./iterations/neb0_image03_iter263.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.457687094953 0.267401064335 0.48714331113} O1 1 1
14 {} {0.324329424014 0.240696902522 0.578434637895} Si1 2 1
14 {} {0.587026140807 0.349770893338 0.429847939066} Si2 3 1
8 {} {0.53923893835 0.493877888377 0.369071010492} O2 4 1
8 {} {0.303595081288 0.355872946156 0.692773688378} O3 5 1
14 {} {0.252565733207 0.506364060119 0.737213878489} Si3 6 1
14 {} {0.564853759182 0.656579527528 0.364374994537} Si4 7 1
1 {} {0.341709337698 0.111029845583 0.649470985759} H1 8 1
1 {} {0.205065084994 0.238501099469 0.488091320097} H2 9 1
1 {} {0.644753313145 0.268962146248 0.319983534389} H3 10 1
1 {} {0.682545089333 0.372310853111 0.541225820301} H4 11 1
1 {} {0.103488600138 0.502784578115 0.746475594145} H5 12 1
1 {} {0.317222225526 0.540374228644 0.866209306837} H6 13 1
1 {} {0.433981118747 0.722041367907 0.338783878287} H7 14 1
1 {} {0.659151799402 0.688853496632 0.253429449115} H8 15 1
1 {} {0.623703202255 0.704664840859 0.492094114689} H10 16 1
8 {} {0.305634560995 0.622470633018 0.632320650997} O 17 1
1 {} {0.263535637279 0.629961681185 0.544113481732} 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