./iterations/neb0_image01_iter245.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 {} {0.462760097707 0.258968904464 0.479261302831} O1 1 1
14 {} {0.327183347812 0.249615187601 0.570755351197} Si1 2 1
14 {} {0.59623526779 0.338307391906 0.425999590443} Si2 3 1
8 {} {0.55546815692 0.477680662408 0.349468127426} O2 4 1
8 {} {0.322109867797 0.37088050639 0.681359025926} O3 5 1
14 {} {0.253920195377 0.511932685829 0.733369286913} Si3 6 1
14 {} {0.540182931956 0.641347342771 0.359003913556} Si4 7 1
1 {} {0.331084251671 0.120232685391 0.644478716918} H1 8 1
1 {} {0.208741873691 0.25905968576 0.480331371807} H2 9 1
1 {} {0.663959244467 0.250577695151 0.326988817725} H3 10 1
1 {} {0.683259565732 0.370867094633 0.542860320245} H4 11 1
1 {} {0.106997720681 0.493971975002 0.748350499344} H5 12 1
1 {} {0.322079437797 0.545152653008 0.86173552963} H6 13 1
1 {} {0.405883328282 0.680556470525 0.307649451621} H7 14 1
1 {} {0.648012354991 0.706584919559 0.279423800395} H8 15 1
1 {} {0.552859451837 0.686228263403 0.501781458188} H10 16 1
8 {} {0.270816939148 0.634839967767 0.624207862786} O 17 1
1 {} {0.358531869737 0.675713653918 0.614033457376} 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