./iterations/neb0_image05_iter164.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.474735871325 0.233570016123 0.486604337269} O1 1 1
14 {} {0.330942318763 0.227354569642 0.565209390492} Si1 2 1
14 {} {0.595189455687 0.341355930459 0.460934280644} Si2 3 1
8 {} {0.537478494115 0.49449012303 0.479902547907} O2 4 1
8 {} {0.300397433905 0.361924881626 0.651241691246} O3 5 1
14 {} {0.257568070984 0.520291575534 0.665226607398} Si3 6 1
14 {} {0.549027930991 0.65300923887 0.435238949888} Si4 7 1
1 {} {0.337362028727 0.11630577647 0.662486578393} H1 8 1
1 {} {0.225263847228 0.203721177069 0.462528786271} H2 9 1
1 {} {0.648548396285 0.320403196742 0.322430207066} H3 10 1
1 {} {0.701040983295 0.31499657983 0.561763384084} H4 11 1
1 {} {0.133949246583 0.528031959691 0.745870470708} H5 12 1
1 {} {0.367101899657 0.589102262944 0.736740167086} H6 13 1
1 {} {0.450865867469 0.734217039727 0.513419770736} H7 14 1
1 {} {0.516829040966 0.663656624417 0.292555834409} H8 15 1
1 {} {0.686481792021 0.705841413896 0.471605373559} H10 16 1
8 {} {0.229879297472 0.587860583346 0.515233821287} O 17 1
1 {} {0.267424040941 0.676384981016 0.502065921646} 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