./iterations/neb0_image02_iter252.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.458131741249 0.265022888788 0.490026073313} O1 1 1
14 {} {0.32680412641 0.239897394008 0.584625751573} Si1 2 1
14 {} {0.583643845411 0.349294785873 0.427821779364} Si2 3 1
8 {} {0.531760117207 0.492162818454 0.366081920261} O2 4 1
8 {} {0.311796372971 0.355645674358 0.700057651777} O3 5 1
14 {} {0.243840573708 0.50264664757 0.732023815251} Si3 6 1
14 {} {0.561385331111 0.654097370304 0.356622121862} Si4 7 1
1 {} {0.344762947784 0.110087174585 0.654297486544} H1 8 1
1 {} {0.205671123375 0.239384757912 0.497658028991} H2 9 1
1 {} {0.641875698755 0.268323520436 0.317772571551} H3 10 1
1 {} {0.682223867106 0.377388323628 0.536003093169} H4 11 1
1 {} {0.0972868074837 0.486605444283 0.748412658526} H5 12 1
1 {} {0.311183083696 0.554320767526 0.854282636737} H6 13 1
1 {} {0.436355999018 0.720629935864 0.310845419549} H7 14 1
1 {} {0.673487367572 0.681213718494 0.261980841154} H8 15 1
1 {} {0.600738239829 0.70796973251 0.491195430865} H10 16 1
8 {} {0.258654129095 0.60888538779 0.606410267509} O 17 1
1 {} {0.34048493945 0.658941785384 0.594940366296} 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
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 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 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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