./iterations/neb0_image01_iter258.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.462590370935 0.259296332914 0.479578103864} O1 1 1
14 {} {0.327296477979 0.249346566834 0.571521174418} Si1 2 1
14 {} {0.595573484498 0.338628157776 0.426294234399} Si2 3 1
8 {} {0.554846601997 0.47791089183 0.349804217716} O2 4 1
8 {} {0.321705084969 0.369830044436 0.682791395478} O3 5 1
14 {} {0.254118033885 0.511067494072 0.732938887824} Si3 6 1
14 {} {0.540287405576 0.641371744533 0.358979290912} Si4 7 1
1 {} {0.331766891909 0.119874343552 0.643958575044} H1 8 1
1 {} {0.208675255522 0.258218058973 0.482300633599} H2 9 1
1 {} {0.662738707974 0.251498474279 0.326962306817} H3 10 1
1 {} {0.682764217985 0.3715447034 0.54238554068} H4 11 1
1 {} {0.107576383651 0.494197831137 0.746853148814} H5 12 1
1 {} {0.321256194472 0.546702726378 0.860658316586} H6 13 1
1 {} {0.406833379465 0.681125965993 0.306296720166} H7 14 1
1 {} {0.649193167236 0.705808641074 0.280604579951} H8 15 1
1 {} {0.552637530805 0.687087719941 0.501336939678} H10 16 1
8 {} {0.271677615394 0.632902274221 0.622173691698} O 17 1
1 {} {0.358549098803 0.676105739848 0.615620134684} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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