iterations/neb0_image06_iter154.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.472554889665 0.232378376742 0.482867635756} O1 1 1
14 {} {0.332312910253 0.222190771242 0.568471189348} Si1 2 1
14 {} {0.608913364072 0.316553620019 0.450955579135} Si2 3 1
8 {} {0.571182001987 0.474461879717 0.440576582087} O2 4 1
8 {} {0.305611083568 0.354268947601 0.66368568131} O3 5 1
14 {} {0.283124837046 0.516121384128 0.659284747929} Si3 6 1
14 {} {0.484871573424 0.610715210678 0.446325165549} Si4 7 1
1 {} {0.334795412772 0.1059647745 0.662059147772} H1 8 1
1 {} {0.224026275282 0.21198102285 0.466536672366} H2 9 1
1 {} {0.662130778671 0.279845257425 0.317602395339} H3 10 1
1 {} {0.705802485033 0.302763350304 0.562403352312} H4 11 1
1 {} {0.139558670564 0.539075370903 0.698578360999} H5 12 1
1 {} {0.372147030039 0.58679642909 0.75411308832} H6 13 1
1 {} {0.396172862014 0.814879967684 0.509135284469} H7 14 1
1 {} {0.471872734404 0.659132429909 0.306623416951} H8 15 1
1 {} {0.581759484092 0.699728301137 0.521039658875} H10 16 1
8 {} {0.332059781689 0.571178899819 0.510761049691} O 17 1
1 {} {0.331189784173 0.774481841259 0.510039001341} 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