./iterations/neb0_image05_iter245.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.471522686711 0.257524662304 0.491418837478} O1 1 1
14 {} {0.325367616047 0.229126179797 0.559294223666} Si1 2 1
14 {} {0.608310488419 0.346359472227 0.470997742371} Si2 3 1
8 {} {0.580272428515 0.503941525622 0.514452855244} O2 4 1
8 {} {0.266210239364 0.365121248247 0.625800394289} O3 5 1
14 {} {0.235575902901 0.524185755427 0.659008754835} Si3 6 1
14 {} {0.573258034562 0.657714904821 0.453441744972} Si4 7 1
1 {} {0.338566340186 0.125326850264 0.666046993975} H1 8 1
1 {} {0.234033836107 0.182134298253 0.450743146982} H2 9 1
1 {} {0.648525240464 0.33702702935 0.327119187832} H3 10 1
1 {} {0.714681828573 0.289576980308 0.558430883312} H4 11 1
1 {} {0.137076306554 0.530060940358 0.769739960692} H5 12 1
1 {} {0.363846228847 0.590878147102 0.693712215544} H6 13 1
1 {} {0.511076672012 0.749361821758 0.552291276631} H7 14 1
1 {} {0.486183498221 0.651908904046 0.330722593069} H8 15 1
1 {} {0.711500801211 0.707881529971 0.421572997059} H10 16 1
8 {} {0.170416657587 0.605067400488 0.529687728882} O 17 1
1 {} {0.233661224673 0.619320427415 0.456576657454} 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