iterations/neb0_image05_iter60.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.469043362277 0.222329116555 0.481939252975} O1 1 1
14 {} {0.331898325947 0.229881485731 0.572101289998} Si1 2 1
14 {} {0.590138589885 0.328559329563 0.442317813374} Si2 3 1
8 {} {0.525832346213 0.475889256916 0.411901030354} O2 4 1
8 {} {0.331782108366 0.36342658589 0.669216860331} O3 5 1
14 {} {0.286984648189 0.518459493031 0.688680014599} Si3 6 1
14 {} {0.503699808794 0.64104683017 0.431358891041} Si4 7 1
1 {} {0.329848457305 0.113389743392 0.664948764328} H1 8 1
1 {} {0.212686536239 0.23274638122 0.480272297648} H2 9 1
1 {} {0.654464728437 0.269573950121 0.321594441535} H3 10 1
1 {} {0.689311062061 0.339917821505 0.554236603614} H4 11 1
1 {} {0.140904563347 0.536061645304 0.686369510661} H5 12 1
1 {} {0.344677686615 0.569220435278 0.814327345494} H6 13 1
1 {} {0.393416642267 0.761704084383 0.422920183998} H7 14 1
1 {} {0.53099046772 0.681204703484 0.291890105825} H8 15 1
1 {} {0.598059567396 0.694556355828 0.532817589651} H10 16 1
8 {} {0.347973314857 0.6014088088 0.555902475526} O 17 1
1 {} {0.328373895012 0.693141927186 0.508263507238} 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
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
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 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 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