iterations/neb0_image05_iter25.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 {} {0.469810151179 0.225870899555 0.482968387035} O1 1 1
14 {} {0.332119520199 0.23428389844 0.574424257348} Si1 2 1
14 {} {0.597769122928 0.318822934392 0.438402589368} Si2 3 1
8 {} {0.543387927103 0.473399869741 0.393881927441} O2 4 1
8 {} {0.332158714465 0.372915987001 0.66307783596} O3 5 1
14 {} {0.282135057019 0.529230612471 0.690897724952} Si3 6 1
14 {} {0.507777545573 0.636065364285 0.418401623357} Si4 7 1
1 {} {0.330745152262 0.112592932204 0.663098480906} H1 8 1
1 {} {0.215286994662 0.232689960446 0.480006936786} H2 9 1
1 {} {0.665641773623 0.241001104098 0.327343290921} H3 10 1
1 {} {0.694505990842 0.328410049552 0.554030356535} H4 11 1
1 {} {0.134695091312 0.51675956563 0.704139475716} H5 12 1
1 {} {0.339917108548 0.55623426062 0.824060214704} H6 13 1
1 {} {0.361723897675 0.778271889705 0.416409997402} H7 14 1
1 {} {0.545200242844 0.685843636008 0.284551457773} H8 15 1
1 {} {0.590160016853 0.67865241112 0.532428132515} H10 16 1
8 {} {0.337414256975 0.632154844878 0.569754696775} O 17 1
1 {} {0.329637573504 0.71931773899 0.513180601593} 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