./iterations/neb0_image01_iter105.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.467201047743 0.24304691249 0.473421064115} O1 1 1
14 {} {0.328024487335 0.249549142582 0.560475452419} Si1 2 1
14 {} {0.598292802527 0.33217315385 0.430202957072} Si2 3 1
8 {} {0.552657968947 0.47564207796 0.365093285596} O2 4 1
8 {} {0.33142953753 0.379909935108 0.660280393774} O3 5 1
14 {} {0.262469155503 0.515133661502 0.724495222937} Si3 6 1
14 {} {0.531494909129 0.638718234193 0.371881339749} Si4 7 1
1 {} {0.320289703266 0.126004749499 0.642925052936} H1 8 1
1 {} {0.213380810543 0.259334286635 0.465772030627} H2 9 1
1 {} {0.67081465495 0.255305641699 0.325996065072} H3 10 1
1 {} {0.683546137046 0.356831423279 0.550254251745} H4 11 1
1 {} {0.117691974279 0.490067132518 0.747923975466} H5 12 1
1 {} {0.338003322008 0.545423831195 0.84938955052} H6 13 1
1 {} {0.389889645957 0.672337603371 0.341370038944} H7 14 1
1 {} {0.621879139493 0.704281644208 0.2729511371} H8 15 1
1 {} {0.564208515196 0.68930586621 0.509457695161} H10 16 1
8 {} {0.26788531176 0.643818757402 0.621640439753} O 17 1
1 {} {0.350927010607 0.695633900134 0.617528044642} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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