iterations/neb0_image04_iter34.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.470538133662 0.22963195555 0.483133556068} O1 1 1
14 {} {0.332901833864 0.23600145511 0.57196131057} Si1 2 1
14 {} {0.590685410274 0.331482392927 0.436610030633} Si2 3 1
8 {} {0.528787950179 0.478057672603 0.397559840522} O2 4 1
8 {} {0.333574833386 0.37379465314 0.657389810261} O3 5 1
14 {} {0.278625143527 0.524085218078 0.697415328168} Si3 6 1
14 {} {0.515179426525 0.644390211075 0.403229646189} Si4 7 1
1 {} {0.330524244927 0.118868611919 0.66244493026} H1 8 1
1 {} {0.216001234264 0.233496537331 0.481998351935} H2 9 1
1 {} {0.659952733689 0.252462634175 0.328961541466} H3 10 1
1 {} {0.689403994512 0.333900360557 0.549189296278} H4 11 1
1 {} {0.129882485876 0.522098066874 0.70470367107} H5 12 1
1 {} {0.340416551982 0.561850868991 0.827784120226} H6 13 1
1 {} {0.391981030858 0.73057507474 0.40271180225} H7 14 1
1 {} {0.568568478165 0.68814177464 0.272306249477} H8 15 1
1 {} {0.58645611666 0.683152789525 0.526871635958} H10 16 1
8 {} {0.331871529139 0.621328286217 0.577469363209} O 17 1
1 {} {0.314734998211 0.709199399141 0.549317528298} 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