iterations/neb0_image06_iter271.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 {} {0.470871309117 0.24892478924 0.489588763849} O1 1 1
14 {} {0.325188743911 0.220981666333 0.560544183641} Si1 2 1
14 {} {0.608041630131 0.335209784828 0.47074719673} Si2 3 1
8 {} {0.583778816671 0.489386716043 0.523791472044} O2 4 1
8 {} {0.259942011551 0.353414098194 0.633992531913} O3 5 1
14 {} {0.276281240486 0.516042893699 0.655609725141} Si3 6 1
14 {} {0.493507106616 0.612056685839 0.458751606357} Si4 7 1
1 {} {0.340289646181 0.118610268375 0.66722214716} H1 8 1
1 {} {0.236296227286 0.177128568651 0.450803913749} H2 9 1
1 {} {0.640971637329 0.342259164229 0.324188469013} H3 10 1
1 {} {0.717846899998 0.276190906656 0.552325886887} H4 11 1
1 {} {0.144939086759 0.562110940365 0.712829223478} H5 12 1
1 {} {0.38193241418 0.561597596706 0.750417995303} H6 13 1
1 {} {0.398331195486 0.793267431996 0.503501329334} H7 14 1
1 {} {0.474132981528 0.614854992037 0.312485300917} H8 15 1
1 {} {0.594998035254 0.724228553925 0.4770155103} H10 16 1
8 {} {0.327818691768 0.575238265309 0.508622906386} O 17 1
1 {} {0.334918376716 0.751014810505 0.47862015654} 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