./iterations/neb0_image09_iter70.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 {} {0.472457907174 0.212943574922 0.494676826853} O1 1 1
14 {} {0.336153698365 0.216380818729 0.586556540612} Si1 2 1
14 {} {0.603044719982 0.298861243372 0.445082622607} Si2 3 1
8 {} {0.559780493656 0.451687493608 0.402082214569} O2 4 1
8 {} {0.328931791108 0.354858635049 0.67465663982} O3 5 1
14 {} {0.296542610548 0.516242015466 0.669468250422} Si3 6 1
14 {} {0.506551276964 0.599022001344 0.451201861073} Si4 7 1
1 {} {0.34005577619 0.102485492696 0.681503921219} H1 8 1
1 {} {0.21842252712 0.2090652777 0.496022953102} H2 9 1
1 {} {0.658850287667 0.232193099051 0.324805653127} H3 10 1
1 {} {0.701805793088 0.306435561834 0.556504911356} H4 11 1
1 {} {0.150308716314 0.538209416578 0.655486730567} H5 12 1
1 {} {0.351302636463 0.5766285711 0.793797988466} H6 13 1
1 {} {0.323518363187 0.877958667099 0.413595398237} H7 14 1
1 {} {0.475905549132 0.678405063303 0.329479818889} H8 15 1
1 {} {0.610830398983 0.663668206452 0.536036248816} H10 16 1
8 {} {0.36836713265 0.585257554892 0.538244332045} O 17 1
1 {} {0.307256487591 0.852215246939 0.481855067136} 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