./iterations/neb0_image05_iter26.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.469801381799 0.225892711757 0.483062359215} O1 1 1
14 {} {0.332207252414 0.234556555848 0.574454359241} Si1 2 1
14 {} {0.597130937375 0.319605485735 0.438469660903} Si2 3 1
8 {} {0.542012151378 0.474047279223 0.395016698043} O2 4 1
8 {} {0.33240555507 0.37302981058 0.662159801276} O3 5 1
14 {} {0.282002858195 0.529406168661 0.691108806115} Si3 6 1
14 {} {0.507167097623 0.636947579883 0.419277475735} Si4 7 1
1 {} {0.33075570125 0.112866463512 0.663035539431} H1 8 1
1 {} {0.215443663919 0.232623125813 0.480287907126} H2 9 1
1 {} {0.665279605135 0.241782953531 0.327475017359} H3 10 1
1 {} {0.694237123696 0.328613659098 0.55370019153} H4 11 1
1 {} {0.135372868828 0.517691274696 0.703604834508} H5 12 1
1 {} {0.339696101115 0.556853981035 0.823191639225} H6 13 1
1 {} {0.363165107496 0.776881898588 0.418324399676} H7 14 1
1 {} {0.544742380106 0.685716701866 0.284023839248} H8 15 1
1 {} {0.590440584678 0.678895385957 0.53273243882} H10 16 1
8 {} {0.338365677293 0.630389836741 0.569925447775} O 17 1
1 {} {0.329860088849 0.716717086518 0.511207571274} 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