./iterations/neb0_image03_iter247.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 {} {0.456017017369 0.267511089249 0.488985978793} O1 1 1
14 {} {0.323422645794 0.239655372037 0.581230655151} Si1 2 1
14 {} {0.584217521291 0.350147984799 0.429813039055} Si2 3 1
8 {} {0.535710796775 0.494289278833 0.368131402054} O2 4 1
8 {} {0.303647203264 0.353028759051 0.696951621485} O3 5 1
14 {} {0.254634241387 0.504634481439 0.738476532888} Si3 6 1
14 {} {0.564829929762 0.656976052165 0.361901586033} Si4 7 1
1 {} {0.341179343351 0.108945183389 0.648735929345} H1 8 1
1 {} {0.206389019448 0.239454725788 0.489315567172} H2 9 1
1 {} {0.643733982395 0.268951705759 0.319487774036} H3 10 1
1 {} {0.683281929437 0.375232575465 0.539451264821} H4 11 1
1 {} {0.106053120782 0.506127049764 0.741854319756} H5 12 1
1 {} {0.316939759008 0.537796979612 0.86863324218} H6 13 1
1 {} {0.434486913807 0.724003971292 0.330311844106} H7 14 1
1 {} {0.664221211528 0.686045423527 0.254720604707} H8 15 1
1 {} {0.619653870858 0.707272261981 0.491365777271} H10 16 1
8 {} {0.309122559628 0.620355516992 0.632511553204} O 17 1
1 {} {0.26254510318 0.632089655179 0.549178935508} 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