# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr
# implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1
# composition = Pd2Ta
# NOTE: These values are for static, unrelaxed structures and use the ideal
# b/a and c/a ratios for the crystal structure, not the potential-specific
# values.

# Calculations from the NIST Interatomic Potential Repository Project:
# http://www.ctcms.nist.gov/potentials/

# Table generated 2024-04-11

r    C1--CaF2--fluori 
0.50  nan             
0.52  nan             
0.54  nan             
0.56  nan             
0.58  nan             
0.60  nan             
0.62  nan             
0.64  nan             
0.66  nan             
0.68  nan             
0.70  nan             
0.72  nan             
0.74  nan             
0.76  nan             
0.78  nan             
0.80  nan             
0.82  nan             
0.84  nan             
0.86  nan             
0.88  nan             
0.90  nan             
0.92  nan             
0.94  nan             
0.96  nan             
0.98  nan             
1.00  nan             
1.02  nan             
1.04  nan             
1.06  nan             
1.08  nan             
1.10  nan             
1.12  nan             
1.14  4.577796328e+02 
1.16  4.237625091e+02 
1.18  3.924172809e+02 
1.20  3.635010700e+02 
1.22  3.367915178e+02 
1.24  3.120920967e+02 
1.26  2.892328346e+02 
1.28  2.680662817e+02 
1.30  2.484609030e+02 
1.32  2.302952057e+02 
1.34  2.134544528e+02 
1.36  1.978300299e+02 
1.38  1.833205811e+02 
1.40  1.698333247e+02 
1.42  1.572844584e+02 
1.44  1.455989837e+02 
1.46  1.347105029e+02 
1.48  1.245607146e+02 
1.50  1.150981773e+02 
1.52  1.062765174e+02 
1.54  9.805264116e+01 
1.56  9.038542306e+01 
1.58  8.323509804e+01 
1.60  7.656334028e+01 
1.62  7.033398810e+01 
1.64  6.451880900e+01 
1.66  5.908897251e+01 
1.68  5.401684511e+01 
1.70  4.930734567e+01 
1.72  4.494891380e+01 
1.74  4.091507660e+01 
1.76  3.718129122e+01 
1.78  3.372486162e+01 
1.80  3.052499004e+01 
1.82  2.756279690e+01 
1.84  2.482123176e+01 
1.86  2.228487994e+01 
1.88  1.993972768e+01 
1.90  1.777296940e+01 
1.92  1.577289681e+01 
1.94  1.392882508e+01 
1.96  1.223096715e+01 
1.98  1.067020951e+01 
2.00  9.237831188e+00 
2.02  7.925266080e+00 
2.04  6.723995359e+00 
2.06  5.625591919e+00 
2.08  4.621871385e+00 
2.10  3.705074451e+00 
2.12  2.868016775e+00 
2.14  2.104174153e+00 
2.16  1.407699921e+00 
2.18  7.733885184e-01 
2.20  1.966042655e-01 
2.22 -3.268079626e-01 
2.24 -8.006184691e-01 
2.26 -1.228307249e+00 
2.28 -1.613088580e+00 
2.30 -1.957973921e+00 
2.32 -2.266312341e+00 
2.34 -2.541408146e+00 
2.36 -2.786460675e+00 
2.38 -3.004521064e+00 
2.40 -3.198323833e+00 
2.42 -3.369757503e+00 
2.44 -3.520477368e+00 
2.46 -3.652151910e+00 
2.48 -3.766410485e+00 
2.50 -3.864804206e+00 
2.52 -3.948775121e+00 
2.54 -4.019630286e+00 
2.56 -4.078523028e+00 
2.58 -4.126446786e+00 
2.60 -4.164244508e+00 
2.62 -4.192631146e+00 
2.64 -4.212222706e+00 
2.66 -4.223980067e+00 
2.68 -4.228840417e+00 
2.70 -4.226901419e+00 
2.72 -4.218297668e+00 
2.74 -4.203207805e+00 
2.76 -4.181848961e+00 
2.78 -4.154472203e+00 
2.80 -4.121360098e+00 
2.82 -4.082827682e+00 
2.84 -4.039270448e+00 
2.86 -3.991190860e+00 
2.88 -3.939114709e+00 
2.90 -3.883582019e+00 
2.92 -3.825139904e+00 
2.94 -3.764328555e+00 
2.96 -3.701662377e+00 
2.98 -3.637610252e+00 
3.00 -3.572579473e+00 
3.02 -3.506906779e+00 
3.04 -3.440857631e+00 
3.06 -3.374632484e+00 
3.08 -3.308377362e+00 
3.10 -3.242195818e+00 
3.12 -3.176160016e+00 
3.14 -3.110319702e+00 
3.16 -3.044708749e+00 
3.18 -2.979349576e+00 
3.20 -2.914255997e+00 
3.22 -2.849435094e+00 
3.24 -2.784888595e+00 
3.26 -2.720614066e+00 
3.28 -2.656606075e+00 
3.30 -2.592857308e+00 
3.32 -2.529359582e+00 
3.34 -2.466104618e+00 
3.36 -2.403084475e+00 
3.38 -2.340291583e+00 
3.40 -2.277718397e+00 
3.42 -2.215356743e+00 
3.44 -2.153197006e+00 
3.46 -2.091227335e+00 
3.48 -2.029433050e+00 
3.50 -1.967796412e+00 
3.52 -1.906296933e+00 
3.54 -1.844912305e+00 
3.56 -1.783620039e+00 
3.58 -1.722399830e+00 
3.60 -1.661236613e+00 
3.62 -1.600124225e+00 
3.64 -1.539069498e+00 
3.66 -1.478096547e+00 
3.68 -1.417250915e+00 
3.70 -1.356603177e+00 
3.72 -1.296251533e+00 
3.74 -1.236322928e+00 
3.76 -1.176972290e+00 
3.78 -1.118379595e+00 
3.80 -1.060744695e+00 
3.82 -1.004280087e+00 
3.84 -9.492021130e-01 
3.86 -8.957212958e-01 
3.88 -8.440327153e-01 
3.90 -7.943073457e-01 
3.92 -7.466851855e-01 
3.94 -7.012707853e-01 
3.96 -6.581314624e-01 
3.98 -6.172981625e-01 
4.00 -5.787686095e-01 
4.02 -5.425121538e-01 
4.04 -5.084755921e-01 
4.06 -4.765892083e-01 
4.08 -4.467723572e-01 
4.10 -4.189380777e-01 
4.12 -3.929964344e-01 
4.14 -3.688565144e-01 
4.16 -3.464272454e-01 
4.18 -3.256173407e-01 
4.20 -3.063347808e-01 
4.22 -2.884862232e-01 
4.24 -2.719766566e-01 
4.26 -2.567094804e-01 
4.28 -2.425870517e-01 
4.30 -2.295116234e-01 
4.32 -2.173865107e-01 
4.34 -2.061173783e-01 
4.36 -1.956134515e-01 
4.38 -1.857885118e-01 
4.40 -1.765616504e-01 
4.42 -1.678577777e-01 
4.44 -1.596076710e-01 
4.46 -1.517489225e-01 
4.48 -1.442254439e-01 
4.50 -1.369872896e-01 
4.52 -1.299906454e-01 
4.54 -1.231978088e-01 
4.56 -1.165771944e-01 
4.58 -1.101033710e-01 
4.60 -1.037571240e-01 
4.62 -9.752551394e-02 
4.64 -9.140188887e-02 
4.66 -8.538579814e-02 
4.68 -7.948274879e-02 
4.70 -7.370375275e-02 
4.72 -6.806462650e-02 
4.74 -6.258503073e-02 
4.76 -5.728727031e-02 
4.78 -5.219491146e-02 
4.80 -4.733130537e-02 
4.82 -4.271813385e-02 
4.84 -3.837408898e-02 
4.86 -3.431380582e-02 
4.88 -3.054711962e-02 
4.90 -2.707868436e-02 
4.92 -2.390797050e-02 
4.94 -2.102958133e-02 
4.96 -1.843383235e-02 
4.98 -1.610748525e-02 
5.00 -1.403457360e-02 
5.02 -1.219724282e-02 
5.04 -1.057633967e-02 
5.06 -9.152432937e-03 
5.08 -7.906561537e-03 
5.10 -6.820281623e-03 
5.12 -5.876041502e-03 
5.14 -5.057435420e-03 
5.16 -4.349354000e-03 
5.18 -3.738052271e-03 
5.20 -3.211155003e-03 
5.22 -2.757616747e-03 
5.24 -2.367651105e-03 
5.26 -2.032640906e-03 
5.28 -1.745038255e-03 
5.30 -1.498261116e-03 
5.32 -1.286591152e-03 
5.34 -1.105075987e-03 
5.36 -9.494378867e-04 
5.38 -8.159899498e-04 
5.40 -7.015602574e-04 
5.42 -6.034239907e-04 
5.44 -5.192432214e-04 
5.46 -4.470138957e-04 
5.48 -3.850194328e-04 
5.50 -3.317903127e-04 
5.52 -2.860690227e-04 
5.54 -2.467797554e-04 
5.56 -2.130022859e-04 
5.58 -1.839495040e-04 
5.60 -1.589481265e-04 
5.62 -1.374221634e-04 
5.64 -1.188787644e-04 
5.66 -1.028961126e-04 
5.68 -8.911307831e-05 
5.70 -7.722038256e-05 
5.72 -6.695305156e-05 
5.74 -5.808397684e-05 
5.76 -5.041841897e-05 
5.78 -4.378931724e-05 
5.80 -3.805328688e-05 
5.82 -3.308720265e-05 
5.84 -2.878528239e-05 
5.86 -2.505659675e-05 
5.88 -2.182294233e-05 
5.90 -1.901702440e-05 
5.92 -1.658090380e-05 
5.94 -1.446466891e-05 
5.96 -1.262529974e-05 
5.98 -1.102569575e-05 
6.00 -9.633843658e-06