./iterations/neb0_image05_iter140.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.471339532761 0.229824561809 0.484629510564} O1 1 1
14 {} {0.3310417536 0.224555161999 0.568861756026} Si1 2 1
14 {} {0.59511858437 0.335053447349 0.452967121018} Si2 3 1
8 {} {0.536957694099 0.487358679668 0.4524742852} O2 4 1
8 {} {0.313906232235 0.360843153627 0.658511972829} O3 5 1
14 {} {0.274261525191 0.517936812888 0.67476468292} Si3 6 1
14 {} {0.523071823368 0.653026844217 0.431008417753} Si4 7 1
1 {} {0.331621426477 0.108629787562 0.661519747211} H1 8 1
1 {} {0.218899154273 0.215183845082 0.472243461338} H2 9 1
1 {} {0.651053376468 0.289558071759 0.321619152973} H3 10 1
1 {} {0.699415851752 0.325268894175 0.558097068526} H4 11 1
1 {} {0.129592995715 0.531038762534 0.712433811118} H5 12 1
1 {} {0.368269093295 0.584862694025 0.771098631305} H6 13 1
1 {} {0.431962183427 0.771448946376 0.471396837527} H7 14 1
1 {} {0.518672690322 0.665102651119 0.283081423593} H8 15 1
1 {} {0.642012397869 0.700696691297 0.510903490147} H10 16 1
8 {} {0.29194916616 0.587526632146 0.524689159383} O 17 1
1 {} {0.280940559297 0.684602274061 0.520757516866} 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