./iterations/neb0_image08_iter114.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 {} {0.471253864363 0.220948609162 0.489552987197} O1 1 1
14 {} {0.332147617166 0.220751227076 0.577241890323} Si1 2 1
14 {} {0.604241846555 0.306304913769 0.445203134365} Si2 3 1
8 {} {0.564348293911 0.459476375804 0.402631206386} O2 4 1
8 {} {0.32648298969 0.35102020523 0.677853900868} O3 5 1
14 {} {0.299664166757 0.513081107825 0.675955192794} Si3 6 1
14 {} {0.506590668608 0.604153985932 0.453719724446} Si4 7 1
1 {} {0.328656031617 0.098370367876 0.661473277364} H1 8 1
1 {} {0.216931371487 0.227508054877 0.483058825865} H2 9 1
1 {} {0.662782253318 0.24079910126 0.326025712136} H3 10 1
1 {} {0.699137694122 0.313537523754 0.559507670035} H4 11 1
1 {} {0.153884958275 0.539327250762 0.665885091688} H5 12 1
1 {} {0.356624226141 0.569197474544 0.801110921988} H6 13 1
1 {} {0.332554139987 0.855919526596 0.422850130776} H7 14 1
1 {} {0.473837914298 0.680965873739 0.331368916848} H8 15 1
1 {} {0.609122425894 0.674405930349 0.535899173558} H10 16 1
8 {} {0.372205509534 0.580659832103 0.544750535794} O 17 1
1 {} {0.299620195516 0.816090621027 0.476969649482} 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