./iterations/neb0_image02_iter148.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.464907162249 0.248025815388 0.487768613177} O1 1 1
14 {} {0.328724393259 0.240198972592 0.579338716692} Si1 2 1
14 {} {0.587272183323 0.340630302574 0.430247072709} Si2 3 1
8 {} {0.529478658162 0.482657896551 0.371460232933} O2 4 1
8 {} {0.321943070899 0.364806530731 0.686125202727} O3 5 1
14 {} {0.253227517448 0.510193868094 0.723764964486} Si3 6 1
14 {} {0.547674097744 0.646649672416 0.365693121046} Si4 7 1
1 {} {0.334741992425 0.112313279673 0.656028819548} H1 8 1
1 {} {0.210760638934 0.243755945071 0.487198727802} H2 9 1
1 {} {0.651907183656 0.266110336216 0.320109989746} H3 10 1
1 {} {0.684167512646 0.370021315804 0.538884280546} H4 11 1
1 {} {0.106688698431 0.492086779883 0.74161019685} H5 12 1
1 {} {0.322734849959 0.556442822707 0.84608277087} H6 13 1
1 {} {0.415891326618 0.705355409803 0.328236437577} H7 14 1
1 {} {0.652045828544 0.684667888209 0.265542137577} H8 15 1
1 {} {0.58680378508 0.701355715874 0.500131492744} H10 16 1
8 {} {0.270401794099 0.620836894831 0.601110097542} O 17 1
1 {} {0.340715398987 0.68640849161 0.601725255247} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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