# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2023--Daw-M-S-Chandross-M--fictional-spread-alloy
# implementation = 2023--Daw-M-S--fictional-spread-alloy--LAMMPS--ipr1
# composition = A2B
# 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 2026-08-31

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  2.848127258e+06 
0.82  2.568118485e+06 
0.84  2.314588994e+06 
0.86  2.084540604e+06 
0.88  1.875383605e+06 
0.90  1.684837223e+06 
0.92  1.510883880e+06 
0.94  1.351804682e+06 
0.96  1.206076051e+06 
0.98  1.072362817e+06 
1.00  9.494835367e+05 
1.02  8.363675608e+05 
1.04  7.320965656e+05 
1.06  6.358595975e+05 
1.08  5.469226884e+05 
1.10  4.646224453e+05 
1.12  3.883674485e+05 
1.14  3.176295095e+05 
1.16  2.521160745e+05 
1.18  1.954474947e+05 
1.20  1.515010495e+05 
1.22  1.176647981e+05 
1.24  9.155414962e+04 
1.26  7.135835582e+04 
1.28  5.570653436e+04 
1.30  4.355322822e+04 
1.32  3.409882075e+04 
1.34  2.673042823e+04 
1.36  2.097819355e+04 
1.38  1.647948900e+04 
1.40  1.295595628e+04 
1.42  1.019324123e+04 
1.44  8.024542189e+03 
1.46  6.320279228e+03 
1.48  4.979933424e+03 
1.50  3.925096639e+03 
1.52  3.094482141e+03 
1.54  2.440100768e+03 
1.56  1.924299918e+03 
1.58  1.517497443e+03 
1.60  1.196543487e+03 
1.62  9.432646893e+02 
1.64  7.433615282e+02 
1.66  5.855861028e+02 
1.68  4.610272719e+02 
1.70  3.626920241e+02 
1.72  2.850762910e+02 
1.74  2.238085647e+02 
1.76  1.754636893e+02 
1.78  1.373357731e+02 
1.80  1.072818004e+02 
1.82  8.360364666e+01 
1.84  6.495112680e+01 
1.86  5.026503889e+01 
1.88  3.870943421e+01 
1.90  2.962247804e+01 
1.92  2.248133215e+01 
1.94  1.687224491e+01 
1.96  1.246771286e+01 
1.98  9.008407093e+00 
2.00  6.291457900e+00 
2.02  4.156993528e+00 
2.04  2.479030077e+00 
2.06  1.158388433e+00 
2.08  1.174403218e-01 
2.10 -7.046184155e-01 
2.12 -1.355351320e+00 
2.14 -1.871925896e+00 
2.16 -2.283321751e+00 
2.18 -2.612082749e+00 
2.20 -2.875706554e+00 
2.22 -3.087744798e+00 
2.24 -3.258672530e+00 
2.26 -3.396573899e+00 
2.28 -3.507681662e+00 
2.30 -3.596800562e+00 
2.32 -3.667638596e+00 
2.34 -3.723035174e+00 
2.36 -3.765153688e+00 
2.38 -3.795705519e+00 
2.40 -3.816074164e+00 
2.42 -3.827373948e+00 
2.44 -3.830517390e+00 
2.46 -3.826241784e+00 
2.48 -3.815107778e+00 
2.50 -3.797671035e+00 
2.52 -3.774434028e+00 
2.54 -3.745850802e+00 
2.56 -3.712320258e+00 
2.58 -3.674235576e+00 
2.60 -3.631974993e+00 
2.62 -3.585900882e+00 
2.64 -3.536362064e+00 
2.66 -3.483695118e+00 
2.68 -3.428225018e+00 
2.70 -3.370265301e+00 
2.72 -3.310117952e+00 
2.74 -3.248073123e+00 
2.76 -3.184408783e+00 
2.78 -3.119390360e+00 
2.80 -3.053270421e+00 
2.82 -2.986288408e+00 
2.84 -2.918670468e+00 
2.86 -2.850629358e+00 
2.88 -2.782346862e+00 
2.90 -2.713912913e+00 
2.92 -2.645484438e+00 
2.94 -2.577220165e+00 
2.96 -2.509266713e+00 
2.98 -2.441758952e+00 
3.00 -2.374820403e+00 
3.02 -2.308563664e+00 
3.04 -2.243090871e+00 
3.06 -2.178482870e+00 
3.08 -2.114717781e+00 
3.10 -2.051844285e+00 
3.12 -1.989928444e+00 
3.14 -1.929028668e+00 
3.16 -1.869196168e+00 
3.18 -1.810475409e+00 
3.20 -1.752904539e+00 
3.22 -1.696515818e+00 
3.24 -1.641336024e+00 
3.26 -1.587386846e+00 
3.28 -1.534685261e+00 
3.30 -1.483243895e+00 
3.32 -1.433071369e+00 
3.34 -1.384172625e+00 
3.36 -1.336549233e+00 
3.38 -1.290199692e+00 
3.40 -1.245119698e+00 
3.42 -1.201302412e+00 
3.44 -1.158738704e+00 
3.46 -1.117417380e+00 
3.48 -1.077325400e+00 
3.50 -1.038448076e+00 
3.52 -1.000769264e+00 
3.54 -9.642715350e-01 
3.56 -9.289363365e-01 
3.58 -8.947439914e-01 
3.60 -8.616277797e-01 
3.62 -8.295324520e-01 
3.64 -7.984399717e-01 
3.66 -7.683317177e-01 
3.68 -7.391885805e-01 
3.70 -7.109910530e-01 
3.72 -6.837193121e-01 
3.74 -6.573532949e-01 
3.76 -6.318727675e-01 
3.78 -6.072573892e-01 
3.80 -5.834867691e-01 
3.82 -5.605405195e-01 
3.84 -5.383983031e-01 
3.86 -5.170398756e-01 
3.88 -4.964451250e-01 
3.90 -4.765941062e-01 
3.92 -4.574670714e-01 
3.94 -4.390444987e-01 
3.96 -4.213071156e-01 
3.98 -4.042359210e-01 
4.00 -3.878122038e-01 
4.02 -3.720175591e-01 
4.04 -3.568339021e-01 
4.06 -3.422431762e-01 
4.08 -3.281903313e-01 
4.10 -3.146339967e-01 
4.12 -3.015599353e-01 
4.14 -2.889541980e-01 
4.16 -2.768031278e-01 
4.18 -2.650933624e-01 
4.20 -2.538118363e-01 
4.22 -2.429457804e-01 
4.24 -2.324827231e-01 
4.26 -2.224104899e-01 
4.28 -2.127172025e-01 
4.30 -2.033912767e-01 
4.32 -1.944212951e-01 
4.34 -1.857960939e-01 
4.36 -1.775051322e-01 
4.38 -1.695381018e-01 
4.40 -1.618849257e-01 
4.42 -1.545357654e-01 
4.44 -1.474810274e-01 
4.46 -1.407113662e-01 
4.48 -1.342176857e-01 
4.50 -1.279911399e-01 
4.52 -1.220231311e-01 
4.54 -1.163053081e-01 
4.56 -1.108295632e-01 
4.58 -1.055880282e-01 
4.60 -1.005730702e-01 
4.62 -9.577728714e-02 
4.64 -9.119350268e-02 
4.66 -8.681476090e-02 
4.68 -8.263432097e-02 
4.70 -7.863695115e-02 
4.72 -7.479245656e-02 
4.74 -7.109461915e-02 
4.76 -6.753886164e-02 
4.78 -6.412073648e-02 
4.80 -6.083592300e-02 
4.82 -5.768022474e-02 
4.84 -5.464956660e-02 
4.86 -5.173999209e-02 
4.88 -4.894766057e-02 
4.90 -4.626884448e-02 
4.92 -4.369992663e-02 
4.94 -4.123739746e-02 
4.96 -3.887785237e-02 
4.98 -3.661798907e-02 
5.00 -3.445460494e-02 
5.02 -3.238459476e-02 
5.04 -3.040494800e-02 
5.06 -2.851274522e-02 
5.08 -2.670515664e-02 
5.10 -2.497943965e-02 
5.12 -2.333293649e-02 
5.14 -2.176307179e-02 
5.16 -2.026735038e-02 
5.18 -1.884335492e-02 
5.20 -1.748874377e-02 
5.22 -1.620117160e-02 
5.24 -1.497824076e-02 
5.26 -1.381791535e-02 
5.28 -1.271822561e-02 
5.30 -1.167724571e-02 
5.32 -1.069309551e-02 
5.34 -9.763941704e-03 
5.36 -8.887998724e-03 
5.38 -8.063529206e-03 
5.40 -7.288844210e-03 
5.42 -6.562303179e-03 
5.44 -5.882313689e-03 
5.46 -5.247331017e-03 
5.48 -4.655857565e-03 
5.50 -4.106442146e-03 
5.52 -3.597679180e-03 
5.54 -3.128207802e-03 
5.56 -2.696710895e-03 
5.58 -2.301914081e-03 
5.60 -1.942584669e-03 
5.62 -1.617530568e-03 
5.64 -1.325599190e-03 
5.66 -1.065676336e-03 
5.68 -8.366850780e-04 
5.70 -6.375846441e-04 
5.72 -4.673693125e-04 
5.74 -3.250673126e-04 
5.76 -2.097397431e-04 
5.78 -1.204795071e-04 
5.80 -5.641026787e-05 
5.82 -1.668542562e-05 
5.84 -4.871186231e-07 
5.86  7.401486831e-17 
5.88  7.401486831e-17 
5.90  7.401486831e-17 
5.92  7.401486831e-17 
5.94  7.401486831e-17 
5.96  7.401486831e-17 
5.98  7.401486831e-17 
6.00  7.401486831e-17