iterations/neb0_image03_iter77.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	{{}}
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@data
8 {} {0.467802976529 0.23313771308 0.48187491147} O1 1 1
14 {} {0.330200569615 0.237401105693 0.571706964963} Si1 2 1
14 {} {0.589412528882 0.333511624235 0.433623047058} Si2 3 1
8 {} {0.527938219098 0.477872892752 0.387526449002} O2 4 1
8 {} {0.326474046269 0.36894788501 0.669559194825} O3 5 1
14 {} {0.272008912377 0.517908701903 0.70906437031} Si3 6 1
14 {} {0.53072955478 0.642859826899 0.387322038324} Si4 7 1
1 {} {0.328073318987 0.117151784657 0.659177449055} H1 8 1
1 {} {0.213682719138 0.239533598264 0.479283083992} H2 9 1
1 {} {0.657368723673 0.269035919473 0.317579364255} H3 10 1
1 {} {0.682461973321 0.353156169721 0.54875077743} H4 11 1
1 {} {0.123800122134 0.51392836299 0.721450481687} H5 12 1
1 {} {0.336804497522 0.559763347995 0.83651732319} H6 13 1
1 {} {0.393595912374 0.697027514021 0.367390726317} H7 14 1
1 {} {0.613329691612 0.688238572007 0.272288787209} H8 15 1
1 {} {0.593688484181 0.693352521416 0.512778238954} H10 16 1
8 {} {0.316544959342 0.616125558628 0.585092648028} O 17 1
1 {} {0.306168901011 0.713564855473 0.590072150773} H14 18 1
@end
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	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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7 1 0 0
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6 3 0 0
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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
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@data
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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
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	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end