iterations/neb0_image05_iter186.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 {} {0.473155025808 0.238861145828 0.487066211252} O1 1 1
14 {} {0.328250384244 0.225864842912 0.564229007892} Si1 2 1
14 {} {0.598830000006 0.342079307327 0.465338588918} Si2 3 1
8 {} {0.547988588793 0.496780051006 0.491139662823} O2 4 1
8 {} {0.288771982237 0.363099543959 0.64389670539} O3 5 1
14 {} {0.251166792265 0.52168025195 0.664673124679} Si3 6 1
14 {} {0.557107791752 0.652726556722 0.438292958005} Si4 7 1
1 {} {0.339262869597 0.114555038586 0.663683848097} H1 8 1
1 {} {0.22446917756 0.199694409675 0.459859692238} H2 9 1
1 {} {0.645535463373 0.331522869355 0.323694350115} H3 10 1
1 {} {0.706919945835 0.312977320143 0.564316214962} H4 11 1
1 {} {0.13426914111 0.523181450532 0.75582296859} H5 12 1
1 {} {0.368602629256 0.594918961488 0.719154246587} H6 13 1
1 {} {0.462734829901 0.72556713434 0.527682007685} H7 14 1
1 {} {0.51673077177 0.66781592824 0.296130956385} H8 15 1
1 {} {0.696516641278 0.704722463925 0.45255371018} H10 16 1
8 {} {0.206491303263 0.591440396822 0.521230786237} O 17 1
1 {} {0.263282673065 0.665030281473 0.492293099048} 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