iterations/neb0_image06_iter208.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 {} {0.475172245255 0.225674797826 0.485413397236} O1 1 1
14 {} {0.331288078124 0.216674716794 0.56547678433} Si1 2 1
14 {} {0.608835945335 0.317992369764 0.458367306406} Si2 3 1
8 {} {0.572117803567 0.476449783298 0.470328480522} O2 4 1
8 {} {0.300960564369 0.353254015834 0.651433295267} O3 5 1
14 {} {0.285516963286 0.516183036152 0.653164776961} Si3 6 1
14 {} {0.486366863556 0.613441719372 0.447701611414} Si4 7 1
1 {} {0.335595599383 0.1038965528 0.663844146786} H1 8 1
1 {} {0.224283852407 0.198925062559 0.462774464451} H2 9 1
1 {} {0.654744715494 0.292035715955 0.319310899263} H3 10 1
1 {} {0.712904187543 0.293444292674 0.562544212512} H4 11 1
1 {} {0.14518240609 0.547487995915 0.694759695012} H5 12 1
1 {} {0.381561898716 0.577946309211 0.747559860047} H6 13 1
1 {} {0.38945024876 0.810493886148 0.53038237123} H7 14 1
1 {} {0.468400723918 0.655313733066 0.305957209419} H8 15 1
1 {} {0.586068863221 0.711950313255 0.503580737665} H10 16 1
8 {} {0.329803558621 0.576852068085 0.505511908129} O 17 1
1 {} {0.321831411681 0.784501516607 0.50294694268} 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