iterations/neb0_image05_iter210.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.474374409571 0.246282107061 0.489637540473} O1 1 1
14 {} {0.327528647113 0.2280220708 0.560879072794} Si1 2 1
14 {} {0.603298982173 0.343896683384 0.468343294807} Si2 3 1
8 {} {0.561825706934 0.500264994185 0.502641609585} O2 4 1
8 {} {0.278033280649 0.3639843566 0.637133206201} O3 5 1
14 {} {0.241420034225 0.523029888745 0.661944230498} Si3 6 1
14 {} {0.568276856559 0.654936510077 0.44516843935} Si4 7 1
1 {} {0.338438434365 0.119556085518 0.66114433878} H1 8 1
1 {} {0.227253424276 0.188803088655 0.457517381828} H2 9 1
1 {} {0.645447057929 0.338090521844 0.32628360454} H3 10 1
1 {} {0.710356027362 0.30413441946 0.562136620733} H4 11 1
1 {} {0.134051794158 0.522562043424 0.769320627122} H5 12 1
1 {} {0.366919993461 0.596091614886 0.699173654758} H6 13 1
1 {} {0.483473132275 0.732465608109 0.543287579239} H7 14 1
1 {} {0.505735555598 0.661869547467 0.307834642528} H8 15 1
1 {} {0.708067019782 0.706359578662 0.435518369618} H10 16 1
8 {} {0.180597630289 0.597993917442 0.526770544853} O 17 1
1 {} {0.254988017894 0.644174964741 0.47632342079} 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