iterations/neb0_image06_iter124.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.470067708724 0.227316702099 0.489579026866} O1 1 1
14 {} {0.329743254867 0.224236079497 0.574512871771} Si1 2 1
14 {} {0.600186016489 0.319090762254 0.448753997148} Si2 3 1
8 {} {0.558396627715 0.473677235569 0.417944491251} O2 4 1
8 {} {0.322082427832 0.354218074494 0.675611497942} O3 5 1
14 {} {0.292625435313 0.515258949875 0.668420400674} Si3 6 1
14 {} {0.494152742252 0.619653755015 0.445605642489} Si4 7 1
1 {} {0.329166830361 0.101370597981 0.657964731368} H1 8 1
1 {} {0.214119785141 0.225847456622 0.479660675474} H2 9 1
1 {} {0.65495464532 0.263801081957 0.322931872635} H3 10 1
1 {} {0.698479670864 0.321954797777 0.560440869383} H4 11 1
1 {} {0.145281590211 0.537087901882 0.675736506235} H5 12 1
1 {} {0.361440060019 0.578166351553 0.78458914234} H6 13 1
1 {} {0.37979722069 0.801727907174 0.463913951364} H7 14 1
1 {} {0.487917230634 0.679671690148 0.30756478762} H8 15 1
1 {} {0.591470690205 0.698408624506 0.530395893937} H10 16 1
8 {} {0.351341043559 0.576228474438 0.526371769633} O 17 1
1 {} {0.328863110266 0.754801482468 0.501059858668} 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