iterations/neb0_image07_iter158.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.47117926948 0.241636294068 0.492016737771} O1 1 1
14 {} {0.332072096107 0.221876273757 0.577795049538} Si1 2 1
14 {} {0.615897848304 0.306982207209 0.451503807423} Si2 3 1
8 {} {0.599924757802 0.467260259459 0.419294678704} O2 4 1
8 {} {0.307005307191 0.348017450347 0.681595014063} O3 5 1
14 {} {0.291363104315 0.510761998441 0.656553242042} Si3 6 1
14 {} {0.495900080341 0.595076256559 0.440022865154} Si4 7 1
1 {} {0.341116122302 0.100206282355 0.66118283787} H1 8 1
1 {} {0.221412318456 0.214650462689 0.479065647559} H2 9 1
1 {} {0.664184341381 0.235249628975 0.329871231857} H3 10 1
1 {} {0.712695389833 0.281622673715 0.563754207428} H4 11 1
1 {} {0.146006246429 0.548621278829 0.658234577742} H5 12 1
1 {} {0.370710380129 0.587034238885 0.758770475858} H6 13 1
1 {} {0.349327777923 0.889881575261 0.489704661092} H7 14 1
1 {} {0.451137949963 0.656624063654 0.311946138375} H8 15 1
1 {} {0.567733636507 0.69086042058 0.526878180115} H10 16 1
8 {} {0.354262056141 0.545768807678 0.508249389138} O 17 1
1 {} {0.318157307755 0.83038764626 0.524619100421} 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