iterations/neb0_image02_iter282.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.455027898676 0.26876369856 0.48544087846} O1 1 1
14 {} {0.324952889326 0.241022879134 0.582092061952} Si1 2 1
14 {} {0.584203835497 0.349276192601 0.428051663226} Si2 3 1
8 {} {0.537690258506 0.493811656356 0.365536593177} O2 4 1
8 {} {0.311476967517 0.358935259043 0.696947368399} O3 5 1
14 {} {0.240229765785 0.502486004605 0.734006270928} Si3 6 1
14 {} {0.565555230175 0.65597899978 0.35678416046} Si4 7 1
1 {} {0.347669095248 0.11119103719 0.651318785619} H1 8 1
1 {} {0.203478677496 0.237976170858 0.496163882538} H2 9 1
1 {} {0.642770137535 0.268054638936 0.318496263536} H3 10 1
1 {} {0.681693917385 0.373545488904 0.538281614727} H4 11 1
1 {} {0.0940499994244 0.483535573292 0.754974893792} H5 12 1
1 {} {0.310678881021 0.552317604459 0.855211496812} H6 13 1
1 {} {0.438552739661 0.721140957375 0.314781964402} H7 14 1
1 {} {0.673600491716 0.68581976532 0.257658141817} H8 15 1
1 {} {0.604442520944 0.70791884614 0.491640241794} H10 16 1
8 {} {0.252591071417 0.611748166671 0.610171009487} O 17 1
1 {} {0.341422077723 0.648995299298 0.593500390931} 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
12 5 0 0
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
4 16 5 {0 0 0} 0
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
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end