iterations/neb0_image08_iter229.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471995133015 0.225341055864 0.493188784272} O1 1 1
14 {} {0.330746800114 0.218883270546 0.576595472892} Si1 2 1
14 {} {0.613550556748 0.297182281311 0.451266210189} Si2 3 1
8 {} {0.592664802914 0.456697887869 0.417540334845} O2 4 1
8 {} {0.313205477303 0.349040214305 0.676407500422} O3 5 1
14 {} {0.300394519864 0.513300554998 0.669188511268} Si3 6 1
14 {} {0.511868931672 0.596522900029 0.448427224623} Si4 7 1
1 {} {0.331771138332 0.0970620481018 0.661411123183} H1 8 1
1 {} {0.219271639367 0.216153743453 0.477972590445} H2 9 1
1 {} {0.663251448693 0.230225176325 0.328309514955} H3 10 1
1 {} {0.710148450326 0.28490886785 0.564439148327} H4 11 1
1 {} {0.15736744311 0.552851605471 0.659382157846} H5 12 1
1 {} {0.365725672076 0.568499275032 0.79118316392} H6 13 1
1 {} {0.311314237457 0.908778722145 0.474164053428} H7 14 1
1 {} {0.471847311217 0.654097163343 0.317508197907} H8 15 1
1 {} {0.600027703876 0.686567953073 0.527463911296} H10 16 1
8 {} {0.374597892075 0.570151117793 0.534080215335} O 17 1
1 {} {0.270337104381 0.846254031538 0.462529609215} 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