iterations/neb0_image07_iter43.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.469535478134 0.221030361897 0.482770606972} O1 1 1
14 {} {0.332514948583 0.225993835177 0.571137885255} Si1 2 1
14 {} {0.598815073241 0.313124998605 0.442151948667} Si2 3 1
8 {} {0.547755394797 0.462020437839 0.400174724728} O2 4 1
8 {} {0.333550237529 0.357125674664 0.670783458858} O3 5 1
14 {} {0.297005534393 0.515280099591 0.679524162695} Si3 6 1
14 {} {0.500920801082 0.61058954111 0.453754106249} Si4 7 1
1 {} {0.329271855811 0.109105701398 0.65968992371} H1 8 1
1 {} {0.215912733561 0.233794663085 0.4802361852} H2 9 1
1 {} {0.66338338011 0.249177119669 0.326647543121} H3 10 1
1 {} {0.693361201866 0.329689132223 0.554532113079} H4 11 1
1 {} {0.148568227983 0.532776491463 0.682842039478} H5 12 1
1 {} {0.348828741137 0.568528438886 0.809063241037} H6 13 1
1 {} {0.343708091304 0.808336891764 0.416959163429} H7 14 1
1 {} {0.491873381124 0.683018860958 0.323108018364} H8 15 1
1 {} {0.600938463435 0.681638627653 0.542087207092} H10 16 1
8 {} {0.364306780365 0.589892250004 0.549378521033} O 17 1
1 {} {0.329835826896 0.781394837978 0.486217134592} 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