iterations/neb0_image08_iter224.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.472056820182 0.225265616191 0.493205207358} O1 1 1
14 {} {0.330741166919 0.218770329707 0.576594817979} Si1 2 1
14 {} {0.613673567207 0.296984756179 0.45136294334} Si2 3 1
8 {} {0.593077569625 0.456650179351 0.417798663765} O2 4 1
8 {} {0.313059062934 0.349037756463 0.676284075601} O3 5 1
14 {} {0.30035076492 0.513382488966 0.669078106149} Si3 6 1
14 {} {0.511870428977 0.596349582745 0.448397797729} Si4 7 1
1 {} {0.331833664386 0.0970016065893 0.661516071961} H1 8 1
1 {} {0.219317435609 0.215891615608 0.477898767652} H2 9 1
1 {} {0.663282642547 0.230171361683 0.328231878229} H3 10 1
1 {} {0.710302031815 0.284482200598 0.564545970658} H4 11 1
1 {} {0.157363653118 0.553092318979 0.659243703613} H5 12 1
1 {} {0.365913265019 0.568528180648 0.790999756644} H6 13 1
1 {} {0.310906877952 0.909598023289 0.47478764748} H7 14 1
1 {} {0.471937299955 0.653531336154 0.317051163888} H8 15 1
1 {} {0.599783494961 0.686726925058 0.527411027101} H10 16 1
8 {} {0.374502345271 0.570099482338 0.533888029226} O 17 1
1 {} {0.270114172285 0.846954107744 0.462762091176} 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
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 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 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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