./iterations/neb0_image06_iter46.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 {} {0.469599392827 0.222471389127 0.482595291438} O1 1 1
14 {} {0.332005531763 0.228867970987 0.570708964054} Si1 2 1
14 {} {0.594190015627 0.321418448121 0.441766209024} Si2 3 1
8 {} {0.537567246454 0.468285857991 0.404894882824} O2 4 1
8 {} {0.333674933948 0.35915808334 0.667058689202} O3 5 1
14 {} {0.294224994686 0.518235886867 0.68430705829} Si3 6 1
14 {} {0.498969929914 0.620036796021 0.450911594586} Si4 7 1
1 {} {0.329607104572 0.112718292367 0.6609992893} H1 8 1
1 {} {0.21468540828 0.234310915978 0.480187933012} H2 9 1
1 {} {0.659873253894 0.256759330985 0.325946367598} H3 10 1
1 {} {0.691149944241 0.333815643122 0.553119104743} H4 11 1
1 {} {0.144468583967 0.534509398561 0.685958093847} H5 12 1
1 {} {0.346180193625 0.569580937551 0.81444162236} H6 13 1
1 {} {0.362910643082 0.786801104412 0.424738771245} H7 14 1
1 {} {0.50753173092 0.683016351761 0.31237634836} H8 15 1
1 {} {0.597285985985 0.6869984309 0.537692006477} H10 16 1
8 {} {0.365633294705 0.593456415402 0.556168742347} O 17 1
1 {} {0.33052793514 0.742076700185 0.477187014859} 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