iterations/neb0_image06_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_image06

@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 {} {0.469582735227 0.219839846569 0.482737855391} O1 1 1
14 {} {0.331379411954 0.227547426383 0.57253022543} Si1 2 1
14 {} {0.594622163526 0.319270809439 0.442840789731} Si2 3 1
8 {} {0.538616935911 0.468015835482 0.405246051399} O2 4 1
8 {} {0.332166371258 0.358225310608 0.672030019874} O3 5 1
14 {} {0.294314650338 0.518008433238 0.683888437478} Si3 6 1
14 {} {0.497483944602 0.620105724184 0.451361176123} Si4 7 1
1 {} {0.329484366016 0.109934895534 0.66302927887} H1 8 1
1 {} {0.213403630959 0.233037173015 0.479664689023} H2 9 1
1 {} {0.658091024807 0.261698067596 0.322616752361} H3 10 1
1 {} {0.691303413163 0.334930581866 0.5553718578} H4 11 1
1 {} {0.145898078532 0.537864875453 0.679944023334} H5 12 1
1 {} {0.348610550045 0.571402794592 0.812369541705} H6 13 1
1 {} {0.367726662357 0.785250049098 0.424586955102} H7 14 1
1 {} {0.504272112849 0.682902356155 0.314974969898} H8 15 1
1 {} {0.599335754019 0.689501815962 0.536725183042} H10 16 1
8 {} {0.366005216488 0.592894073028 0.554786609459} O 17 1
1 {} {0.327789099383 0.74208788401 0.4763535675} 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