./iterations/neb0_image04_iter57.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 {} {0.467739260861 0.22641789028 0.482107414316} O1 1 1
14 {} {0.330697022009 0.234292924713 0.572570605642} Si1 2 1
14 {} {0.587438990061 0.332433242028 0.438342243329} Si2 3 1
8 {} {0.521364697888 0.478332950747 0.400249744107} O2 4 1
8 {} {0.330521198168 0.368438456155 0.667340745445} O3 5 1
14 {} {0.277743349064 0.520248874171 0.70038785753} Si3 6 1
14 {} {0.521943459967 0.643361336905 0.404785266155} Si4 7 1
1 {} {0.331354914599 0.118460599175 0.665081292768} H1 8 1
1 {} {0.212744449826 0.233316957694 0.480681503125} H2 9 1
1 {} {0.654069054148 0.270391268629 0.319586000808} H3 10 1
1 {} {0.686727700798 0.347145020182 0.550948521971} H4 11 1
1 {} {0.128927270628 0.527196183963 0.70288110859} H5 12 1
1 {} {0.338827312868 0.56368520649 0.828580289158} H6 13 1
1 {} {0.395665051707 0.724615624151 0.396841894414} H7 14 1
1 {} {0.578627875921 0.684984397813 0.274781828276} H8 15 1
1 {} {0.599925126061 0.692169061399 0.523094821632} H10 16 1
8 {} {0.336701730105 0.610182449121 0.578143027801} O 17 1
1 {} {0.309067663731 0.696845523858 0.544653841611} 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