iterations/neb0_image08_iter91.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471745987364 0.218569354246 0.489536234981} O1 1 1
14 {} {0.333052205418 0.221056094795 0.577926298087} Si1 2 1
14 {} {0.602824702638 0.307298078219 0.444539495015} Si2 3 1
8 {} {0.559827087981 0.459568784066 0.400106432144} O2 4 1
8 {} {0.329109404689 0.352236916266 0.67832311028} O3 5 1
14 {} {0.298760422727 0.51429792946 0.675454366246} Si3 6 1
14 {} {0.504721810019 0.604898864284 0.453624264597} Si4 7 1
1 {} {0.329731063728 0.0993657409739 0.663305945849} H1 8 1
1 {} {0.21758310559 0.226608630411 0.483277071136} H2 9 1
1 {} {0.663417445547 0.244519815534 0.324749548795} H3 10 1
1 {} {0.697211306144 0.314072411976 0.559905777719} H4 11 1
1 {} {0.152317045737 0.538120436236 0.665583942809} H5 12 1
1 {} {0.35644448352 0.57087858756 0.800160038243} H6 13 1
1 {} {0.333024568714 0.845507126897 0.417267878459} H7 14 1
1 {} {0.472654683083 0.683881320215 0.332260183228} H8 15 1
1 {} {0.608733877928 0.671062841329 0.537919039164} H10 16 1
8 {} {0.368084597175 0.584670800234 0.544225494411} O 17 1
1 {} {0.310842332695 0.815904250661 0.48289283266} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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