./iterations/neb0_image05_iter102.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 {} {0.47046682258 0.22688568136 0.490836923999} O1 1 1
14 {} {0.331210551301 0.223321383366 0.574729255834} Si1 2 1
14 {} {0.59104356055 0.332370417636 0.448233998274} Si2 3 1
8 {} {0.531657889086 0.4817460357 0.421909701851} O2 4 1
8 {} {0.325347191104 0.356201316035 0.673072618889} O3 5 1
14 {} {0.287363094339 0.513254925318 0.68027894922} Si3 6 1
14 {} {0.504476630358 0.650449367378 0.428175921129} Si4 7 1
1 {} {0.327339028056 0.102101849898 0.658936112229} H1 8 1
1 {} {0.214764090825 0.229135132496 0.483556332378} H2 9 1
1 {} {0.64895282022 0.279451916845 0.321334683847} H3 10 1
1 {} {0.692108111439 0.329357468352 0.559383186331} H4 11 1
1 {} {0.141054028189 0.53872391812 0.676654271078} H5 12 1
1 {} {0.358934636716 0.575658434169 0.794190117953} H6 13 1
1 {} {0.408636543122 0.77634667941 0.436302928043} H7 14 1
1 {} {0.527015645338 0.675117705354 0.283790526218} H8 15 1
1 {} {0.602673216832 0.697846650384 0.528957789053} H10 16 1
8 {} {0.337730051659 0.595041826778 0.539439995114} O 17 1
1 {} {0.309312174924 0.68950721864 0.531274689665} 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