iterations/neb0_image04_iter153.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.464122031545 0.246459662731 0.485802129894} O1 1 1
14 {} {0.325940041593 0.230132499227 0.573663652377} Si1 2 1
14 {} {0.587811382647 0.34416379293 0.442607185744} Si2 3 1
8 {} {0.532994290466 0.495855876673 0.412547185608} O2 4 1
8 {} {0.304882008105 0.35322456626 0.678188187585} O3 5 1
14 {} {0.261060114047 0.509376149677 0.70574922059} Si3 6 1
14 {} {0.550442376336 0.660226263361 0.400417548768} Si4 7 1
1 {} {0.335822358001 0.104990752646 0.65312392258} H1 8 1
1 {} {0.214814471842 0.221484319225 0.474500093351} H2 9 1
1 {} {0.647295936584 0.288254049026 0.319217026556} H3 10 1
1 {} {0.69083774385 0.348673927041 0.549810335824} H4 11 1
1 {} {0.113468051423 0.521950472125 0.727810681107} H5 12 1
1 {} {0.342359760305 0.554692944102 0.821046677579} H6 13 1
1 {} {0.419995201617 0.733401691056 0.411946919614} H7 14 1
1 {} {0.605058571572 0.690294794359 0.263885370671} H8 15 1
1 {} {0.646252750751 0.710643487564 0.506417342518} H10 16 1
8 {} {0.307864469633 0.592764208409 0.572091040617} O 17 1
1 {} {0.259064495256 0.665928408499 0.532233523132} 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