iterations/neb0_image01_iter182.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 {} {0.464687810922 0.254452801449 0.477088433423} O1 1 1
14 {} {0.327268020142 0.251317842227 0.566647526815} Si1 2 1
14 {} {0.598059836743 0.336073895831 0.426946906571} Si2 3 1
8 {} {0.556716434996 0.476676857298 0.352714937693} O2 4 1
8 {} {0.325350696663 0.376420032705 0.672220889494} O3 5 1
14 {} {0.255900716405 0.513388672116 0.733048160368} Si3 6 1
14 {} {0.537711043464 0.63989718706 0.362546066012} Si4 7 1
1 {} {0.326731587181 0.124242152606 0.644260875037} H1 8 1
1 {} {0.210286012241 0.259627909077 0.474175499658} H2 9 1
1 {} {0.666931082159 0.25028085877 0.327172216434} H3 10 1
1 {} {0.684180530574 0.367059838869 0.544831391979} H4 11 1
1 {} {0.109565210111 0.493963691672 0.751060156854} H5 12 1
1 {} {0.326761192369 0.540720649686 0.861148690184} H6 13 1
1 {} {0.400023949472 0.677139285332 0.318938209832} H7 14 1
1 {} {0.638761686276 0.707280268299 0.276265293888} H8 15 1
1 {} {0.557225271476 0.685368017782 0.50441869329} H10 16 1
8 {} {0.268103913972 0.640735731324 0.62849371615} O 17 1
1 {} {0.355820934954 0.677872154137 0.609080238234} 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