iterations/neb0_image09_iter157.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	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
8 {} {0.471540277346 0.217123610678 0.494377623323} O1 1 1
14 {} {0.333875398216 0.215373252353 0.583061101479} Si1 2 1
14 {} {0.605207382176 0.299009356608 0.444453585865} Si2 3 1
8 {} {0.566836658441 0.452501523074 0.400179459312} O2 4 1
8 {} {0.324152754449 0.349963472658 0.67792446625} O3 5 1
14 {} {0.29906718522 0.512364858872 0.672683329856} Si3 6 1
14 {} {0.509630667967 0.598179794822 0.451504394157} Si4 7 1
1 {} {0.336227936078 0.0966818227224 0.671933364135} H1 8 1
1 {} {0.218615510117 0.213025859042 0.489203921264} H2 9 1
1 {} {0.659612702673 0.229063555402 0.325274262105} H3 10 1
1 {} {0.704212899684 0.3028986538 0.556265679248} H4 11 1
1 {} {0.153750141263 0.540636318627 0.657658916613} H5 12 1
1 {} {0.355081112071 0.569177316535 0.798415347337} H6 13 1
1 {} {0.319956575378 0.899913943231 0.423112279447} H7 14 1
1 {} {0.473113818479 0.67792225764 0.331831282947} H8 15 1
1 {} {0.614230218255 0.664648335303 0.534308173606} H10 16 1
8 {} {0.373301311872 0.578904987998 0.542834597928} O 17 1
1 {} {0.291673567802 0.855129003804 0.476035981563} 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
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 16 6 {0 0 0} 0
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
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end