./iterations/neb0_image05_iter289.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 {} {0.469028027657 0.28228818128 0.494025265994} O1 1 1
14 {} {0.326084954154 0.236297861579 0.558489534222} Si1 2 1
14 {} {0.61744635286 0.349040527254 0.474497209358} Si2 3 1
8 {} {0.613430184171 0.504260558004 0.528450288007} O2 4 1
8 {} {0.245969881471 0.365663369765 0.621231896422} O3 5 1
14 {} {0.229348144557 0.52669914263 0.648290823847} Si3 6 1
14 {} {0.57987872351 0.654324017245 0.466811814043} Si4 7 1
1 {} {0.346088736096 0.139658015029 0.670069605878} H1 8 1
1 {} {0.243566086451 0.178911098677 0.448036332252} H2 9 1
1 {} {0.64678200303 0.34968858164 0.330126468096} H3 10 1
1 {} {0.714686558704 0.273784162169 0.557371817096} H4 11 1
1 {} {0.12234835341 0.555386586925 0.746846009194} H5 12 1
1 {} {0.361718518129 0.565698435905 0.703004017545} H6 13 1
1 {} {0.549034562464 0.74644241516 0.578713161827} H7 14 1
1 {} {0.462157769819 0.647367859147 0.376467255839} H8 15 1
1 {} {0.695798462369 0.702107969413 0.386902368147} H10 16 1
8 {} {0.183355226337 0.612861524808 0.515348212413} O 17 1
1 {} {0.203363532972 0.582037858996 0.42637616693} 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