./iterations/neb0_image09_iter139.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.47202428628 0.21540194018 0.494339339568} O1 1 1
14 {} {0.334522689706 0.215931403102 0.584062873026} Si1 2 1
14 {} {0.604151203165 0.299325720454 0.444300152956} Si2 3 1
8 {} {0.56434626381 0.452525113209 0.400144527242} O2 4 1
8 {} {0.326010658174 0.351675544585 0.677682564885} O3 5 1
14 {} {0.298115732004 0.513620530819 0.671658560238} Si3 6 1
14 {} {0.508598353163 0.598442617095 0.451934438736} Si4 7 1
1 {} {0.337696278937 0.0987011484181 0.67484809232} H1 8 1
1 {} {0.217729987645 0.21157246467 0.491570120144} H2 9 1
1 {} {0.659134394803 0.229982481471 0.325438456561} H3 10 1
1 {} {0.702750627768 0.306070813016 0.555705995268} H4 11 1
1 {} {0.152532963514 0.53994767108 0.656746399407} H5 12 1
1 {} {0.353272652438 0.572177799719 0.79663718116} H6 13 1
1 {} {0.321486072694 0.890350008404 0.418808291859} H7 14 1
1 {} {0.473952528313 0.677405595971 0.331473586242} H8 15 1
1 {} {0.612876258391 0.66478550177 0.535491226023} H10 16 1
8 {} {0.372212169646 0.58097606484 0.541193350199} O 17 1
1 {} {0.298673016816 0.853625537226 0.479022741336} 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
12 5 0 0
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 0
15 6 0 0
16 6 0 0
4 1 0 0
3 2 0 0
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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