iterations/neb0_image04_iter204.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 {} {0.465297169745 0.254461877012 0.488246091704} O1 1 1
14 {} {0.325637970701 0.229274194472 0.570575331449} Si1 2 1
14 {} {0.592595019893 0.347840412558 0.444255680985} Si2 3 1
8 {} {0.546056143086 0.501958538598 0.418067257206} O2 4 1
8 {} {0.292536288891 0.349528419753 0.676746937958} O3 5 1
14 {} {0.251641138255 0.50632266598 0.704232428385} Si3 6 1
14 {} {0.566405866336 0.663748370747 0.399485613116} Si4 7 1
1 {} {0.340899051922 0.103946167228 0.6494558582} H1 8 1
1 {} {0.216093708299 0.218004512009 0.470430481695} H2 9 1
1 {} {0.647493953014 0.290603730436 0.318177364431} H3 10 1
1 {} {0.694950062803 0.345209627465 0.553182503095} H4 11 1
1 {} {0.108393290284 0.51679092309 0.745420311243} H5 12 1
1 {} {0.342525078413 0.556782603333 0.810629123221} H6 13 1
1 {} {0.437131947018 0.7326111792 0.422414719807} H7 14 1
1 {} {0.610816082356 0.690998811558 0.260297918462} H8 15 1
1 {} {0.669382421583 0.71265362295 0.49562731993} H10 16 1
8 {} {0.277434723556 0.586676432291 0.56250253774} O 17 1
1 {} {0.224796103638 0.665105776928 0.541310648877} 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