1MGPT multi-ion potentials: V6.1 (V, version 6.1)
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3Author: John A. Moriarty
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5Potential data files: V6.1.mgpt.parmin V6.1.mgpt.potin
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7Volume mesh for potential data, with x = (vol/vol0)**(1/3):
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9
10         x       vol/vol0    vol(au)       rws(au)    dens(g/cc)   dens/dens0
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12       1.080       1.260     117.443       3.03794       4.861       0.794
13       1.070       1.225     114.211       3.00981       4.998       0.816
14       1.060       1.191     111.038       2.98168       5.141       0.840
15       1.050       1.158     107.925       2.95355       5.289       0.864
16       1.040       1.125     104.871       2.92543       5.443       0.889
17       1.030       1.093     101.875       2.89730       5.604       0.915
18       1.020       1.061      98.936       2.86917       5.770       0.942
19       1.010       1.030      96.055       2.84104       5.943       0.971
20       1.000       1.000      93.230       2.81291       6.123       1.000
21       0.990       0.970      90.461       2.78478       6.311       1.031
22       0.980       0.941      87.747       2.75665       6.506       1.062
23       0.970       0.913      85.089       2.72852       6.709       1.096
24       0.960       0.885      82.484       2.70039       6.921       1.130
25       0.950       0.857      79.933       2.67226       7.142       1.166
26       0.940       0.831      77.435       2.64413       7.372       1.204
27       0.930       0.804      74.990       2.61601       7.612       1.243
28       0.920       0.779      72.597       2.58788       7.863       1.284
29       0.910       0.754      70.255       2.55975       8.126       1.327
30       0.900       0.729      67.965       2.53162       8.399       1.372
31       0.890       0.705      65.724       2.50349       8.686       1.419
32       0.880       0.681      63.534       2.47536       8.985       1.467
33       0.870       0.659      61.392       2.44723       9.299       1.519
34       0.860       0.636      59.300       2.41910       9.627       1.572
35       0.850       0.614      57.255       2.39097       9.971       1.628
36       0.840       0.593      55.258       2.36284      10.331       1.687
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38Corresponding T = 0 bcc pressure range: -23 GPa to 233 GPa
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41General references to MGPT potentials:
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43  J. A. Moriarty, Phys. Rev. B 42, 1609 (1990) and 49, 12431 (1994).
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45  J. A. Moriarty, L. X. Benedict, J. N. Glosli, R. Q. Hood, D. A. Orlikowski, M. V. Patel,
46  P. Soderlind, F. H. Streitz, M. Tang, and L. H. Yang, J. Mater. Res. 21, 563 (2006).
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49Specific references to V6.1 potentials:
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51  J. A. Moriarty, J. N. Glosli, R. Q. Hood, J. E. Klepeis, D. A. Orlikowski, P. Soderlind,
52  and L. H. Yang,  in TMS Annual Meeting Supplemental Proceedings Volume I: Materials
53  Processing and Properties (TMS, Warrendale, PA, 2008), p. 313.
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55  L. H. Yang, M. Tang, and J. A. Moriarty, in Dislocations in Solids, Vol. 16, edited by
56  J. P. Hirth and L. Kubin (Elsevier, Amsterdam, 2010), p. 1.
57