iterations/neb0_image09_iter181.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 {} {0.472038199328 0.216444146116 0.494066173294} O1 1 1
14 {} {0.333548792056 0.215536970927 0.582346029608} Si1 2 1
14 {} {0.605514615602 0.298253323605 0.444528188724} Si2 3 1
8 {} {0.568070615345 0.452406829332 0.400944279414} O2 4 1
8 {} {0.323216633015 0.349233022045 0.678057031094} O3 5 1
14 {} {0.299158695824 0.511901980857 0.673014798841} Si3 6 1
14 {} {0.510410656205 0.597536234099 0.452134315233} Si4 7 1
1 {} {0.335739558431 0.0971023820982 0.671459798158} H1 8 1
1 {} {0.218258878103 0.212801942393 0.488047960659} H2 9 1
1 {} {0.659515487374 0.229178653204 0.324813917369} H3 10 1
1 {} {0.704526290135 0.302222905308 0.556013931354} H4 11 1
1 {} {0.153987402247 0.540820216543 0.659142051382} H5 12 1
1 {} {0.355504210613 0.568293316616 0.798414649303} H6 13 1
1 {} {0.319029031831 0.90478200476 0.425469641191} H7 14 1
1 {} {0.474085734405 0.676201053187 0.331899518271} H8 15 1
1 {} {0.614795368635 0.665562380252 0.533826698367} H10 16 1
8 {} {0.3745981547 0.5782964532 0.542831234988} O 17 1
1 {} {0.288087782987 0.85594410965 0.474047495786} 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