./iterations/neb0_image02_iter31.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_image02
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Freeze int 0
Name string {{}}
Site int 1
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WyckoffPosition int -1
@end
@data
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14 {} {0.0884462304135 0.873807896638 0.463354090486} 7 Si12 28 0.0 1
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