./iterations/neb0_image04_iter14.sci output for 745: 733-->741: H2O near HO-Si on SiO2 surface --> H-OSi + OH-Si on SiO2 surface (TSS)
Status:
running
#MD System 2.0
@Title neb0_image04
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Freeze int 0
Name string {{}}
Site int 1
Spin double 0.0
WyckoffPosition int -1
@end
@data
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14 {} {0.327895995993 0.592169151369 0.61746148291} 0 Si10 26 0.0 1
14 {} {0.111841320827 0.894877963276 0.146512900973} 7 Si11 27 0.0 1
14 {} {0.086612610827 0.874849493276 0.463493530973} 7 Si12 28 0.0 1
14 {} {0.357945350827 0.870609013276 0.228424420973} 7 Si13 29 0.0 1
14 {} {0.343821880954 0.839520100675 0.538982109719} 0 Si14 30 0.0 1
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