./iterations/neb0_image06_iter193.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 {} {0.47480837299 0.224973595903 0.486258839647} O1 1 1
14 {} {0.331729384522 0.217379441328 0.565594024272} Si1 2 1
14 {} {0.607497764039 0.317094448224 0.456414147532} Si2 3 1
8 {} {0.570196749482 0.475205704069 0.459973222986} O2 4 1
8 {} {0.305202048854 0.353913897148 0.653451440655} O3 5 1
14 {} {0.286374334994 0.516808899788 0.655009370306} Si3 6 1
14 {} {0.484785059481 0.61327065069 0.446773769511} Si4 7 1
1 {} {0.33680607933 0.104964899952 0.66157479278} H1 8 1
1 {} {0.223934925032 0.203392152234 0.464670322694} H2 9 1
1 {} {0.657954606938 0.285064009905 0.320273691944} H3 10 1
1 {} {0.711046456946 0.294706383797 0.561729296158} H4 11 1
1 {} {0.145237962021 0.546311522289 0.693516858164} H5 12 1
1 {} {0.378501560578 0.579846870788 0.753275794495} H6 13 1
1 {} {0.390344720164 0.812338610958 0.526107587004} H7 14 1
1 {} {0.469163225184 0.658922022221 0.305844646175} H8 15 1
1 {} {0.582828237667 0.707737158408 0.509689335823} H10 16 1
8 {} {0.330451882865 0.577431745436 0.50691550176} O 17 1
1 {} {0.323222566935 0.783155846364 0.503985430132} 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