# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2024--Hayakawa-S-Xu-H--Fe-Ni-Al
# implementation = 2024--Hayakawa-S--Fe-Ni-Al--LAMMPS--ipr1
# composition = AlNi2
# 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  nan             
0.98  nan             
1.00  nan             
1.02  4.206843233e+02 
1.04  3.834236996e+02 
1.06  3.503757137e+02 
1.08  3.209833841e+02 
1.10  2.947566363e+02 
1.12  2.713317789e+02 
1.14  2.504801115e+02 
1.16  2.318683362e+02 
1.18  2.152111827e+02 
1.20  2.002625361e+02 
1.22  1.868075043e+02 
1.24  1.746585002e+02 
1.26  1.636528269e+02 
1.28  1.536645025e+02 
1.30  1.445558839e+02 
1.32  1.360671665e+02 
1.34  1.272622420e+02 
1.36  1.183422210e+02 
1.38  1.096653704e+02 
1.40  1.014805792e+02 
1.42  9.387430915e+01 
1.44  8.679186428e+01 
1.46  8.017852699e+01 
1.48  7.398602628e+01 
1.50  6.817223729e+01 
1.52  6.270154229e+01 
1.54  5.754449362e+01 
1.56  5.267648841e+01 
1.58  4.807678127e+01 
1.60  4.372806066e+01 
1.62  3.961638052e+01 
1.64  3.573124843e+01 
1.66  3.206513674e+01 
1.68  2.861249377e+01 
1.70  2.536905924e+01 
1.72  2.233146949e+01 
1.74  1.949686633e+01 
1.76  1.686273939e+01 
1.78  1.442681899e+01 
1.80  1.218687824e+01 
1.82  1.014035480e+01 
1.84  8.277991167e+00 
1.86  6.592077733e+00 
1.88  5.078289001e+00 
1.90  3.730544924e+00 
1.92  2.541109649e+00 
1.94  1.500917015e+00 
1.96  6.000592083e-01 
1.98 -1.720055073e-01 
2.00 -8.263474355e-01 
2.02 -1.374541147e+00 
2.04 -1.828396509e+00 
2.06 -2.199552991e+00 
2.08 -2.499184147e+00 
2.10 -2.737740124e+00 
2.12 -2.937743883e+00 
2.14 -3.116375517e+00 
2.16 -3.275330069e+00 
2.18 -3.416231948e+00 
2.20 -3.540604262e+00 
2.22 -3.649764706e+00 
2.24 -3.744816497e+00 
2.26 -3.826670790e+00 
2.28 -3.896092268e+00 
2.30 -3.953755372e+00 
2.32 -4.000249079e+00 
2.34 -4.036069105e+00 
2.36 -4.061624249e+00 
2.38 -4.077294445e+00 
2.40 -4.083461619e+00 
2.42 -4.080532370e+00 
2.44 -4.068958458e+00 
2.46 -4.049240198e+00 
2.48 -4.021926304e+00 
2.50 -3.987612381e+00 
2.52 -3.946939285e+00 
2.54 -3.900592722e+00 
2.56 -3.849305495e+00 
2.58 -3.793858877e+00 
2.60 -3.735062594e+00 
2.62 -3.673702666e+00 
2.64 -3.610471127e+00 
2.66 -3.545949518e+00 
2.68 -3.480606152e+00 
2.70 -3.414801947e+00 
2.72 -3.348833730e+00 
2.74 -3.282972116e+00 
2.76 -3.217462784e+00 
2.78 -3.152531377e+00 
2.80 -3.088391393e+00 
2.82 -3.025235696e+00 
2.84 -2.963212008e+00 
2.86 -2.902415988e+00 
2.88 -2.842890534e+00 
2.90 -2.784628967e+00 
2.92 -2.727582439e+00 
2.94 -2.671671517e+00 
2.96 -2.616802148e+00 
2.98 -2.562881769e+00 
3.00 -2.509833777e+00 
3.02 -2.457610132e+00 
3.04 -2.406201701e+00 
3.06 -2.355645670e+00 
3.08 -2.306010790e+00 
3.10 -2.257360086e+00 
3.12 -2.209743216e+00 
3.14 -2.163198070e+00 
3.16 -2.117753883e+00 
3.18 -2.073435546e+00 
3.20 -2.030262418e+00 
3.22 -1.988238562e+00 
3.24 -1.947352568e+00 
3.26 -1.907580761e+00 
3.28 -1.868890605e+00 
3.30 -1.831244170e+00 
3.32 -1.794601526e+00 
3.34 -1.758924002e+00 
3.36 -1.724177232e+00 
3.38 -1.690333942e+00 
3.40 -1.657376466e+00 
3.42 -1.625296806e+00 
3.44 -1.594083596e+00 
3.46 -1.563713321e+00 
3.48 -1.534151114e+00 
3.50 -1.505351837e+00 
3.52 -1.477260948e+00 
3.54 -1.449816852e+00 
3.56 -1.422960023e+00 
3.58 -1.396637773e+00 
3.60 -1.370803496e+00 
3.62 -1.345415579e+00 
3.64 -1.320437195e+00 
3.66 -1.295836135e+00 
3.68 -1.271584583e+00 
3.70 -1.247658860e+00 
3.72 -1.224039143e+00 
3.74 -1.200709146e+00 
3.76 -1.177655799e+00 
3.78 -1.154868891e+00 
3.80 -1.132340722e+00 
3.82 -1.110065748e+00 
3.84 -1.088040220e+00 
3.86 -1.066261845e+00 
3.88 -1.044729582e+00 
3.90 -1.023443340e+00 
3.92 -1.002403683e+00 
3.94 -9.816115270e-01 
3.96 -9.610678579e-01 
3.98 -9.407734700e-01 
4.00 -9.207287314e-01 
4.02 -9.009333624e-01 
4.04 -8.813862538e-01 
4.06 -8.620853098e-01 
4.08 -8.430273132e-01 
4.10 -8.242077820e-01 
4.12 -8.056208978e-01 
4.14 -7.872596613e-01 
4.16 -7.691162582e-01 
4.18 -7.511826997e-01 
4.20 -7.334512349e-01 
4.22 -7.159143587e-01 
4.24 -6.985652977e-01 
4.26 -6.813953187e-01 
4.28 -6.643974031e-01 
4.30 -6.475673784e-01 
4.32 -6.309035352e-01 
4.34 -6.144004568e-01 
4.36 -5.980456112e-01 
4.38 -5.818316896e-01 
4.40 -5.657611492e-01 
4.42 -5.498488969e-01 
4.44 -5.341094162e-01 
4.46 -5.185594612e-01 
4.48 -5.031912637e-01 
4.50 -4.879915810e-01 
4.52 -4.729504206e-01 
4.54 -4.580718760e-01 
4.56 -4.433671407e-01 
4.58 -4.288516113e-01 
4.60 -4.145427365e-01 
4.62 -4.004583887e-01 
4.64 -3.866157248e-01 
4.66 -3.730312384e-01 
4.68 -3.597187756e-01 
4.70 -3.466875289e-01 
4.72 -3.339456108e-01 
4.74 -3.214968385e-01 
4.76 -3.093374364e-01 
4.78 -2.974821456e-01 
4.80 -2.859394143e-01 
4.82 -2.747112090e-01 
4.84 -2.637955156e-01 
4.86 -2.531880203e-01 
4.88 -2.428832132e-01 
4.90 -2.328750920e-01 
4.92 -2.231575551e-01 
4.94 -2.137246207e-01 
4.96 -2.045705835e-01 
4.98 -1.956900364e-01 
5.00 -1.870778634e-01 
5.02 -1.787293280e-01 
5.04 -1.706399689e-01 
5.06 -1.628057056e-01 
5.08 -1.552228229e-01 
5.10 -1.478879332e-01 
5.12 -1.407981458e-01 
5.14 -1.339509433e-01 
5.16 -1.273444724e-01 
5.18 -1.209771782e-01 
5.20 -1.148481262e-01 
5.22 -1.089559821e-01 
5.24 -1.032988373e-01 
5.26 -9.787436539e-02 
5.28 -9.267882513e-02 
5.30 -8.770884198e-02 
5.32 -8.296060628e-02 
5.34 -7.843081892e-02 
5.36 -7.411488905e-02 
5.38 -7.000589161e-02 
5.40 -6.609553334e-02 
5.42 -6.237744566e-02 
5.44 -5.884932223e-02 
5.46 -5.550986807e-02 
5.48 -5.236147534e-02 
5.50 -4.939200924e-02 
5.52 -4.658661718e-02 
5.54 -4.392051838e-02 
5.56 -4.138023546e-02 
5.58 -3.895969691e-02 
5.60 -3.666091448e-02 
5.62 -3.451147681e-02 
5.64 -3.251919914e-02 
5.66 -3.069839201e-02 
5.68 -2.907103993e-02 
5.70 -2.760291331e-02 
5.72 -2.623563085e-02 
5.74 -2.492981603e-02 
5.76 -2.366069612e-02 
5.78 -2.239899727e-02 
5.80 -2.112657869e-02 
5.82 -1.983902941e-02 
5.84 -1.853927342e-02 
5.86 -1.723256181e-02 
5.88 -1.592686763e-02 
5.90 -1.463474930e-02 
5.92 -1.337306165e-02 
5.94 -1.214377324e-02 
5.96 -1.095017933e-02 
5.98 -9.797289476e-03 
6.00 -8.690903669e-03