iterations/neb0_image06_iter107.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.470536948898 0.225986834896 0.491372407453} O1 1 1
14 {} {0.330102710808 0.222742680767 0.576980133492} Si1 2 1
14 {} {0.597306064688 0.320672861749 0.448420038734} Si2 3 1
8 {} {0.554538303174 0.472116391566 0.411482432514} O2 4 1
8 {} {0.323728640996 0.352973909281 0.677280424426} O3 5 1
14 {} {0.294552633815 0.514500567911 0.671661320388} Si3 6 1
14 {} {0.495585660492 0.620875983234 0.445530597387} Si4 7 1
1 {} {0.327573244169 0.0988274576146 0.657868994609} H1 8 1
1 {} {0.21481537578 0.228331858369 0.483817319024} H2 9 1
1 {} {0.652909754408 0.26528122427 0.323115058928} H3 10 1
1 {} {0.69613278587 0.32328666791 0.560624682221} H4 11 1
1 {} {0.147659282639 0.53920411001 0.669101610407} H5 12 1
1 {} {0.359841142755 0.575754491648 0.790673003976} H6 13 1
1 {} {0.372803917135 0.801869985131 0.454236634363} H7 14 1
1 {} {0.495472043493 0.679550208348 0.307267735276} H8 15 1
1 {} {0.590637681919 0.697768366532 0.53050788073} H10 16 1
8 {} {0.356741179778 0.580932542101 0.53371297152} O 17 1
1 {} {0.329148726349 0.751841814519 0.497404758838} 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