./iterations/neb0_image01_iter73.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 {} {0.467852519158 0.240882364035 0.472823001665} O1 1 1
14 {} {0.3283770921 0.24900422491 0.559455827363} Si1 2 1
14 {} {0.598534134761 0.331470407599 0.430403142817} Si2 3 1
8 {} {0.551629484414 0.475206912239 0.367612288414} O2 4 1
8 {} {0.331671709145 0.379530164689 0.65878250572} O3 5 1
14 {} {0.264066576374 0.515447404579 0.722447021018} Si3 6 1
14 {} {0.530303311445 0.638144736709 0.374155699359} Si4 7 1
1 {} {0.319504116751 0.125913328692 0.642385724096} H1 8 1
1 {} {0.21324570571 0.259992217019 0.465724101618} H2 9 1
1 {} {0.671299169336 0.256775385381 0.324545244923} H3 10 1
1 {} {0.682370617771 0.356291518936 0.551260055334} H4 11 1
1 {} {0.119937477495 0.489538538063 0.746458083812} H5 12 1
1 {} {0.340331653786 0.546350744901 0.846694937746} H6 13 1
1 {} {0.387582491788 0.670118246203 0.344938471453} H7 14 1
1 {} {0.61944657472 0.702805099672 0.274034187873} H8 15 1
1 {} {0.566185295494 0.690740773229 0.509999995258} H10 16 1
8 {} {0.268535985274 0.64405594338 0.619295719182} O 17 1
1 {} {0.349212229464 0.700249930977 0.620041988642} 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