iterations/neb0_image05_iter96.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 {} {0.471210884549 0.226110260422 0.490224395995} O1 1 1
14 {} {0.331854154798 0.223201642186 0.575159086266} Si1 2 1
14 {} {0.590746835079 0.33271939022 0.446750417208} Si2 3 1
8 {} {0.531847462442 0.482315975844 0.41997017905} O2 4 1
8 {} {0.32617315201 0.356686940085 0.673944196986} O3 5 1
14 {} {0.287509472716 0.514272173831 0.681374054831} Si3 6 1
14 {} {0.501230587801 0.649178704632 0.427943723894} Si4 7 1
1 {} {0.326639390476 0.101194249822 0.659898218603} H1 8 1
1 {} {0.214969053508 0.230547959805 0.48396225919} H2 9 1
1 {} {0.649514593744 0.279260046319 0.321289348401} H3 10 1
1 {} {0.689638885315 0.330300158849 0.558411188357} H4 11 1
1 {} {0.141743509934 0.539643054994 0.674522175454} H5 12 1
1 {} {0.35808252733 0.574709468833 0.796719134595} H6 13 1
1 {} {0.405697220537 0.775206913602 0.434975092699} H7 14 1
1 {} {0.529895269672 0.67484567724 0.28470443722} H8 15 1
1 {} {0.600277476741 0.696779887453 0.528945577219} H10 16 1
8 {} {0.339696762523 0.595193820066 0.543165702944} O 17 1
1 {} {0.313358858397 0.690351608162 0.529098809185} 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