./iterations/neb0_image05_iter101.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.470533034455 0.226639710429 0.490628811728} O1 1 1
14 {} {0.331372169963 0.223367059307 0.574794632228} Si1 2 1
14 {} {0.590929473517 0.332464127294 0.447843826892} Si2 3 1
8 {} {0.531543110773 0.481695740633 0.421523485239} O2 4 1
8 {} {0.325568939304 0.356341581284 0.673257037179} O3 5 1
14 {} {0.287465079028 0.513511436669 0.680491294245} Si3 6 1
14 {} {0.503925892015 0.650194626785 0.428147381983} Si4 7 1
1 {} {0.327220203442 0.102042627602 0.659205573471} H1 8 1
1 {} {0.214790668183 0.22946670437 0.483604078653} H2 9 1
1 {} {0.649121865763 0.279401291059 0.32126759081} H3 10 1
1 {} {0.691537033559 0.329743634061 0.559129306109} H4 11 1
1 {} {0.141175267615 0.538961061271 0.676270967302} H5 12 1
1 {} {0.358618048065 0.575449913236 0.794960158318} H6 13 1
1 {} {0.407834520118 0.775873867704 0.436027999015} H7 14 1
1 {} {0.527607308149 0.675068343159 0.284098977026} H8 15 1
1 {} {0.602142306674 0.69762978547 0.52901863693} H10 16 1
8 {} {0.338356371655 0.595074017663 0.540277115059} O 17 1
1 {} {0.310344796402 0.689592400313 0.530511128} 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