iterations/neb0_image07_iter57.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 {} {0.470426222417 0.217854348506 0.482787212322} O1 1 1
14 {} {0.332163450362 0.225018209326 0.572465413635} Si1 2 1
14 {} {0.599122206522 0.313553687021 0.442651206331} Si2 3 1
8 {} {0.549603712851 0.46367869161 0.402053900789} O2 4 1
8 {} {0.332922645036 0.355373875324 0.674061683718} O3 5 1
14 {} {0.297764299277 0.516141834696 0.680117727352} Si3 6 1
14 {} {0.500778183918 0.610689991239 0.455930213923} Si4 7 1
1 {} {0.327909215745 0.104804408759 0.659830350435} H1 8 1
1 {} {0.214833917436 0.233971943399 0.479091019934} H2 9 1
1 {} {0.66310941733 0.25240029475 0.323531201613} H3 10 1
1 {} {0.693380907236 0.32886682289 0.557743455467} H4 11 1
1 {} {0.149788544221 0.536783721823 0.675366263397} H5 12 1
1 {} {0.35364449611 0.571264417381 0.807103751721} H6 13 1
1 {} {0.346686778713 0.812566077187 0.417730208997} H7 14 1
1 {} {0.484645632822 0.684161282857 0.327893616115} H8 15 1
1 {} {0.601048243136 0.679599944474 0.540812537759} H10 16 1
8 {} {0.366894559591 0.589195268551 0.550242772057} O 17 1
1 {} {0.325363717538 0.7765931425 0.481645429881} 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