iterations/neb0_image05_iter286.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.470118082714 0.278919272531 0.492983618559} O1 1 1
14 {} {0.326383368823 0.236454828092 0.557649374081} Si1 2 1
14 {} {0.616149600543 0.349070881699 0.474414095532} Si2 3 1
8 {} {0.611247475561 0.503324403706 0.527815877054} O2 4 1
8 {} {0.247757543199 0.364990662332 0.622574483063} O3 5 1
14 {} {0.230125528909 0.526744875369 0.649471234275} Si3 6 1
14 {} {0.580284253615 0.654153738105 0.466144345718} Si4 7 1
1 {} {0.344597285651 0.140964048399 0.669770222615} H1 8 1
1 {} {0.243682654729 0.178274671995 0.447139371938} H2 9 1
1 {} {0.64658524058 0.349622216026 0.329107095385} H3 10 1
1 {} {0.714203205311 0.275580382295 0.557751786091} H4 11 1
1 {} {0.124887830715 0.553454854287 0.748831367636} H5 12 1
1 {} {0.363480279767 0.567468428748 0.705134846301} H6 13 1
1 {} {0.545805694296 0.74753114876 0.57719127102} H7 14 1
1 {} {0.46512787848 0.647173460794 0.372381217386} H8 15 1
1 {} {0.697207442632 0.701767066333 0.389831113654} H10 16 1
8 {} {0.178874544739 0.61116968044 0.516653976163} O 17 1
1 {} {0.203568164809 0.585853540874 0.426212941316} 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