iterations/neb0_image09_iter159.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.471579697448 0.217155369496 0.494299586954} O1 1 1
14 {} {0.333875426737 0.215377060373 0.582995628487} Si1 2 1
14 {} {0.605297112838 0.298982250854 0.44447899296} Si2 3 1
8 {} {0.56691894385 0.452493631211 0.400198567932} O2 4 1
8 {} {0.324018636215 0.349898186453 0.678024685989} O3 5 1
14 {} {0.299037900607 0.512282553594 0.672807486151} Si3 6 1
14 {} {0.509411164387 0.59808250553 0.451733023774} Si4 7 1
1 {} {0.336161093727 0.0966575153947 0.671908627715} H1 8 1
1 {} {0.218573148715 0.213071420531 0.489067901295} H2 9 1
1 {} {0.659592031483 0.229119759872 0.325276337331} H3 10 1
1 {} {0.704229742429 0.302822406232 0.556260285026} H4 11 1
1 {} {0.153722957395 0.540607082473 0.657825152756} H5 12 1
1 {} {0.355093794685 0.569073058045 0.79848234983} H6 13 1
1 {} {0.319956008529 0.900270042521 0.423215957222} H7 14 1
1 {} {0.473188573332 0.677908735291 0.331784116224} H8 15 1
1 {} {0.614308115913 0.664719253488 0.5342193211} H10 16 1
8 {} {0.373736082388 0.578935249623 0.542488733379} O 17 1
1 {} {0.291385686807 0.855061838987 0.475991008452} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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