iterations/neb0_image08_iter20.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.470931006371 0.219744452061 0.48994771663} O1 1 1
14 {} {0.334331885576 0.222623540661 0.58196342811} Si1 2 1
14 {} {0.602891316783 0.305685478463 0.441745623055} Si2 3 1
8 {} {0.556029600111 0.457199330577 0.396821719545} O2 4 1
8 {} {0.329171477962 0.359245812015 0.673575399105} O3 5 1
14 {} {0.294281769544 0.519556784897 0.673264293129} Si3 6 1
14 {} {0.502498435067 0.605365635426 0.444884328619} Si4 7 1
1 {} {0.337757032206 0.107133728861 0.676042577436} H1 8 1
1 {} {0.216409464215 0.217902396879 0.489417555727} H2 9 1
1 {} {0.662096407476 0.231465379075 0.326327036008} H3 10 1
1 {} {0.700157782542 0.315089581031 0.555341158126} H4 11 1
1 {} {0.142319289377 0.526404463026 0.678389377438} H5 12 1
1 {} {0.344380927071 0.565678414546 0.808781468253} H6 13 1
1 {} {0.330175390424 0.846068471572 0.413170307992} H7 14 1
1 {} {0.503866612813 0.67768802705 0.316676637277} H8 15 1
1 {} {0.602330024596 0.670694384046 0.532486795196} H10 16 1
8 {} {0.364368199404 0.592580187503 0.543254684764} O 17 1
1 {} {0.316089523682 0.832391899313 0.488967900151} 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
12 5 0 0
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
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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