./iterations/neb0_image05_iter16.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.46955817503 0.227245134267 0.482787917783} O1 1 1
14 {} {0.331429380113 0.232386958914 0.573312867485} Si1 2 1
14 {} {0.602224309577 0.312977292095 0.438901547203} Si2 3 1
8 {} {0.553806907437 0.466095237777 0.385800874145} O2 4 1
8 {} {0.332425724091 0.365568823578 0.667012202901} O3 5 1
14 {} {0.28026780725 0.524841797241 0.695125326487} Si3 6 1
14 {} {0.509806965397 0.627097984345 0.414902443561} Si4 7 1
1 {} {0.33062614131 0.112816649628 0.663181662433} H1 8 1
1 {} {0.214724675371 0.233709520962 0.478711924405} H2 9 1
1 {} {0.66700338276 0.237767674232 0.326867729081} H3 10 1
1 {} {0.695351425514 0.327969357479 0.555386782985} H4 11 1
1 {} {0.127661640834 0.510939288834 0.707347533431} H5 12 1
1 {} {0.342915454637 0.553076216484 0.831730379731} H6 13 1
1 {} {0.355349317697 0.786346851307 0.397536048013} H7 14 1
1 {} {0.550249512745 0.690053010474 0.284083828727} H8 15 1
1 {} {0.588678934613 0.678801145445 0.53067163381} H10 16 1
8 {} {0.331844645234 0.638337785397 0.56955975411} O 17 1
1 {} {0.326161744443 0.746487228205 0.52813753983} 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