iterations/neb0_image08_iter75.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471712981974 0.217911284366 0.48895574542} O1 1 1
14 {} {0.334040774292 0.221019935975 0.578031017413} Si1 2 1
14 {} {0.602096764311 0.307127577891 0.443927474078} Si2 3 1
8 {} {0.556703138073 0.458716781525 0.401520358327} O2 4 1
8 {} {0.330435288483 0.353923968909 0.675331891356} O3 5 1
14 {} {0.298661696005 0.515253389176 0.67450594955} Si3 6 1
14 {} {0.503727443874 0.604967968006 0.453845784365} Si4 7 1
1 {} {0.330628470025 0.101233409599 0.664900875209} H1 8 1
1 {} {0.218322295242 0.225412816541 0.485316933918} H2 9 1
1 {} {0.663095562625 0.244247516421 0.324380644491} H3 10 1
1 {} {0.69624331343 0.316026508069 0.558859178898} H4 11 1
1 {} {0.151754863555 0.537740403749 0.665069649314} H5 12 1
1 {} {0.355994805887 0.572833342728 0.7995778344} H6 13 1
1 {} {0.333142851573 0.839222333425 0.415776794819} H7 14 1
1 {} {0.472720807417 0.683901107205 0.332623905446} H8 15 1
1 {} {0.606991761908 0.670288306595 0.539288777601} H10 16 1
8 {} {0.367142009601 0.585862214537 0.54362062472} O 17 1
1 {} {0.316671294359 0.816829112179 0.485524540216} 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
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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
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 14 6 {0 0 0} 0
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5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
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	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end