iterations/neb0_image05_iter188.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.473262851834 0.239481726033 0.487155360245} O1 1 1
14 {} {0.327986205946 0.225736278432 0.564131438227} Si1 2 1
14 {} {0.599207474343 0.342438314328 0.465918384377} Si2 3 1
8 {} {0.549174921291 0.497267557756 0.492772706744} O2 4 1
8 {} {0.287290257777 0.363128895225 0.643259885143} O3 5 1
14 {} {0.250208351259 0.521686077426 0.664595366406} Si3 6 1
14 {} {0.558024240178 0.652701526644 0.43869576365} Si4 7 1
1 {} {0.339373733805 0.114290428768 0.663743811342} H1 8 1
1 {} {0.224432167262 0.198955893456 0.459497638215} H2 9 1
1 {} {0.645102550639 0.333374862821 0.323765418385} H3 10 1
1 {} {0.707438186788 0.312459040364 0.564606622272} H4 11 1
1 {} {0.134105721562 0.522887290507 0.75709423001} H5 12 1
1 {} {0.369007697284 0.595707792351 0.716811786418} H6 13 1
1 {} {0.464556582015 0.724549449608 0.530155114442} H7 14 1
1 {} {0.516555431537 0.667949180542 0.296766062307} H8 15 1
1 {} {0.698243745701 0.70485369318 0.45008658088} H10 16 1
8 {} {0.203383850019 0.591945473229 0.521246786686} O 17 1
1 {} {0.262732042091 0.66310447765 0.49075518689} 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