iterations/neb0_image04_iter300.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 {} {0.470618190948 0.260260741175 0.490827326801} O1 1 1
14 {} {0.327162381794 0.232473680054 0.564966716414} Si1 2 1
14 {} {0.604260476651 0.346075728933 0.451806973553} Si2 3 1
8 {} {0.565788556996 0.504543976402 0.444875306031} O2 4 1
8 {} {0.28144013222 0.355637203549 0.663913916269} O3 5 1
14 {} {0.231420973561 0.508414857077 0.693752050076} Si3 6 1
14 {} {0.590652224673 0.662384274795 0.40808046079} Si4 7 1
1 {} {0.343199627116 0.113502541305 0.653115640119} H1 8 1
1 {} {0.226389783613 0.208170412588 0.457493588932} H2 9 1
1 {} {0.651956091634 0.298062235844 0.319223581285} H3 10 1
1 {} {0.706543383584 0.323183221511 0.557232133601} H4 11 1
1 {} {0.111377721298 0.499904675399 0.782808055882} H5 12 1
1 {} {0.341630558135 0.582175063251 0.763102945638} H6 13 1
1 {} {0.477333202372 0.7433982146 0.46046260029} H7 14 1
1 {} {0.599645806312 0.681758972758 0.260242637903} H8 15 1
1 {} {0.71620407413 0.708722105279 0.472090391503} H10 16 1
8 {} {0.192581271585 0.574637155452 0.547063682008} O 17 1
1 {} {0.171881462815 0.669212652292 0.540000369719} 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