./iterations/neb0_image04_iter33.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 {} {0.470368281214 0.22926749991 0.483203563486} O1 1 1
14 {} {0.332908700965 0.235941819671 0.571966492388} Si1 2 1
14 {} {0.591072714655 0.331156043914 0.43649090993} Si2 3 1
8 {} {0.529560669149 0.478227678172 0.397096239201} O2 4 1
8 {} {0.333290567109 0.374861101626 0.657817661188} O3 5 1
14 {} {0.278618902476 0.523967354196 0.697459170333} Si3 6 1
14 {} {0.514239181938 0.645077711528 0.403317521169} Si4 7 1
1 {} {0.330482066025 0.118481539714 0.662387557847} H1 8 1
1 {} {0.216013139926 0.233501418893 0.481842289978} H2 9 1
1 {} {0.660516521294 0.251379332254 0.328908560514} H3 10 1
1 {} {0.689819409361 0.333377629434 0.54957143152} H4 11 1
1 {} {0.130304823983 0.521614950584 0.70479849239} H5 12 1
1 {} {0.340380303205 0.561395527213 0.827540749452} H6 13 1
1 {} {0.391571302291 0.731502665517 0.402320585539} H7 14 1
1 {} {0.568295539494 0.688166939907 0.272375827008} H8 15 1
1 {} {0.586076928266 0.682541014901 0.526844823052} H10 16 1
8 {} {0.331674360224 0.621904785675 0.577628351484} O 17 1
1 {} {0.314892718632 0.710152950039 0.549487785717} 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