iterations/neb0_image07_iter110.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.469820890448 0.223850512417 0.491515596649} O1 1 1
14 {} {0.330916153455 0.222126389326 0.578210422184} Si1 2 1
14 {} {0.601098437573 0.311905757289 0.446426249634} Si2 3 1
8 {} {0.562610512987 0.4654400086 0.405868278356} O2 4 1
8 {} {0.32441983307 0.352506762715 0.678106879033} O3 5 1
14 {} {0.298131083262 0.514724859028 0.675032812944} Si3 6 1
14 {} {0.503770645352 0.610375285263 0.451196176111} Si4 7 1
1 {} {0.327566426641 0.100056150271 0.662234800896} H1 8 1
1 {} {0.215724428971 0.228452098586 0.485008361098} H2 9 1
1 {} {0.657894113938 0.250932290009 0.324170675908} H3 10 1
1 {} {0.697174651795 0.318284920958 0.559691374025} H4 11 1
1 {} {0.152150997962 0.541917574184 0.665613050979} H5 12 1
1 {} {0.356163384396 0.571633310258 0.799506752091} H6 13 1
1 {} {0.349771686223 0.827690229082 0.431398989436} H7 14 1
1 {} {0.481839661553 0.68023448532 0.322836426087} H8 15 1
1 {} {0.601070315021 0.686903163674 0.533269986128} H10 16 1
8 {} {0.370138247563 0.581115243298 0.542863880558} O 17 1
1 {} {0.309824658666 0.784368894911 0.478107230683} 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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14 6 0 0
16 5 0 2
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4 1 0 0
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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
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5 4 1 {0 0 0} 0
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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
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	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end