./iterations/neb0_image03_iter44.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.468328463083 0.231667000706 0.479999160405} O1 1 1
14 {} {0.330947160115 0.239483885132 0.568098983129} Si1 2 1
14 {} {0.591207762092 0.330744591495 0.43494020962} Si2 3 1
8 {} {0.531092629369 0.474940852146 0.386311684257} O2 4 1
8 {} {0.332964293168 0.37491468162 0.660940719204} O3 5 1
14 {} {0.273715138443 0.519972481307 0.706079705874} Si3 6 1
14 {} {0.526542958692 0.6408101927 0.389661953634} Si4 7 1
1 {} {0.328205788924 0.121576881983 0.657586415265} H1 8 1
1 {} {0.214107013563 0.240433251311 0.476638693343} H2 9 1
1 {} {0.660121876184 0.261410177025 0.323944258676} H3 10 1
1 {} {0.685796887297 0.346654865497 0.548914521686} H4 11 1
1 {} {0.12518611521 0.51480286127 0.719516800014} H5 12 1
1 {} {0.339554301863 0.559225340538 0.834066497055} H6 13 1
1 {} {0.389257041439 0.694662345367 0.378823910862} H7 14 1
1 {} {0.600717480808 0.693776195968 0.269677030239} H8 15 1
1 {} {0.585090480778 0.688781882801 0.520593097778} H10 16 1
8 {} {0.314128278419 0.619453359318 0.584288934147} O 17 1
1 {} {0.31312244471 0.719207122398 0.590975409367} 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