464725543} O1 1 1
14 {} {0.323349099702 0.239279882958 0.581597887032} Si1 2 1
14 {} {0.583962867965 0.350226065618 0.42983973619} Si2 3 1
8 {} {0.534989550606 0.494783707592 0.368080286458} O2 4 1
8 {} {0.303309210575 0.352700717642 0.697771776511} O3 5 1
14 {} {0.255044552572 0.504530278248 0.738159468979} Si3 6 1
14 {} {0.565034951694 0.657177620686 0.36141178544} Si4 7 1
1 {} {0.341173822501 0.108622411455 0.648603910803} H1 8 1
1 {} {0.206605838403 0.239442727228 0.489719239008} H2 9 1
1 {} {0.643536536994 0.269109811807 0.319247742078} H3 10 1
1 {} {0.683244214924 0.375661430999 0.539216691447} H4 11 1
1 {} {0.106132548797 0.50652571979 0.741397386928} H5 12 1
1 {} {0.316770722661 0.537512841477 0.869108229465} H6 13 1
1 {} {0.434825803236 0.724199727471 0.32934687152} H7 14 1
1 {} {0.665167509958 0.685713848741 0.254630263865} H8 15 1
1 {} {0.619796498342 0.707707300552 0.491434365447} H10 16 1
8 {} {0.309482081606 0.61896857704 0.632278545886} O 17 1
1 {} {0.262003587739 0.632688044609 0.549748720229} 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