iterations/neb0_image06_iter2.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 {} {0.470258766331 0.226193738206 0.487337450205} O1 1 1
14 {} {0.332883885218 0.230109424914 0.577116039509} Si1 2 1
14 {} {0.603870292468 0.3085554072 0.43996293871} Si2 3 1
8 {} {0.565297855128 0.45826630076 0.385692834514} O2 4 1
8 {} {0.327735507614 0.365477336576 0.668322772265} O3 5 1
14 {} {0.281733482468 0.512741860256 0.694501015459} Si3 6 1
14 {} {0.519245607392 0.611003289667 0.414516224496} Si4 7 1
1 {} {0.333572404547 0.114146010073 0.668363800082} H1 8 1
1 {} {0.216954921131 0.227448840594 0.485163095753} H2 9 1
1 {} {0.664354638424 0.234278387363 0.327841419207} H3 10 1
1 {} {0.696676422233 0.3215969709 0.554688973961} H4 11 1
1 {} {0.136675523615 0.51483260453 0.693506102673} H5 12 1
1 {} {0.344256054225 0.556490893767 0.819334680358} H6 13 1
1 {} {0.345148736031 0.820546055361 0.377493413408} H7 14 1
1 {} {0.538779162617 0.68564446696 0.302844526724} H8 15 1
1 {} {0.588947431024 0.673369771301 0.520277833618} H10 16 1
8 {} {0.32753088481 0.607867457021 0.580270652918} O 17 1
1 {} {0.316164564725 0.803949144852 0.533824226341} 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