./iterations/neb0_image08_iter4.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471874578978 0.219465257823 0.492747201353} O1 1 1
14 {} {0.334776152128 0.2221831627 0.585131553386} Si1 2 1
14 {} {0.60389016122 0.299727860798 0.443584372843} Si2 3 1
8 {} {0.564102905744 0.453930988224 0.392811823289} O2 4 1
8 {} {0.32791362695 0.354862332242 0.672441241316} O3 5 1
14 {} {0.287157910818 0.516323763046 0.682553383678} Si3 6 1
14 {} {0.509029983121 0.599476898854 0.439666697206} Si4 7 1
1 {} {0.340039157506 0.108705198679 0.679960111582} H1 8 1
1 {} {0.217860195931 0.213241055468 0.493902865875} H2 9 1
1 {} {0.660299268807 0.228826370146 0.326672925742} H3 10 1
1 {} {0.701328735656 0.310969032976 0.554931506774} H4 11 1
1 {} {0.14075071561 0.525416300887 0.673501648086} H5 12 1
1 {} {0.345353507489 0.566401030204 0.807476992067} H6 13 1
1 {} {0.328602298674 0.865252583542 0.405675736796} H7 14 1
1 {} {0.51050657698 0.681057950752 0.309692037323} H8 15 1
1 {} {0.601568379417 0.667973247246 0.527815246406} H10 16 1
8 {} {0.355512411471 0.59837533108 0.549369244566} O 17 1
1 {} {0.309519576183 0.84032959555 0.493123409533} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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