iterations/neb0_image07_iter125.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 {} {0.469824365536 0.225747419448 0.490952291266} O1 1 1
14 {} {0.330323989785 0.222475036014 0.578022246501} Si1 2 1
14 {} {0.60435156228 0.309718252889 0.447382191119} Si2 3 1
8 {} {0.570639496022 0.465043586643 0.407360550684} O2 4 1
8 {} {0.322446061195 0.352206963183 0.679110997629} O3 5 1
14 {} {0.297254289718 0.515153785295 0.671513966381} Si3 6 1
14 {} {0.503479431006 0.608922126886 0.449393111294} Si4 7 1
1 {} {0.329472562618 0.0995394085168 0.661398468756} H1 8 1
1 {} {0.214666079252 0.224869279833 0.483797917018} H2 9 1
1 {} {0.658225026533 0.244447697572 0.325327091469} H3 10 1
1 {} {0.701655806047 0.313716956192 0.560894945951} H4 11 1
1 {} {0.15128107594 0.541983878088 0.663758039051} H5 12 1
1 {} {0.359088810941 0.575208712048 0.792849703199} H6 13 1
1 {} {0.348415924503 0.836116742322 0.439633811426} H7 14 1
1 {} {0.473431155681 0.678424097648 0.322281609863} H8 15 1
1 {} {0.596106288503 0.690573085599 0.534128843385} H10 16 1
8 {} {0.365492898051 0.578292026956 0.535244021965} O 17 1
1 {} {0.313931274393 0.790078856959 0.488008128488} 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