./iterations/neb0_image07_iter14.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 {} {0.469646459521 0.224230942714 0.486748435232} O1 1 1
14 {} {0.332760465876 0.225938077171 0.576790564275} Si1 2 1
14 {} {0.603732037354 0.307267501537 0.440594450538} Si2 3 1
8 {} {0.559322258054 0.45905656254 0.388475666775} O2 4 1
8 {} {0.330346273066 0.359784270461 0.672963767131} O3 5 1
14 {} {0.288337817186 0.519698988072 0.683557836586} Si3 6 1
14 {} {0.499114416109 0.608546296402 0.439625905466} Si4 7 1
1 {} {0.33430082592 0.110426691878 0.669393899447} H1 8 1
1 {} {0.215801347285 0.225962931693 0.484059500844} H2 9 1
1 {} {0.66472912308 0.234074928066 0.326526853895} H3 10 1
1 {} {0.697908792055 0.321549660403 0.555518516033} H4 11 1
1 {} {0.133300839834 0.517768028852 0.693543988777} H5 12 1
1 {} {0.34388009462 0.558744002348 0.822111908893} H6 13 1
1 {} {0.33590788556 0.819663279946 0.420983729659} H7 14 1
1 {} {0.52546583159 0.685821461662 0.300375386191} H8 15 1
1 {} {0.596530307378 0.676003991681 0.530536285023} H10 16 1
8 {} {0.354315959941 0.60808104488 0.551815164104} O 17 1
1 {} {0.324685408981 0.809899297731 0.487436146304} 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