./iterations/neb0_image08_iter297.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.474050050485 0.211334459166 0.494218077118} O1 1 1
14 {} {0.334727302022 0.214064124313 0.580483892571} Si1 2 1
14 {} {0.610819034013 0.293925967143 0.45300205459} Si2 3 1
8 {} {0.577892197251 0.452413506076 0.431350741158} O2 4 1
8 {} {0.319982863031 0.356159816521 0.661746144318} O3 5 1
14 {} {0.295670068248 0.518065464454 0.656527811334} Si3 6 1
14 {} {0.503317643498 0.5980744994 0.442299500422} Si4 7 1
1 {} {0.336886283801 0.105043103502 0.681782701478} H1 8 1
1 {} {0.222421487671 0.19858683679 0.483887886893} H2 9 1
1 {} {0.662837770332 0.23915862904 0.324307556007} H3 10 1
1 {} {0.709487235417 0.279508753078 0.564241958159} H4 11 1
1 {} {0.149907558457 0.546166675297 0.659756572479} H5 12 1
1 {} {0.366586407737 0.578163130227 0.772695363478} H6 13 1
1 {} {0.320012289085 0.909214313235 0.467340484046} H7 14 1
1 {} {0.478863123332 0.649288520609 0.305044970136} H8 15 1
1 {} {0.590467903163 0.688842856078 0.52215960362} H10 16 1
8 {} {0.357659274874 0.580247150127 0.516558023994} O 17 1
1 {} {0.298497645648 0.854259974794 0.513654462691} 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