iterations/neb0_image04_iter134.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.466236391811 0.23994807873 0.488122313936} O1 1 1
14 {} {0.327538051016 0.228393728694 0.575019890375} Si1 2 1
14 {} {0.586631248496 0.341774283794 0.44075967054} Si2 3 1
8 {} {0.525559657271 0.490863368404 0.407847671726} O2 4 1
8 {} {0.314807121283 0.353723814102 0.680753262338} O3 5 1
14 {} {0.274846042795 0.511692389104 0.701191852644} Si3 6 1
14 {} {0.535471040405 0.654929740591 0.402268500688} Si4 7 1
1 {} {0.331398884708 0.102756895325 0.655709694657} H1 8 1
1 {} {0.210060759756 0.229281886206 0.482633604189} H2 9 1
1 {} {0.645170904576 0.280347248737 0.318725073152} H3 10 1
1 {} {0.686255573438 0.353842653391 0.550538068791} H4 11 1
1 {} {0.127160976734 0.527359934552 0.703981053684} H5 12 1
1 {} {0.340529589899 0.557336454806 0.82609122045} H6 13 1
1 {} {0.40877597727 0.735125831445 0.397901840004} H7 14 1
1 {} {0.595350217758 0.68565182221 0.270397977617} H8 15 1
1 {} {0.620015386334 0.703612475293 0.513821277226} H10 16 1
8 {} {0.332760769504 0.60118521194 0.575538965603} O 17 1
1 {} {0.281517474295 0.674692101041 0.539756067887} 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