iterations/neb0_image02_iter85.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.468165870701 0.237204552359 0.47772211595} O1 1 1
14 {} {0.329581718386 0.243355365174 0.565840314548} Si1 2 1
14 {} {0.59440810483 0.3318502275 0.431451572554} Si2 3 1
8 {} {0.54043816529 0.475558612448 0.374841015343} O2 4 1
8 {} {0.330558204864 0.374980360049 0.664081939124} O3 5 1
14 {} {0.265391038836 0.517193635097 0.714833931914} Si3 6 1
14 {} {0.530973356473 0.640010377179 0.378693579704} Si4 7 1
1 {} {0.324271482588 0.121277854208 0.650772358556} H1 8 1
1 {} {0.213560273648 0.249729825929 0.472498651036} H2 9 1
1 {} {0.665383657108 0.260538603778 0.32199810193} H3 10 1
1 {} {0.68299115154 0.354097395492 0.549334147408} H4 11 1
1 {} {0.120319777254 0.495810248711 0.737173794321} H5 12 1
1 {} {0.338493436686 0.558650858179 0.837528491766} H6 13 1
1 {} {0.390422948107 0.680922151102 0.355978192417} H7 14 1
1 {} {0.618126929081 0.697253017099 0.271966059999} H8 15 1
1 {} {0.577486869886 0.690971686027 0.511911222145} H10 16 1
8 {} {0.279850043333 0.634539613019 0.599352168407} O 17 1
1 {} {0.339663080359 0.708573594242 0.615080335304} 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
12 5 0 0
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
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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