./iterations/neb0_image04_iter210.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.465278852335 0.256545540083 0.487990831391} O1 1 1
14 {} {0.325537819962 0.22905381867 0.569806696086} Si1 2 1
14 {} {0.593186004575 0.348940278379 0.444994081618} Si2 3 1
8 {} {0.548926306335 0.502840795285 0.420158859197} O2 4 1
8 {} {0.290547795526 0.348556432638 0.676999933736} O3 5 1
14 {} {0.248605012279 0.505533352264 0.704636250385} Si3 6 1
14 {} {0.570290004902 0.664429054501 0.399629299793} Si4 7 1
1 {} {0.341915619375 0.103645811718 0.648611629383} H1 8 1
1 {} {0.216640496582 0.216676784464 0.46879172549} H2 9 1
1 {} {0.647342936294 0.291598609627 0.31927442407} H3 10 1
1 {} {0.696173895557 0.344826454136 0.552619530516} H4 11 1
1 {} {0.105525973681 0.515771618886 0.749649928691} H5 12 1
1 {} {0.343706167206 0.557232387209 0.807521824916} H6 13 1
1 {} {0.441306422433 0.732535827783 0.42498842714} H7 14 1
1 {} {0.612801744586 0.691375099101 0.260027866474} H8 15 1
1 {} {0.676626696856 0.713982487985 0.492233991382} H10 16 1
8 {} {0.268779359821 0.584761754839 0.559972216245} O 17 1
1 {} {0.216894899664 0.66421175131 0.543150634894} 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