iterations/neb0_image01_iter173.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 {} {0.464971766625 0.253948042362 0.476827609741} O1 1 1
14 {} {0.327159593309 0.2510492849 0.566196844929} Si1 2 1
14 {} {0.597969280819 0.335877992841 0.427113913839} Si2 3 1
8 {} {0.556695433088 0.476542358606 0.353184843313} O2 4 1
8 {} {0.325182448677 0.377266224003 0.671619720266} O3 5 1
14 {} {0.256328467578 0.513462760019 0.732565186821} Si3 6 1
14 {} {0.537495854883 0.639681764883 0.362923948278} Si4 7 1
1 {} {0.326296940276 0.124473946689 0.644206664898} H1 8 1
1 {} {0.210583322878 0.259727851759 0.473827254902} H2 9 1
1 {} {0.667136702863 0.250736819393 0.327098541192} H3 10 1
1 {} {0.684184525645 0.366762275979 0.544894246009} H4 11 1
1 {} {0.110167046002 0.493619367503 0.750943941299} H5 12 1
1 {} {0.327314961928 0.540730569928 0.86071209748} H6 13 1
1 {} {0.399511436434 0.676406408559 0.320399630663} H7 14 1
1 {} {0.638077712398 0.707274362524 0.276126023616} H8 15 1
1 {} {0.557741241806 0.68564880513 0.504551028157} H10 16 1
8 {} {0.26773051984 0.641437134608 0.628783943345} O 17 1
1 {} {0.355538691996 0.677871883567 0.609082471313} 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