iterations/neb0_image07_iter30.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 {} {0.469605366865 0.224096481627 0.483645707142} O1 1 1
14 {} {0.332914746199 0.228753528506 0.573809120745} Si1 2 1
14 {} {0.598968098703 0.315852377453 0.439643316687} Si2 3 1
8 {} {0.546848733067 0.464090568417 0.398560456996} O2 4 1
8 {} {0.331903994659 0.362586324233 0.669440855067} O3 5 1
14 {} {0.294633820094 0.520644810227 0.678474459662} Si3 6 1
14 {} {0.500109412575 0.613254778452 0.449069077367} Si4 7 1
1 {} {0.330938426713 0.109557097767 0.662766305975} H1 8 1
1 {} {0.216013661781 0.231618953747 0.481091022374} H2 9 1
1 {} {0.665186093935 0.241268842717 0.327573049876} H3 10 1
1 {} {0.694862778174 0.326817108614 0.554064841255} H4 11 1
1 {} {0.146407070134 0.524298391607 0.692389896773} H5 12 1
1 {} {0.342267867728 0.561032221143 0.812202292632} H6 13 1
1 {} {0.340686710949 0.807129521559 0.418011062032} H7 14 1
1 {} {0.506784447795 0.679622176115 0.317291245199} H8 15 1
1 {} {0.596328719433 0.678623672576 0.536340271934} H10 16 1
8 {} {0.365689959549 0.591335870247 0.547325270243} O 17 1
1 {} {0.329936244295 0.791935240538 0.48935974462} 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