iterations/neb0_image09_iter2.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 {} {0.472044291044 0.214493662452 0.497088163241} O1 1 1
14 {} {0.336551450728 0.216617722171 0.58980679347} Si1 2 1
14 {} {0.604389588473 0.296351329702 0.444808219977} Si2 3 1
8 {} {0.565082919986 0.448796312467 0.398245386126} O2 4 1
8 {} {0.32607563057 0.356739209249 0.674771081274} O3 5 1
14 {} {0.29176141591 0.514500035765 0.672857418691} Si3 6 1
14 {} {0.512350712155 0.597717529713 0.440476279815} Si4 7 1
1 {} {0.344239003173 0.105618917122 0.687558444903} H1 8 1
1 {} {0.218776509439 0.203838063461 0.500152029325} H2 9 1
1 {} {0.657401432912 0.225139731253 0.32635839916} H3 10 1
1 {} {0.704154059012 0.303578307443 0.554891600031} H4 11 1
1 {} {0.146079194685 0.532090832285 0.659350275186} H5 12 1
1 {} {0.3461664751 0.572665139763 0.797405072736} H6 13 1
1 {} {0.3217662528 0.900526476431 0.406088975856} H7 14 1
1 {} {0.495089534593 0.674695777631 0.320318536705} H8 15 1
1 {} {0.607445595483 0.662918110138 0.530311392949} H10 16 1
8 {} {0.359975943446 0.587036594968 0.546041603085} O 17 1
1 {} {0.30073613059 0.859194207885 0.484528327671} 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