iterations/neb0_image04_iter201.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.465262250446 0.254870672202 0.488754440309} O1 1 1
14 {} {0.325139683678 0.229026935428 0.57097358708} Si1 2 1
14 {} {0.592390808398 0.3487713759 0.444668134851} Si2 3 1
8 {} {0.546080348934 0.502847398619 0.418354202719} O2 4 1
8 {} {0.291687146662 0.348704950508 0.677337627795} O3 5 1
14 {} {0.251265883616 0.505899268944 0.704322812371} Si3 6 1
14 {} {0.567564730915 0.664463115681 0.399345330108} Si4 7 1
1 {} {0.341141322307 0.102822946974 0.648835251798} H1 8 1
1 {} {0.21638277635 0.217863654995 0.470652649633} H2 9 1
1 {} {0.64699666084 0.291688427736 0.317929920926} H3 10 1
1 {} {0.695106100765 0.345223761569 0.553482716076} H4 11 1
1 {} {0.108160892444 0.517126897967 0.745410476239} H5 12 1
1 {} {0.342794578031 0.556893197705 0.809674237487} H6 13 1
1 {} {0.438645888233 0.732735482898 0.42289965914} H7 14 1
1 {} {0.612045277633 0.690702182121 0.259658075262} H8 15 1
1 {} {0.670823250384 0.713249900139 0.494961253029} H10 16 1
8 {} {0.276362129462 0.585991265871 0.561754595107} O 17 1
1 {} {0.222236288991 0.663636432075 0.54204316178} 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