./iterations/neb0_image01_iter50.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.467677519401 0.240585894482 0.472351373623} O1 1 1
14 {} {0.32833978677 0.248929900929 0.559005322858} Si1 2 1
14 {} {0.598206013462 0.331269160575 0.43109018002} Si2 3 1
8 {} {0.551387657102 0.475346915062 0.368523606108} O2 4 1
8 {} {0.333908012157 0.37984031459 0.658231226939} O3 5 1
14 {} {0.26541571627 0.514804839946 0.722730379382} Si3 6 1
14 {} {0.530032973778 0.63824541042 0.374215086173} Si4 7 1
1 {} {0.319225536771 0.12522614318 0.641034532126} H1 8 1
1 {} {0.213532585167 0.26019353095 0.464865178836} H2 9 1
1 {} {0.671278458126 0.256107807397 0.326175302024} H3 10 1
1 {} {0.683039507878 0.354802902891 0.551366377382} H4 11 1
1 {} {0.12040170788 0.491704703788 0.745696174712} H5 12 1
1 {} {0.34134084622 0.5433204522 0.847553056848} H6 13 1
1 {} {0.387621176115 0.670798001588 0.345819988794} H7 14 1
1 {} {0.617887060371 0.703240388695 0.27301018963} H8 15 1
1 {} {0.564822349124 0.690190394193 0.510368725088} H10 16 1
8 {} {0.269917795452 0.643756777742 0.619774633552} O 17 1
1 {} {0.346051446876 0.704154416031 0.619246649716} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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