./iterations/neb0_image09_iter61.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472365891104 0.212182920436 0.494374781238} O1 1 1
14 {} {0.33620426477 0.216231394637 0.586444175642} Si1 2 1
14 {} {0.603041635413 0.29883250269 0.445058133618} Si2 3 1
8 {} {0.560030847059 0.451599785275 0.402216033974} O2 4 1
8 {} {0.329294537749 0.35520901172 0.674543660404} O3 5 1
14 {} {0.296415545685 0.516321535263 0.669456208932} Si3 6 1
14 {} {0.50643534678 0.598987430551 0.451282182954} Si4 7 1
1 {} {0.3404031605 0.102680910654 0.682038807489} H1 8 1
1 {} {0.217998802253 0.208922011021 0.496058877898} H2 9 1
1 {} {0.658632039746 0.231912080059 0.324878524026} H3 10 1
1 {} {0.702064008123 0.307191637105 0.556251275272} H4 11 1
1 {} {0.150101649619 0.538343419617 0.655551859627} H5 12 1
1 {} {0.35107755414 0.576866911289 0.793714685201} H6 13 1
1 {} {0.32359062023 0.877774812241 0.413248268621} H7 14 1
1 {} {0.476522934827 0.677781489175 0.329192727302} H8 15 1
1 {} {0.610448704993 0.663845779684 0.536205869679} H10 16 1
8 {} {0.368073916573 0.585579517405 0.538513989655} O 17 1
1 {} {0.307384707624 0.852254796803 0.482027925076} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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