iterations/neb0_image07_iter94.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.470585549238 0.221452365445 0.490289368512} O1 1 1
14 {} {0.331091037805 0.22324655089 0.578005111796} Si1 2 1
14 {} {0.600158224477 0.31239418818 0.445263819524} Si2 3 1
8 {} {0.557138903865 0.464587046015 0.402989013923} O2 4 1
8 {} {0.326627115376 0.352993723878 0.679824322806} O3 5 1
14 {} {0.298206747316 0.515429795481 0.677704776402} Si3 6 1
14 {} {0.503769023525 0.610779757836 0.452992075962} Si4 7 1
1 {} {0.326975336913 0.100300067417 0.662111123823} H1 8 1
1 {} {0.215776384695 0.230618292071 0.482834620655} H2 9 1
1 {} {0.65951804423 0.255393525339 0.322309738444} H3 10 1
1 {} {0.694228555165 0.320540602726 0.560264266106} H4 11 1
1 {} {0.15201756728 0.541187619374 0.667844523918} H5 12 1
1 {} {0.354917452703 0.569302582807 0.803898160354} H6 13 1
1 {} {0.35182698428 0.822251179655 0.426801725636} H7 14 1
1 {} {0.483781781584 0.682502258162 0.323682179065} H8 15 1
1 {} {0.605505367564 0.68365180697 0.535092707728} H10 16 1
8 {} {0.369822683138 0.585750019601 0.54681940525} O 17 1
1 {} {0.308139370004 0.78013658306 0.472331004656} 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