iterations/neb0_image07_iter215.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.474088429497 0.22885248206 0.496034498192} O1 1 1
14 {} {0.334190042396 0.216750768398 0.581131023284} Si1 2 1
14 {} {0.615660830024 0.300648061528 0.452341614107} Si2 3 1
8 {} {0.597301994357 0.461424466569 0.423915572369} O2 4 1
8 {} {0.308521675353 0.348813375894 0.676742706596} O3 5 1
14 {} {0.291115846553 0.510669610316 0.650996108488} Si3 6 1
14 {} {0.496148636892 0.590549855689 0.434187789028} Si4 7 1
1 {} {0.343736348333 0.0985419285269 0.67026905367} H1 8 1
1 {} {0.221737740378 0.205196630591 0.483854984191} H2 9 1
1 {} {0.660326539893 0.233934291959 0.326913133211} H3 10 1
1 {} {0.7150938299 0.288239856482 0.562743235021} H4 11 1
1 {} {0.147845990334 0.550242153236 0.649376222206} H5 12 1
1 {} {0.367473690993 0.579884184069 0.758566777126} H6 13 1
1 {} {0.342666840508 0.918149837708 0.502126464403} H7 14 1
1 {} {0.469423010445 0.636614178353 0.295654830479} H8 15 1
1 {} {0.558885734857 0.693429012196 0.521645414791} H10 16 1
8 {} {0.351627372431 0.549014666154 0.502564452198} O 17 1
1 {} {0.314241365713 0.86156246198 0.541993908371} 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