iterations/neb0_image03_iter184.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 {} {0.459805740732 0.262262199579 0.493451503735} O1 1 1
14 {} {0.324993394929 0.236304318819 0.582027018676} Si1 2 1
14 {} {0.583439467239 0.349694815688 0.431633848429} Si2 3 1
8 {} {0.530087059128 0.492993781995 0.372531464897} O2 4 1
8 {} {0.307654764985 0.349562834852 0.699662788284} O3 5 1
14 {} {0.26181356769 0.504349024271 0.731872271049} Si3 6 1
14 {} {0.558526911661 0.655224117254 0.363835750288} Si4 7 1
1 {} {0.3385081986 0.104209460422 0.648533131883} H1 8 1
1 {} {0.205979371853 0.239677443338 0.492201310502} H2 9 1
1 {} {0.639808918267 0.270769320582 0.319440221317} H3 10 1
1 {} {0.683352605428 0.37515132178 0.539106035055} H4 11 1
1 {} {0.113004096856 0.515029029762 0.729258173966} H5 12 1
1 {} {0.318889556477 0.536668424741 0.864859005305} H6 13 1
1 {} {0.432114690291 0.725803976451 0.325925253254} H7 14 1
1 {} {0.661016453321 0.681125789756 0.25786277857} H8 15 1
1 {} {0.608175653624 0.70790118935 0.494312584827} H10 16 1
8 {} {0.323746499833 0.609246038373 0.620129578604} O 17 1
1 {} {0.259169255606 0.656544968602 0.564415077352} 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