./iterations/neb0_image01_iter65.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.467867270509 0.240440867258 0.47248841723} O1 1 1
14 {} {0.328420258931 0.248828475452 0.559179750785} Si1 2 1
14 {} {0.598472722915 0.331280082934 0.430710065237} Si2 3 1
8 {} {0.551637410342 0.475127475685 0.368018305174} O2 4 1
8 {} {0.332570935053 0.379718757662 0.658553728297} O3 5 1
14 {} {0.264497866967 0.515274727183 0.72241372417} Si3 6 1
14 {} {0.529921547109 0.637940551586 0.374389762557} Si4 7 1
1 {} {0.319417815216 0.125540628368 0.642060441428} H1 8 1
1 {} {0.213085724543 0.260138571233 0.465409613153} H2 9 1
1 {} {0.671113721197 0.256925046058 0.324711691634} H3 10 1
1 {} {0.682542976141 0.356166005635 0.551448229373} H4 11 1
1 {} {0.119987845146 0.490352771079 0.746087131252} H5 12 1
1 {} {0.34091894077 0.545629430197 0.846701079193} H6 13 1
1 {} {0.387336915421 0.669960504804 0.345456347403} H7 14 1
1 {} {0.618890109529 0.702707049444 0.274125749509} H8 15 1
1 {} {0.56623837205 0.690865302785 0.510113238332} H10 16 1
8 {} {0.269235911526 0.643955647976 0.619225836951} O 17 1
1 {} {0.347929803828 0.701666054498 0.619964881253} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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