iterations/neb0_image07_iter202.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.473720937753 0.231979558995 0.495700531502} O1 1 1
14 {} {0.333289457832 0.218152491024 0.581095598375} Si1 2 1
14 {} {0.615395892369 0.301815531701 0.451675202262} Si2 3 1
8 {} {0.598023413117 0.462706353695 0.422311834924} O2 4 1
8 {} {0.306889927852 0.348794432118 0.678280168175} O3 5 1
14 {} {0.290731663379 0.510400940167 0.653167178055} Si3 6 1
14 {} {0.496040327584 0.590687383226 0.434997520958} Si4 7 1
1 {} {0.344488413187 0.0983127886263 0.667989010953} H1 8 1
1 {} {0.221433036326 0.208137879364 0.482683760816} H2 9 1
1 {} {0.661452620282 0.23503652914 0.326444447877} H3 10 1
1 {} {0.713773451101 0.287886302584 0.562863425388} H4 11 1
1 {} {0.147890547289 0.55020219242 0.651196912085} H5 12 1
1 {} {0.367892551369 0.580371507391 0.759347583949} H6 13 1
1 {} {0.344162855876 0.913966616315 0.500795840256} H7 14 1
1 {} {0.469350739906 0.638451724389 0.296947667341} H8 15 1
1 {} {0.558735367405 0.6927085157 0.523303725127} H10 16 1
8 {} {0.352444783918 0.546735500131 0.503743147105} O 17 1
1 {} {0.314369949664 0.856171574103 0.538514247622} 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