# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2026--Starikov-S-Grigorev-P-Lee-S-H-et-al--W-Mo-Nb-Zr-Ti-Ta
# implementation = 2026--Starikov-S--W-Mo-Nb-Zr-Ti-Ta--LAMMPS--ipr1
# composition = Nb2W
# 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 2025-12-17

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  9.257546058e+02 
0.98  8.137181713e+02 
1.00  7.160570859e+02 
1.02  6.313431713e+02 
1.04  5.579736438e+02 
1.06  4.943414212e+02 
1.08  4.385998198e+02 
1.10  3.890321294e+02 
1.12  3.459906947e+02 
1.14  3.083612143e+02 
1.16  2.760630125e+02 
1.18  2.474724904e+02 
1.20  2.214139083e+02 
1.22  1.990893854e+02 
1.24  1.799833864e+02 
1.26  1.630363165e+02 
1.28  1.485516831e+02 
1.30  1.358288861e+02 
1.32  1.240507263e+02 
1.34  1.132918091e+02 
1.36  1.038352159e+02 
1.38  9.608608636e+01 
1.40  8.909418700e+01 
1.42  8.212564544e+01 
1.44  7.558116270e+01 
1.46  6.962294942e+01 
1.48  6.483983326e+01 
1.50  6.056175256e+01 
1.52  5.629506039e+01 
1.54  5.238313756e+01 
1.56  4.875033524e+01 
1.58  4.534047331e+01 
1.60  4.220113874e+01 
1.62  3.940268138e+01 
1.64  3.671814322e+01 
1.66  3.411208251e+01 
1.68  3.172267778e+01 
1.70  2.951264408e+01 
1.72  2.744563114e+01 
1.74  2.552683883e+01 
1.76  2.376488478e+01 
1.78  2.226157805e+01 
1.80  2.103786993e+01 
1.82  1.967224559e+01 
1.84  1.826289680e+01 
1.86  1.696876175e+01 
1.88  1.574227745e+01 
1.90  1.454305208e+01 
1.92  1.332259803e+01 
1.94  1.205620360e+01 
1.96  1.078738353e+01 
1.98  9.622783267e+00 
2.00  8.660916620e+00 
2.02  7.926125636e+00 
2.04  7.369264435e+00 
2.06  6.743385647e+00 
2.08  5.874561939e+00 
2.10  4.971568259e+00 
2.12  4.098501077e+00 
2.14  3.272516898e+00 
2.16  2.437346748e+00 
2.18  1.661760997e+00 
2.20  9.394899823e-01 
2.22  1.351994150e-01 
2.24 -7.138559937e-01 
2.26 -1.495526932e+00 
2.28 -2.216854145e+00 
2.30 -2.880811502e+00 
2.32 -3.495801091e+00 
2.34 -4.084430493e+00 
2.36 -4.645481168e+00 
2.38 -5.147048431e+00 
2.40 -5.526956783e+00 
2.42 -5.749030129e+00 
2.44 -5.887017521e+00 
2.46 -5.959173941e+00 
2.48 -6.102877399e+00 
2.50 -6.233042929e+00 
2.52 -6.373300274e+00 
2.54 -6.516004239e+00 
2.56 -6.677896707e+00 
2.58 -6.820746505e+00 
2.60 -6.943283443e+00 
2.62 -7.023554793e+00 
2.64 -7.070486393e+00 
2.66 -7.088152755e+00 
2.68 -7.088242245e+00 
2.70 -7.080539532e+00 
2.72 -7.066388897e+00 
2.74 -7.049851522e+00 
2.76 -7.038012690e+00 
2.78 -7.032734217e+00 
2.80 -7.025773740e+00 
2.82 -7.011353137e+00 
2.84 -6.984400790e+00 
2.86 -6.946299585e+00 
2.88 -6.901872858e+00 
2.90 -6.855839745e+00 
2.92 -6.808530513e+00 
2.94 -6.755484056e+00 
2.96 -6.695540672e+00 
2.98 -6.618745246e+00 
3.00 -6.546083678e+00 
3.02 -6.493504920e+00 
3.04 -6.478653316e+00 
3.06 -6.494601345e+00 
3.08 -6.510813223e+00 
3.10 -6.498400238e+00 
3.12 -6.436725617e+00 
3.14 -6.327289008e+00 
3.16 -6.173413337e+00 
3.18 -5.982644600e+00 
3.20 -5.781150442e+00 
3.22 -5.613606295e+00 
3.24 -5.525246160e+00 
3.26 -5.488504016e+00 
3.28 -5.453107293e+00 
3.30 -5.414537555e+00 
3.32 -5.369401786e+00 
3.34 -5.316734642e+00 
3.36 -5.256466360e+00 
3.38 -5.188283553e+00 
3.40 -5.111487213e+00 
3.42 -5.024896292e+00 
3.44 -4.928657722e+00 
3.46 -4.823737871e+00 
3.48 -4.711881568e+00 
3.50 -4.601073121e+00 
3.52 -4.504240676e+00 
3.54 -4.431556253e+00 
3.56 -4.391102134e+00 
3.58 -4.379482393e+00 
3.60 -4.381855648e+00 
3.62 -4.383025681e+00 
3.64 -4.368480636e+00 
3.66 -4.334967360e+00 
3.68 -4.290001245e+00 
3.70 -4.239002294e+00 
3.72 -4.187386941e+00 
3.74 -4.136351060e+00 
3.76 -4.078606032e+00 
3.78 -4.005596777e+00 
3.80 -3.909096457e+00 
3.82 -3.787424341e+00 
3.84 -3.646266355e+00 
3.86 -3.490353103e+00 
3.88 -3.320527148e+00 
3.90 -3.140107311e+00 
3.92 -2.961611623e+00 
3.94 -2.795948083e+00 
3.96 -2.641213779e+00 
3.98 -2.492223172e+00 
4.00 -2.347494702e+00 
4.02 -2.207250470e+00 
4.04 -2.073801397e+00 
4.06 -1.951548060e+00 
4.08 -1.843306467e+00 
4.10 -1.750652622e+00 
4.12 -1.675558748e+00 
4.14 -1.620046852e+00 
4.16 -1.583339542e+00 
4.18 -1.555963062e+00 
4.20 -1.529502955e+00 
4.22 -1.504946425e+00 
4.24 -1.486436004e+00 
4.26 -1.476794627e+00 
4.28 -1.476959645e+00 
4.30 -1.485952843e+00 
4.32 -1.501441790e+00 
4.34 -1.520807260e+00 
4.36 -1.543215762e+00 
4.38 -1.568318451e+00 
4.40 -1.595689908e+00 
4.42 -1.624864761e+00 
4.44 -1.655386915e+00 
4.46 -1.686333583e+00 
4.48 -1.716330754e+00 
4.50 -1.745240885e+00 
4.52 -1.772987515e+00 
4.54 -1.799416255e+00 
4.56 -1.824321584e+00 
4.58 -1.847734342e+00 
4.60 -1.869988308e+00 
4.62 -1.890769387e+00 
4.64 -1.909570472e+00 
4.66 -1.926099868e+00 
4.68 -1.939197473e+00 
4.70 -1.946974789e+00 
4.72 -1.947295653e+00 
4.74 -1.938359912e+00 
4.76 -1.921061675e+00 
4.78 -1.897675323e+00 
4.80 -1.870712043e+00 
4.82 -1.842756198e+00 
4.84 -1.816121793e+00 
4.86 -1.793128791e+00 
4.88 -1.775416574e+00 
4.90 -1.761821306e+00 
4.92 -1.750704498e+00 
4.94 -1.741114629e+00 
4.96 -1.732154126e+00 
4.98 -1.722749083e+00 
5.00 -1.711788470e+00 
5.02 -1.699521342e+00 
5.04 -1.687612784e+00 
5.06 -1.676401017e+00 
5.08 -1.665684858e+00 
5.10 -1.654684924e+00 
5.12 -1.642739397e+00 
5.14 -1.629589620e+00 
5.16 -1.615058584e+00 
5.18 -1.599717005e+00 
5.20 -1.583976560e+00 
5.22 -1.567940556e+00 
5.24 -1.551570289e+00 
5.26 -1.534930269e+00 
5.28 -1.518225953e+00 
5.30 -1.501376561e+00 
5.32 -1.484333680e+00 
5.34 -1.467241025e+00 
5.36 -1.450395798e+00 
5.38 -1.433209954e+00 
5.40 -1.412124924e+00 
5.42 -1.386034715e+00 
5.44 -1.355073602e+00 
5.46 -1.319751618e+00 
5.48 -1.280911496e+00 
5.50 -1.239822547e+00 
5.52 -1.198198331e+00 
5.54 -1.158051862e+00 
5.56 -1.119674512e+00 
5.58 -1.081290345e+00 
5.60 -1.040456247e+00 
5.62 -9.940901708e-01 
5.64 -9.383633270e-01 
5.66 -8.684391795e-01 
5.68 -7.800987083e-01 
5.70 -6.814905076e-01 
5.72 -5.837673720e-01 
5.74 -4.954577320e-01 
5.76 -4.262797143e-01 
5.78 -3.872720918e-01 
5.80 -3.907046608e-01 
5.82 -4.391835079e-01 
5.84 -5.173827640e-01 
5.86 -6.095404135e-01 
5.88 -7.018425031e-01 
5.90 -7.816339572e-01 
5.92 -8.362600626e-01 
5.94 -8.537900716e-01 
5.96 -8.315748622e-01 
5.98 -7.762947504e-01 
6.00 -6.961439731e-01