iterations/neb0_image06_iter245.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 {} {0.474395682831 0.23393950937 0.492441014083} O1 1 1
14 {} {0.327542284307 0.217689780333 0.564508149931} Si1 2 1
14 {} {0.607040771148 0.325385888428 0.463673364316} Si2 3 1
8 {} {0.579773550608 0.48465808206 0.491714772518} O2 4 1
8 {} {0.284407774677 0.351706059788 0.647918929572} O3 5 1
14 {} {0.283310061268 0.515166853524 0.650115051313} Si3 6 1
14 {} {0.490021528459 0.615352879244 0.449395152521} Si4 7 1
1 {} {0.335785371065 0.108908282919 0.662953541413} H1 8 1
1 {} {0.228007868332 0.186484028138 0.459503939716} H2 9 1
1 {} {0.648313739222 0.312162416022 0.321396118254} H3 10 1
1 {} {0.713919643535 0.285740519023 0.558542206542} H4 11 1
1 {} {0.14625251674 0.546527390559 0.702362752272} H5 12 1
1 {} {0.384173238983 0.573196748802 0.742343715855} H6 13 1
1 {} {0.388756514921 0.809974054381 0.52325786176} H7 14 1
1 {} {0.474345361509 0.637359450054 0.303503205671} H8 15 1
1 {} {0.592256396109 0.718217370192 0.490881957844} H10 16 1
8 {} {0.328637781493 0.578081532103 0.502938123007} O 17 1
1 {} {0.323145884324 0.771967140593 0.503608339466} 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