iterations/neb0_image05_iter158.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.474781403031 0.230389327532 0.485118147639} O1 1 1
14 {} {0.330211110458 0.227248153769 0.566061835831} Si1 2 1
14 {} {0.59521352919 0.34202348132 0.459206598193} Si2 3 1
8 {} {0.534897412391 0.494948302127 0.476021906773} O2 4 1
8 {} {0.302540180828 0.364076204536 0.653425660709} O3 5 1
14 {} {0.259429651903 0.521005025397 0.665566223164} Si3 6 1
14 {} {0.547680945477 0.654375774921 0.435866987336} Si4 7 1
1 {} {0.336352489842 0.114608731412 0.662382786345} H1 8 1
1 {} {0.225343515305 0.204106402635 0.463170532359} H2 9 1
1 {} {0.64957919547 0.316638401944 0.320124353044} H3 10 1
1 {} {0.701958183249 0.314997726682 0.563037066779} H4 11 1
1 {} {0.131483523659 0.529234003804 0.7423656543} H5 12 1
1 {} {0.369012355701 0.588171792418 0.741744929732} H6 13 1
1 {} {0.448815808427 0.74153662226 0.509548659532} H7 14 1
1 {} {0.516066542101 0.661079127442 0.290524603656} H8 15 1
1 {} {0.681264685819 0.705859485188 0.477627106051} H10 16 1
8 {} {0.237692121793 0.584849839969 0.513684688062} O 17 1
1 {} {0.267763364032 0.677369523424 0.505580377312} 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