./iterations/neb0_image02_iter108.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.467576076708 0.238417183 0.479442850884} O1 1 1
14 {} {0.329458687889 0.242703422986 0.568170041988} Si1 2 1
14 {} {0.593473073226 0.333147611641 0.43212708726} Si2 3 1
8 {} {0.539243698033 0.476637060541 0.374122313381} O2 4 1
8 {} {0.329860030251 0.373662086479 0.66711157767} O3 5 1
14 {} {0.263579342347 0.515934976089 0.716400721588} Si3 6 1
14 {} {0.533310147366 0.641079315287 0.376155951906} Si4 7 1
1 {} {0.326083076626 0.119834596285 0.651819554791} H1 8 1
1 {} {0.213230974176 0.247967396316 0.475162844088} H2 9 1
1 {} {0.662160957983 0.26111958178 0.321976906045} H3 10 1
1 {} {0.684479940048 0.35653838948 0.54836096971} H4 11 1
1 {} {0.118183079654 0.49605038787 0.737772213712} H5 12 1
1 {} {0.335782293994 0.557865617475 0.839737704918} H6 13 1
1 {} {0.394543404265 0.687688260708 0.351029415654} H7 14 1
1 {} {0.623557286665 0.694762391778 0.270431833474} H8 15 1
1 {} {0.578851129288 0.69201794959 0.509540165108} H10 16 1
8 {} {0.277036450195 0.632380491318 0.599415172817} O 17 1
1 {} {0.339676459551 0.704711268621 0.612280686232} 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