Lattice parameters of NONA crystal.
| Methods | a (Å) | b (Å) | c (Å) | α = β = γ (°) | ρ (g cm−1) |
|---|---|---|---|---|---|
| Expt. (ref. 6) | 16.822 | 11.957 | 23.097 | 90.0 | 1.82 |
| ReaxFF-lg | 16.850 | 11.977 | 23.136 | 90.0 | 1.81 |
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