iterations/neb0_image09_iter191.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
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	WyckoffPosition	int	-1
@end
@data
8 {} {0.472255555421 0.216329045683 0.493873253127} O1 1 1
14 {} {0.333322728558 0.21548668367 0.582172879422} Si1 2 1
14 {} {0.605600421371 0.297750719222 0.444568820388} Si2 3 1
8 {} {0.568378731781 0.452280529067 0.401758199665} O2 4 1
8 {} {0.323139065065 0.349109678056 0.677300859259} O3 5 1
14 {} {0.299328912168 0.512120267893 0.672979860247} Si3 6 1
14 {} {0.510869279156 0.597273159307 0.452423122906} Si4 7 1
1 {} {0.335459030866 0.0970852969428 0.671541997893} H1 8 1
1 {} {0.21820654951 0.212642200188 0.487549885387} H2 9 1
1 {} {0.659464971424 0.229220938269 0.324555682558} H3 10 1
1 {} {0.704574324267 0.301907072895 0.555877679828} H4 11 1
1 {} {0.154149052312 0.54114255211 0.659541453354} H5 12 1
1 {} {0.355901209658 0.568298325048 0.798396825691} H6 13 1
1 {} {0.318670887129 0.906630527174 0.42663821263} H7 14 1
1 {} {0.474296184654 0.67522076387 0.331665235352} H8 15 1
1 {} {0.614960155382 0.666101077491 0.534098051169} H10 16 1
8 {} {0.374980327322 0.57789444618 0.54305430071} O 17 1
1 {} {0.286528718103 0.856024650437 0.473061371849} 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 0
15 6 0 0
16 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
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5 15 6 {0 0 0} 0
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7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
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	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end