iterations/neb0_image03_iter200.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.457934429862 0.264816808628 0.492401802056} O1 1 1
14 {} {0.32423881302 0.236935151553 0.582141647481} Si1 2 1
14 {} {0.582862035149 0.351068325762 0.430815826015} Si2 3 1
8 {} {0.531095535104 0.494487358368 0.370027817308} O2 4 1
8 {} {0.306291707248 0.350313777343 0.700540266161} O3 5 1
14 {} {0.259590775975 0.50400744865 0.734580582825} Si3 6 1
14 {} {0.56254314025 0.656323823564 0.361986758308} Si4 7 1
1 {} {0.339808923615 0.105308887791 0.649154523868} H1 8 1
1 {} {0.206100577499 0.239610358721 0.491158940677} H2 9 1
1 {} {0.640311154121 0.270229854433 0.320059743433} H3 10 1
1 {} {0.683248330892 0.375765294744 0.538087387236} H4 11 1
1 {} {0.109713983123 0.512745258308 0.733522695247} H5 12 1
1 {} {0.317368940928 0.536213159749 0.867807331049} H6 13 1
1 {} {0.435512462696 0.725694528964 0.325014559499} H7 14 1
1 {} {0.663695577871 0.682152027747 0.255591568329} H8 15 1
1 {} {0.611159754997 0.708459840705 0.493331469731} H10 16 1
8 {} {0.320103513831 0.613266510268 0.625842624826} O 17 1
1 {} {0.258506552577 0.645119645659 0.558992203131} 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