iterations/neb0_image08_iter190.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 {} {0.471187324008 0.227790015765 0.493251676395} O1 1 1
14 {} {0.329955258328 0.220255004355 0.576528773029} Si1 2 1
14 {} {0.612162027014 0.299133640076 0.45001931055} Si2 3 1
8 {} {0.589727675244 0.45769064951 0.413374197927} O2 4 1
8 {} {0.313475713716 0.348065782182 0.679019793095} O3 5 1
14 {} {0.300590446149 0.512254869693 0.671519854598} Si3 6 1
14 {} {0.512693390906 0.597545954563 0.449846390456} Si4 7 1
1 {} {0.33118435735 0.0972918985998 0.659588877435} H1 8 1
1 {} {0.218388793964 0.22115141373 0.477893920996} H2 9 1
1 {} {0.663657251823 0.231383701521 0.328471839834} H3 10 1
1 {} {0.708099565834 0.290310158186 0.563469451102} H4 11 1
1 {} {0.157067763503 0.550223874604 0.662043952418} H5 12 1
1 {} {0.363464680696 0.567938373417 0.794204369386} H6 13 1
1 {} {0.314119971314 0.89892489995 0.469985334522} H7 14 1
1 {} {0.471062533501 0.66087080657 0.322369800765} H8 15 1
1 {} {0.604442021556 0.684919770441 0.527632590353} H10 16 1
8 {} {0.377166748443 0.568003526886 0.538049162125} O 17 1
1 {} {0.271640737496 0.838763526212 0.453788487285} 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
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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
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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