iterations/neb0_image03_iter26.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.469934180582 0.232265552917 0.479533301392} O1 1 1
14 {} {0.331670228445 0.241059451384 0.568072970845} Si1 2 1
14 {} {0.595060920991 0.330060461801 0.433624646278} Si2 3 1
8 {} {0.539039505586 0.477792966637 0.383540627516} O2 4 1
8 {} {0.332586471023 0.37590886193 0.659580980192} O3 5 1
14 {} {0.273810476512 0.521879239852 0.709942439711} Si3 6 1
14 {} {0.520620302849 0.642869112103 0.389618049204} Si4 7 1
1 {} {0.326232468403 0.118973657629 0.655077011017} H1 8 1
1 {} {0.214923791206 0.242440458988 0.474813395174} H2 9 1
1 {} {0.666373772088 0.247422135711 0.329059356117} H3 10 1
1 {} {0.689382285032 0.337132227085 0.551794216749} H4 11 1
1 {} {0.128125906035 0.508515988106 0.719492076282} H5 12 1
1 {} {0.341183058427 0.551002909717 0.837060273784} H6 13 1
1 {} {0.388813262553 0.710151912319 0.375959832217} H7 14 1
1 {} {0.589516374597 0.696519200331 0.270047244841} H8 15 1
1 {} {0.574281227943 0.68151875388 0.520180699199} H10 16 1
8 {} {0.310688587389 0.631157143586 0.586608838618} O 17 1
1 {} {0.317843308145 0.725847935422 0.587052030741} 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