iterations/neb0_image09_iter56.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472191571924 0.211775968323 0.49429103623} O1 1 1
14 {} {0.336250171033 0.216064773127 0.586304459466} Si1 2 1
14 {} {0.603088118299 0.299026633676 0.444957886151} Si2 3 1
8 {} {0.56018129226 0.451466567925 0.402205914451} O2 4 1
8 {} {0.329426094107 0.355517779981 0.674688334981} O3 5 1
14 {} {0.296459142773 0.516341262682 0.669235041572} Si3 6 1
14 {} {0.506578894587 0.599109749758 0.451074068073} Si4 7 1
1 {} {0.340633661452 0.102814405243 0.682361726007} H1 8 1
1 {} {0.217716809781 0.208827562113 0.496001418879} H2 9 1
1 {} {0.658525111323 0.23169049161 0.324976864259} H3 10 1
1 {} {0.702242569194 0.307544473963 0.556088803636} H4 11 1
1 {} {0.149813515702 0.538314327 0.655793028671} H5 12 1
1 {} {0.350859947301 0.576883638629 0.793888652156} H6 13 1
1 {} {0.323519746477 0.877676661553 0.413423669467} H7 14 1
1 {} {0.477144232286 0.677319092618 0.328995029838} H8 15 1
1 {} {0.610241426045 0.663975935393 0.536222001339} H10 16 1
8 {} {0.367727826681 0.585704560942 0.538798549125} O 17 1
1 {} {0.307486034045 0.852464063342 0.481751506994} 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
14 6 0 0
16 5 0 0
15 6 0 0
16 6 0 0
4 1 0 0
3 2 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 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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