./iterations/neb0_image08_iter81.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 {} {0.471791183087 0.21828301798 0.489236519866} O1 1 1
14 {} {0.333746939326 0.221177660944 0.578135113682} Si1 2 1
14 {} {0.602357728972 0.307569170379 0.444094236528} Si2 3 1
8 {} {0.557313345356 0.459307459239 0.40102314302} O2 4 1
8 {} {0.329884946556 0.353306300975 0.676668049254} O3 5 1
14 {} {0.298786820516 0.514899832147 0.674865537565} Si3 6 1
14 {} {0.504291703517 0.605091339245 0.453767615727} Si4 7 1
1 {} {0.330117222782 0.100289259736 0.664066623021} H1 8 1
1 {} {0.218124215691 0.225946521768 0.484376730112} H2 9 1
1 {} {0.663358166107 0.244583213294 0.324400184664} H3 10 1
1 {} {0.696492374108 0.314955112317 0.559517915724} H4 11 1
1 {} {0.152119045683 0.537855144422 0.665218444051} H5 12 1
1 {} {0.356246323971 0.571995178747 0.799745501324} H6 13 1
1 {} {0.333057731772 0.841236017222 0.416526870904} H7 14 1
1 {} {0.472050856748 0.683897850215 0.332942975606} H8 15 1
1 {} {0.607746939782 0.670440503565 0.538941409656} H10 16 1
8 {} {0.367798127279 0.585373319831 0.54322269962} O 17 1
1 {} {0.314802452017 0.816311078302 0.484308397799} 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 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