iterations/neb0_image04_iter209.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 {} {0.465350068019 0.256045931218 0.487873455034} O1 1 1
14 {} {0.325523015144 0.229175331945 0.569825759368} Si1 2 1
14 {} {0.593202385255 0.348666859317 0.444792643593} Si2 3 1
8 {} {0.548491465505 0.502478900349 0.419650534004} O2 4 1
8 {} {0.291050741553 0.348867781645 0.676725200864} O3 5 1
14 {} {0.249202792271 0.505725025977 0.704645183621} Si3 6 1
14 {} {0.569355697836 0.66414893954 0.399651408843} Si4 7 1
1 {} {0.341751509953 0.103982377593 0.648935199645} H1 8 1
1 {} {0.216530216989 0.216934992356 0.469009339838} H2 9 1
1 {} {0.647520523855 0.291191486954 0.319044829861} H3 10 1
1 {} {0.695948910733 0.344822015061 0.55272321576} H4 11 1
1 {} {0.105925855121 0.515851209828 0.749096470746} H5 12 1
1 {} {0.343433942611 0.557171192611 0.808322541386} H6 13 1
1 {} {0.440392258077 0.732346405082 0.424488198291} H7 14 1
1 {} {0.612170988647 0.691409160497 0.260170757615} H8 15 1
1 {} {0.675071680467 0.713597913158 0.492989808244} H10 16 1
8 {} {0.270409439405 0.5854330891 0.560361093261} O 17 1
1 {} {0.218754519156 0.664669248429 0.54275250719} 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