iterations/neb0_image06_iter151.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
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@data
8 {} {0.47196672253 0.232758451313 0.483532619814} O1 1 1
14 {} {0.333053845492 0.221415720742 0.568083903198} Si1 2 1
14 {} {0.608856575137 0.317494608817 0.45100917} Si2 3 1
8 {} {0.572907494205 0.475164659763 0.4387579979} O2 4 1
8 {} {0.30638165451 0.353267366262 0.664707913754} O3 5 1
14 {} {0.28376900744 0.515797867229 0.65944664667} Si3 6 1
14 {} {0.484551700127 0.61069338845 0.446066961708} Si4 7 1
1 {} {0.333907027534 0.105402522775 0.661850949203} H1 8 1
1 {} {0.223170927391 0.213366446234 0.46773803065} H2 9 1
1 {} {0.661128452477 0.278376451551 0.31917578473} H3 10 1
1 {} {0.705246709372 0.303985616053 0.561735894306} H4 11 1
1 {} {0.138863352929 0.538672206153 0.696994462358} H5 12 1
1 {} {0.372107539301 0.587399286147 0.754044189192} H6 13 1
1 {} {0.395582639332 0.81467806641 0.508230233022} H7 14 1
1 {} {0.472654367691 0.660511034705 0.30687322822} H8 15 1
1 {} {0.582311382306 0.699412387249 0.521063144981} H10 16 1
8 {} {0.33176574633 0.57069179757 0.51085599286} O 17 1
1 {} {0.331860826013 0.77342996345 0.510890885309} 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
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	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
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@data
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14 6 0 0
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@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
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@data
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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
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	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end