iterations/neb0_image07_iter103.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 {} {0.470031300889 0.222816920494 0.491504815032} O1 1 1
14 {} {0.330659624348 0.221999556823 0.578352311746} Si1 2 1
14 {} {0.600076282978 0.312489336352 0.445907538779} Si2 3 1
8 {} {0.560654327479 0.465078137375 0.404755281773} O2 4 1
8 {} {0.325315158221 0.3525348961 0.678667357491} O3 5 1
14 {} {0.298278301342 0.514574682919 0.676078168947} Si3 6 1
14 {} {0.503850377745 0.610964001973 0.452026942068} Si4 7 1
1 {} {0.327296218202 0.100460801595 0.662270866363} H1 8 1
1 {} {0.216040870819 0.229437651696 0.484603114729} H2 9 1
1 {} {0.658509480138 0.252986966131 0.323189801836} H3 10 1
1 {} {0.696017530916 0.319224671426 0.560009685625} H4 11 1
1 {} {0.15182282185 0.541902676497 0.66632891941} H5 12 1
1 {} {0.355644286886 0.570621815153 0.801650451324} H6 13 1
1 {} {0.350344729713 0.825243923224 0.429596369812} H7 14 1
1 {} {0.483538944041 0.681109011737 0.322965194401} H8 15 1
1 {} {0.602849030136 0.685188277523 0.533274038798} H10 16 1
8 {} {0.370427647615 0.582784797259 0.54515762098} O 17 1
1 {} {0.308729198551 0.783099822965 0.474719464869} 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