./iterations/neb0_image01_iter250.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.462828865135 0.259293597344 0.479464481902} O1 1 1
14 {} {0.327230261577 0.249425237851 0.571197258968} Si1 2 1
14 {} {0.595806964638 0.338362744736 0.426167731051} Si2 3 1
8 {} {0.555160614065 0.477739678255 0.349687624973} O2 4 1
8 {} {0.321909721016 0.370237144667 0.68208728442} O3 5 1
14 {} {0.253986742923 0.511546194165 0.732958933376} Si3 6 1
14 {} {0.540040504252 0.641317963466 0.358931588956} Si4 7 1
1 {} {0.331479820984 0.120073641098 0.644208751886} H1 8 1
1 {} {0.208712344005 0.258630098649 0.481504849343} H2 9 1
1 {} {0.663224251426 0.251234974504 0.326911816753} H3 10 1
1 {} {0.68282816225 0.371373557672 0.542458494452} H4 11 1
1 {} {0.107186883236 0.49418199864 0.747556054292} H5 12 1
1 {} {0.32163155666 0.546154219413 0.860965404953} H6 13 1
1 {} {0.406484038889 0.680605545358 0.306999684345} H7 14 1
1 {} {0.648831544452 0.706168985587 0.280167015997} H8 15 1
1 {} {0.55286031211 0.686714717136 0.501501428271} H10 16 1
8 {} {0.271446490591 0.63364597044 0.623350167518} O 17 1
1 {} {0.358436823188 0.675811460302 0.614939313565} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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