./iterations/neb0_image01_iter22.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.468185334982 0.242599359223 0.471484730593} O1 1 1
14 {} {0.32797150941 0.249824733805 0.557439043295} Si1 2 1
14 {} {0.60066329291 0.330813658557 0.431235892312} Si2 3 1
8 {} {0.555775656198 0.476070523223 0.367042092282} O2 4 1
8 {} {0.332495660809 0.379422927808 0.659133650305} O3 5 1
14 {} {0.267446180631 0.514588727285 0.725761584434} Si3 6 1
14 {} {0.52910918358 0.638505227875 0.372101412942} Si4 7 1
1 {} {0.317360532999 0.125403468417 0.638882290219} H1 8 1
1 {} {0.213752683437 0.262497413228 0.462192897642} H2 9 1
1 {} {0.674174518062 0.249996866212 0.329930309516} H3 10 1
1 {} {0.684830071307 0.350107831005 0.553541593583} H4 11 1
1 {} {0.122448084058 0.490097520413 0.746444283507} H5 12 1
1 {} {0.341727212938 0.533691379648 0.854692100765} H6 13 1
1 {} {0.38757064747 0.680459751881 0.340047609956} H7 14 1
1 {} {0.613950625194 0.704587089305 0.270562198332} H8 15 1
1 {} {0.559601342029 0.688487046726 0.509050413145} H10 16 1
8 {} {0.270436900683 0.644545694151 0.625447209069} O 17 1
1 {} {0.342586697148 0.710818730374 0.616068678812} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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