iterations/neb0_image03_iter19.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.469401393629 0.231711367049 0.478728425309} O1 1 1
14 {} {0.330672925883 0.241671155284 0.568224397798} Si1 2 1
14 {} {0.599463704779 0.325738150947 0.434305274373} Si2 3 1
8 {} {0.548006992594 0.475552696184 0.379695730567} O2 4 1
8 {} {0.331667449563 0.375313886023 0.661746975517} O3 5 1
14 {} {0.274400899328 0.521064544262 0.70960355531} Si3 6 1
14 {} {0.513437964751 0.642160774153 0.388514289636} Si4 7 1
1 {} {0.325511861067 0.11785859449 0.654423563693} H1 8 1
1 {} {0.213960911886 0.244150724792 0.472538832586} H2 9 1
1 {} {0.669125220111 0.242902974309 0.328385926027} H3 10 1
1 {} {0.691092199656 0.33607083797 0.554448765635} H4 11 1
1 {} {0.12673741113 0.504384336104 0.721024828952} H5 12 1
1 {} {0.342687792745 0.547149424324 0.840051160361} H6 13 1
1 {} {0.384947598156 0.722114724816 0.369347492723} H7 14 1
1 {} {0.586181124225 0.69691450002 0.27351725599} H8 15 1
1 {} {0.574195645678 0.680699671695 0.520095386215} H10 16 1
8 {} {0.308083734001 0.636371065525 0.591868821899} O 17 1
1 {} {0.320511304226 0.7306885418 0.584537306138} 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