iterations/neb0_image09_iter19.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 {} {0.47207553141 0.215258303392 0.49509154049} O1 1 1
14 {} {0.335951693139 0.217557148914 0.588180599929} Si1 2 1
14 {} {0.603651638767 0.29883280447 0.444147290106} Si2 3 1
8 {} {0.559972048056 0.451266295305 0.399919083439} O2 4 1
8 {} {0.327556630068 0.356133253847 0.67493327273} O3 5 1
14 {} {0.294569901567 0.517291984966 0.669859467903} Si3 6 1
14 {} {0.507414570886 0.599216908141 0.446725275287} Si4 7 1
1 {} {0.342804067876 0.104947964585 0.685211267664} H1 8 1
1 {} {0.217755189211 0.206876503597 0.497208955869} H2 9 1
1 {} {0.658523073993 0.226856927582 0.326054756641} H3 10 1
1 {} {0.703365249744 0.306335284872 0.555078134607} H4 11 1
1 {} {0.146096362837 0.532447880384 0.662688076793} H5 12 1
1 {} {0.345766549767 0.572091826683 0.799120412834} H6 13 1
1 {} {0.322492197374 0.884797637584 0.411393900856} H7 14 1
1 {} {0.491547114078 0.674263812109 0.321726545941} H8 15 1
1 {} {0.608227471799 0.664908132092 0.532903080149} H10 16 1
8 {} {0.366889061428 0.587146214243 0.538813067526} O 17 1
1 {} {0.305427802845 0.856289073393 0.48200326993} 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