./iterations/neb0_image02_iter55.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 {} {0.467996802041 0.236058759295 0.475194046454} O1 1 1
14 {} {0.329341151545 0.244699016284 0.563091395052} Si1 2 1
14 {} {0.595818473321 0.330795778776 0.43204079919} Si2 3 1
8 {} {0.544349681703 0.474812822569 0.374146846786} O2 4 1
8 {} {0.333510300612 0.376773700011 0.660751686491} O3 5 1
14 {} {0.267291898669 0.516965935845 0.715200062878} Si3 6 1
14 {} {0.528502471872 0.638531030792 0.380271005998} Si4 7 1
1 {} {0.322907506788 0.122702968014 0.648451890099} H1 8 1
1 {} {0.212917524317 0.252607953152 0.46977938228} H2 9 1
1 {} {0.666814204354 0.259483654508 0.322828907146} H3 10 1
1 {} {0.68346601637 0.353987578841 0.550697459084} H4 11 1
1 {} {0.121341449358 0.49812702206 0.737322459234} H5 12 1
1 {} {0.340789488117 0.553712683849 0.839334761627} H6 13 1
1 {} {0.386971928451 0.676671721471 0.357963903526} H7 14 1
1 {} {0.613646308866 0.698622640456 0.274317504845} H8 15 1
1 {} {0.574847949201 0.690448381584 0.512780385232} H10 16 1
8 {} {0.280927413357 0.634516189908 0.601326379739} O 17 1
1 {} {0.338645571224 0.713000116827 0.615559113756} 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