./iterations/neb0_image07_iter198.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.473923568113 0.232199703168 0.495811623225} O1 1 1
14 {} {0.333378894279 0.217872775776 0.581086109403} Si1 2 1
14 {} {0.615538391378 0.301611126238 0.451541699133} Si2 3 1
8 {} {0.598537711285 0.462621255848 0.42238862536} O2 4 1
8 {} {0.306703259599 0.348972295538 0.678206356696} O3 5 1
14 {} {0.290652507937 0.510226352005 0.653186006698} Si3 6 1
14 {} {0.495415724568 0.590083689532 0.435129951898} Si4 7 1
1 {} {0.344697688075 0.0982093460383 0.66792212779} H1 8 1
1 {} {0.221477444999 0.208181982482 0.482616684142} H2 9 1
1 {} {0.661529999693 0.235163229224 0.326477419178} H3 10 1
1 {} {0.713476819179 0.287843227098 0.562694732349} H4 11 1
1 {} {0.147449910931 0.550240445545 0.651147655698} H5 12 1
1 {} {0.368194545703 0.58032368707 0.759547754737} H6 13 1
1 {} {0.344323786188 0.914896694284 0.501577251987} H7 14 1
1 {} {0.469730111528 0.638153228816 0.296040231853} H8 15 1
1 {} {0.558402022985 0.69268687788 0.523466666358} H10 16 1
8 {} {0.352367119296 0.546691262361 0.503246535634} O 17 1
1 {} {0.314286427983 0.856540638328 0.538970370964} 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