iterations/neb0_image07_iter151.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 {} {0.471176028032 0.2398305803 0.492559979123} O1 1 1
14 {} {0.332602480207 0.221796976923 0.576687437431} Si1 2 1
14 {} {0.614882371245 0.30668070507 0.451110521313} Si2 3 1
8 {} {0.597978206258 0.469208192657 0.419418059114} O2 4 1
8 {} {0.309956131023 0.349530132157 0.68052923844} O3 5 1
14 {} {0.292721365677 0.511959796804 0.65829067667} Si3 6 1
14 {} {0.496746402019 0.596425414502 0.440978236812} Si4 7 1
1 {} {0.338283823768 0.0990401781661 0.660829733332} H1 8 1
1 {} {0.219555884801 0.215636700133 0.479850957084} H2 9 1
1 {} {0.662724072865 0.235418089757 0.330927260037} H3 10 1
1 {} {0.710355072092 0.285793419432 0.562197669806} H4 11 1
1 {} {0.146975671678 0.548006607785 0.657623253764} H5 12 1
1 {} {0.370384387534 0.586643044582 0.761917013844} H6 13 1
1 {} {0.349507919957 0.880217470806 0.482853517094} H7 14 1
1 {} {0.449116707972 0.662065940803 0.316574861021} H8 15 1
1 {} {0.573462619542 0.691787750505 0.528388152191} H10 16 1
8 {} {0.355392634023 0.550390774105 0.512024583856} O 17 1
1 {} {0.318264228261 0.822086050643 0.51829670901} 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