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Table 1
Pressure PBCC and internal energy UBCC obtained for the BCC superionic phase and the differences ΔP = PFCC − PBCC and ΔU = UFCC − UBCC between the FCC and BCC superionic phases, as well as fractional differences.
| ρ (g cm−3) | T (K) | PBCC (Mbar) | ΔP (Mbar) | ΔP ∕P | UBCC (eV atom−1) | ΔU (eV atom−1) | |ΔU∕U| (%) |
|---|---|---|---|---|---|---|---|
| 7 | 6000 | 14.85 | 0.22 | 1.5% | − 685.9 | 0.03 | 0.004 |
| 15 | 6000 | 90.14 | 1.13 | 1.3% | − 668.7 | 0.52 | 0.08 |
| 20 | 6000 | 166.80 | 1.47 | 0.9% | − 656.5 | 0.66 | 0.10 |
| 25 | 6000 | 267.63 | 1.91 | 0.7% | − 643.5 | 0.76 | 0.12 |
| 40 | 11 000 | 709.97 | 0.9 | 0.13% | − 601 | 1.0 | 0.17 |
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