iterations/neb0_image08_iter275.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 {} {0.474256063259 0.214235186516 0.4933252698} O1 1 1
14 {} {0.333317990267 0.215289947572 0.578834046444} Si1 2 1
14 {} {0.612321221527 0.293718713051 0.453433113525} Si2 3 1
8 {} {0.586124625586 0.453934615589 0.42874223313} O2 4 1
8 {} {0.315960008695 0.353014029118 0.66761444352} O3 5 1
14 {} {0.297299678291 0.516189151508 0.660032416257} Si3 6 1
14 {} {0.506706053362 0.596385583325 0.444392601594} Si4 7 1
1 {} {0.335255762558 0.101746172147 0.675015777759} H1 8 1
1 {} {0.221731196073 0.205167349609 0.480268926374} H2 9 1
1 {} {0.663411015868 0.236026099817 0.326933938864} H3 10 1
1 {} {0.710273297948 0.278197430398 0.564023918136} H4 11 1
1 {} {0.152652995977 0.549755567185 0.659224542966} H5 12 1
1 {} {0.36795462621 0.5741383918 0.777232462265} H6 13 1
1 {} {0.316252517804 0.91706283103 0.473650056602} H7 14 1
1 {} {0.47587016075 0.650555945693 0.30990173027} H8 15 1
1 {} {0.593738294056 0.6890030477 0.521630635296} H10 16 1
8 {} {0.363400308644 0.575825644467 0.521463159363} O 17 1
1 {} {0.283560341233 0.852272157559 0.495338497035} 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