iterations/neb0_image02_iter57.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.468075600292 0.236054480981 0.47523572742} O1 1 1
14 {} {0.329435110456 0.244627250355 0.563146003464} Si1 2 1
14 {} {0.595914735783 0.330771947405 0.431990325321} Si2 3 1
8 {} {0.544409693081 0.474697392024 0.374169329783} O2 4 1
8 {} {0.333226823363 0.376544650011 0.660854702478} O3 5 1
14 {} {0.267150063551 0.51695925365 0.715351391208} Si3 6 1
14 {} {0.528054840929 0.638440187391 0.380257306358} Si4 7 1
1 {} {0.322919463249 0.122646443672 0.648672684649} H1 8 1
1 {} {0.212851148534 0.252550162705 0.469934031329} H2 9 1
1 {} {0.666730714678 0.259614782583 0.322625908962} H3 10 1
1 {} {0.683324643688 0.354123254661 0.550668616533} H4 11 1
1 {} {0.121302364271 0.497889901221 0.737292695569} H5 12 1
1 {} {0.340734883639 0.554109923379 0.839166631587} H6 13 1
1 {} {0.387142082547 0.676837288129 0.357852412758} H7 14 1
1 {} {0.613868675596 0.698515987027 0.27441165681} H8 15 1
1 {} {0.575261876181 0.690608804806 0.512757823811} H10 16 1
8 {} {0.281168531176 0.6351140782 0.601012099897} O 17 1
1 {} {0.33851488575 0.712412166315 0.615658641583} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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