iterations/neb0_image05_iter84.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.471105368757 0.224565846499 0.488298379136} O1 1 1
14 {} {0.332524804168 0.223860649763 0.575499002707} Si1 2 1
14 {} {0.589298503641 0.332116671729 0.44429139219} Si2 3 1
8 {} {0.529828947619 0.480886829573 0.419720031648} O2 4 1
8 {} {0.32702690202 0.357140382367 0.675370416417} O3 5 1
14 {} {0.288213238301 0.514993188918 0.683307521985} Si3 6 1
14 {} {0.502525743714 0.646952201774 0.428371840026} Si4 7 1
1 {} {0.326308663263 0.101864966696 0.661789645119} H1 8 1
1 {} {0.215106908364 0.23224373833 0.483616144044} H2 9 1
1 {} {0.651185379112 0.279284990832 0.319853201846} H3 10 1
1 {} {0.686361318612 0.334350820209 0.556870299959} H4 11 1
1 {} {0.141861543857 0.540958673501 0.673742663327} H5 12 1
1 {} {0.355652455381 0.573792813012 0.802007764889} H6 13 1
1 {} {0.398333636574 0.771113320825 0.435296217447} H7 14 1
1 {} {0.533391428967 0.674763302584 0.284966570579} H8 15 1
1 {} {0.598072720346 0.695806052251 0.52961377274} H10 16 1
8 {} {0.344997932735 0.596191335471 0.544653476955} O 17 1
1 {} {0.318290605523 0.691632154593 0.523789646063} 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