iterations/neb0_image09_iter55.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472273536691 0.211746988066 0.494215328696} O1 1 1
14 {} {0.336195034837 0.216089264514 0.586333426644} Si1 2 1
14 {} {0.603028489303 0.298965799736 0.444985156723} Si2 3 1
8 {} {0.560150222534 0.451546660414 0.402200836515} O2 4 1
8 {} {0.329480805428 0.355431387685 0.674679881604} O3 5 1
14 {} {0.296446959686 0.516393171375 0.669193935864} Si3 6 1
14 {} {0.506684146568 0.599101872138 0.451018363735} Si4 7 1
1 {} {0.340688744979 0.102867512967 0.682427408176} H1 8 1
1 {} {0.217663915014 0.20880970968 0.495996363311} H2 9 1
1 {} {0.658501973765 0.23163949216 0.325011778829} H3 10 1
1 {} {0.702282093589 0.307625574329 0.556036635135} H4 11 1
1 {} {0.149759694421 0.53831096767 0.655870618572} H5 12 1
1 {} {0.35078801177 0.576881365679 0.79392992468} H6 13 1
1 {} {0.323576620946 0.877772690184 0.413156388219} H7 14 1
1 {} {0.477280679892 0.677196267829 0.328935777369} H8 15 1
1 {} {0.610209435932 0.664021205173 0.536237098807} H10 16 1
8 {} {0.367641142599 0.585725443513 0.538831647485} O 17 1
1 {} {0.307434656931 0.852392574782 0.481997421678} 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
14 6 0 0
16 5 0 0
15 6 0 0
16 6 0 0
4 1 0 0
3 2 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 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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