./iterations/neb0_image03_iter93.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.467204951324 0.235422598228 0.483973852983} O1 1 1
14 {} {0.329575682968 0.236552775715 0.573538258675} Si1 2 1
14 {} {0.58790812692 0.335489865607 0.43421174576} Si2 3 1
8 {} {0.52621796483 0.479400690036 0.386561642357} O2 4 1
8 {} {0.325854115405 0.366321926724 0.673964396091} O3 5 1
14 {} {0.270655202772 0.515973439313 0.711435092653} Si3 6 1
14 {} {0.533616409959 0.644205324315 0.383810757015} Si4 7 1
1 {} {0.328907522793 0.113810146752 0.657829380795} H1 8 1
1 {} {0.213158598832 0.238947580795 0.480489297756} H2 9 1
1 {} {0.654732739228 0.271029694509 0.318558944263} H3 10 1
1 {} {0.682631146184 0.354382266136 0.547549041137} H4 11 1
1 {} {0.122005596797 0.51410738922 0.72273312008} H5 12 1
1 {} {0.335344960846 0.5578406396 0.838515684951} H6 13 1
1 {} {0.398606318326 0.702340376581 0.361480649185} H7 14 1
1 {} {0.620403893391 0.686454609249 0.26887153988} H8 15 1
1 {} {0.59347227506 0.695866719594 0.511235879802} H10 16 1
8 {} {0.318243434389 0.614988256813 0.586593006444} O 17 1
1 {} {0.301547173894 0.709383657573 0.589705713586} 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