iterations/neb0_image08_iter30.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 {} {0.470361167197 0.219295555705 0.48891517152} O1 1 1
14 {} {0.334644236375 0.222871896131 0.579743728493} Si1 2 1
14 {} {0.601049472513 0.307371830917 0.442242563984} Si2 3 1
8 {} {0.552311243647 0.456799948432 0.400118008834} O2 4 1
8 {} {0.330806973758 0.359403434447 0.671820756626} O3 5 1
14 {} {0.295742992388 0.518278927525 0.673420223275} Si3 6 1
14 {} {0.503773819997 0.605470757686 0.451435614451} Si4 7 1
1 {} {0.336150177618 0.10691440815 0.672651808928} H1 8 1
1 {} {0.2169185591 0.22056055374 0.488356296637} H2 9 1
1 {} {0.662072527082 0.235756825476 0.326900145569} H3 10 1
1 {} {0.698599746762 0.317819611554 0.554445327731} H4 11 1
1 {} {0.148662151174 0.530559054772 0.676080790676} H5 12 1
1 {} {0.345063309689 0.567788494354 0.803157444679} H6 13 1
1 {} {0.331327278 0.838418698542 0.416341975248} H7 14 1
1 {} {0.492871869527 0.677840018314 0.321529700075} H8 15 1
1 {} {0.603867578671 0.672391316875 0.536546414215} H10 16 1
8 {} {0.366785537619 0.588222530842 0.540540748925} O 17 1
1 {} {0.319077494782 0.82675410503 0.48681129024} 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
2 0 2 {0 0 0} 0
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