./iterations/neb0_image06_iter269.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.4707722991 0.247063447965 0.490566666899} O1 1 1
14 {} {0.325806124212 0.219844683983 0.561432250258} Si1 2 1
14 {} {0.607993303957 0.333479284403 0.468817463325} Si2 3 1
8 {} {0.582063001671 0.488225606787 0.517484709276} O2 4 1
8 {} {0.265107101865 0.353145584404 0.636192144552} O3 5 1
14 {} {0.277865893311 0.516299496176 0.654154975087} Si3 6 1
14 {} {0.493017076021 0.613044359098 0.45713862157} Si4 7 1
1 {} {0.339187226033 0.116338031833 0.667539554347} H1 8 1
1 {} {0.234634166851 0.178994629678 0.452257722048} H2 9 1
1 {} {0.642344316105 0.336640062737 0.323001768857} H3 10 1
1 {} {0.717010477865 0.278512088172 0.553753355227} H4 11 1
1 {} {0.144537953475 0.55829804466 0.711795645716} H5 12 1
1 {} {0.382258269594 0.564806920348 0.74897628615} H6 13 1
1 {} {0.39578343298 0.795522421366 0.507071015699} H7 14 1
1 {} {0.475216018621 0.618721959675 0.309741745571} H8 15 1
1 {} {0.595662945208 0.723142859592 0.479576722845} H10 16 1
8 {} {0.328276928677 0.576728072354 0.508249480798} O 17 1
1 {} {0.33254950072 0.753710555226 0.483308164677} 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