iterations/neb0_image05_iter238.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 {} {0.472762240512 0.254089539148 0.490951175998} O1 1 1
14 {} {0.325719800565 0.229143590071 0.559668612629} Si1 2 1
14 {} {0.606730180939 0.346130551608 0.470260045682} Si2 3 1
8 {} {0.574276907891 0.503145083526 0.511136755253} O2 4 1
8 {} {0.270009844858 0.365216008181 0.629116098859} O3 5 1
14 {} {0.236476210763 0.523658728692 0.660421694505} Si3 6 1
14 {} {0.572160974286 0.656722438288 0.451181829857} Si4 7 1
1 {} {0.33846906743 0.123753338249 0.664227773997} H1 8 1
1 {} {0.232120118305 0.18358993474 0.452910438764} H2 9 1
1 {} {0.647739400076 0.337542132852 0.32674252588} H3 10 1
1 {} {0.713319438102 0.29378803891 0.559466552998} H4 11 1
1 {} {0.136654999914 0.527557122552 0.77047327252} H5 12 1
1 {} {0.364162446968 0.592462474958 0.693889629843} H6 13 1
1 {} {0.502791045545 0.743850679017 0.550082464872} H7 14 1
1 {} {0.492108940239 0.654580378623 0.323868169471} H8 15 1
1 {} {0.711740530347 0.707691802311 0.425330813451} H10 16 1
8 {} {0.172297669418 0.603232613228 0.529138632625} O 17 1
1 {} {0.24054620455 0.626363600759 0.462191704733} 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