iterations/neb0_image06_iter212.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.474813484564 0.227446007806 0.486430818237} O1 1 1
14 {} {0.331091495705 0.216076941035 0.565811769062} Si1 2 1
14 {} {0.608890357489 0.319499961213 0.460151891215} Si2 3 1
8 {} {0.574128776505 0.477752302074 0.476518333408} O2 4 1
8 {} {0.29754696584 0.351902697231 0.651720169475} O3 5 1
14 {} {0.285169554687 0.515986702141 0.651619561426} Si3 6 1
14 {} {0.488918685953 0.613498280877 0.447602094971} Si4 7 1
1 {} {0.333905875636 0.102756517733 0.66419391746} H1 8 1
1 {} {0.224428397639 0.196238245495 0.463065387193} H2 9 1
1 {} {0.651444760675 0.296780137515 0.319250507345} H3 10 1
1 {} {0.713642053577 0.293263402928 0.562975088443} H4 11 1
1 {} {0.145874152481 0.547444251087 0.693952971799} H5 12 1
1 {} {0.383450030405 0.576278065587 0.743709712141} H6 13 1
1 {} {0.388338871793 0.81039980258 0.530054570162} H7 14 1
1 {} {0.468593802542 0.653064829542 0.306052556218} H8 15 1
1 {} {0.588435626122 0.715458089852 0.499509727163} H10 16 1
8 {} {0.330288259971 0.575606832726 0.503981819416} O 17 1
1 {} {0.321124781498 0.783064847601 0.504457224386} 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