iterations/neb0_image05_iter53.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.4701887084 0.223749833563 0.481422430287} O1 1 1
14 {} {0.332052218945 0.229424368982 0.570112510654} Si1 2 1
14 {} {0.59047430727 0.329059201 0.441803310402} Si2 3 1
8 {} {0.526181029769 0.476079531926 0.410156303984} O2 4 1
8 {} {0.3335679994 0.364985276125 0.666615561063} O3 5 1
14 {} {0.286893534211 0.519509654474 0.688481357932} Si3 6 1
14 {} {0.503132910569 0.640100771912 0.430720756753} Si4 7 1
1 {} {0.330445635754 0.115748815285 0.665208214248} H1 8 1
1 {} {0.212439950468 0.232828448431 0.480315148571} H2 9 1
1 {} {0.654823028405 0.266008578233 0.324321021415} H3 10 1
1 {} {0.689549741168 0.338673144564 0.552543137759} H4 11 1
1 {} {0.136776699629 0.534338282447 0.689998245314} H5 12 1
1 {} {0.343937274484 0.568972796606 0.818984650623} H6 13 1
1 {} {0.393150252189 0.760433563266 0.421582195102} H7 14 1
1 {} {0.530636241965 0.682413650655 0.293381153683} H8 15 1
1 {} {0.596731470186 0.692648798869 0.532706860248} H10 16 1
8 {} {0.349357094493 0.604210314867 0.557752462851} O 17 1
1 {} {0.329748016022 0.693332922283 0.504952654618} 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