# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2013--Ko-W-S-Lee-B-J--V-Pd-Y
# implementation = 2013--Ko-W-S--V-Pd-Y--LAMMPS--ipr1
# composition = PdV2
# 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 2022-05-24

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  4.517602803e+02 
1.06  4.214753210e+02 
1.08  3.930952686e+02 
1.10  3.665044262e+02 
1.12  3.415939605e+02 
1.14  3.182615023e+02 
1.16  2.964107692e+02 
1.18  2.759512108e+02 
1.20  2.567976739e+02 
1.22  2.388700866e+02 
1.24  2.220931612e+02 
1.26  2.063961138e+02 
1.28  1.917124004e+02 
1.30  1.779794674e+02 
1.32  1.651385177e+02 
1.34  1.531342895e+02 
1.36  1.419148480e+02 
1.38  1.314313892e+02 
1.40  1.216380554e+02 
1.42  1.124917609e+02 
1.44  1.039520280e+02 
1.46  9.598083294e+01 
1.48  8.854245990e+01 
1.50  8.160336441e+01 
1.52  7.513204418e+01 
1.54  6.909891770e+01 
1.56  6.347620980e+01 
1.58  5.823784397e+01 
1.60  5.335934098e+01 
1.62  4.881772337e+01 
1.64  4.459142567e+01 
1.66  4.066020971e+01 
1.68  3.700508507e+01 
1.70  3.360823414e+01 
1.72  3.045294154e+01 
1.74  2.752352781e+01 
1.76  2.480528691e+01 
1.78  2.228442749e+01 
1.80  1.994801758e+01 
1.82  1.778393255e+01 
1.84  1.578080622e+01 
1.86  1.392798478e+01 
1.88  1.221548353e+01 
1.90  1.063394611e+01 
1.92  9.174606230e+00 
1.94  7.829251651e+00 
1.96  6.590190291e+00 
1.98  5.450218398e+00 
2.00  4.402590597e+00 
2.02  3.440991742e+00 
2.04  2.559510455e+00 
2.06  1.752614250e+00 
2.08  1.015126151e+00 
2.10  3.422027240e-01 
2.12 -2.706865770e-01 
2.14 -8.277788107e-01 
2.16 -1.333035781e+00 
2.18 -1.790161166e+00 
2.20 -2.202616610e+00 
2.22 -2.573636838e+00 
2.24 -2.906243854e+00 
2.26 -3.203260276e+00 
2.28 -3.467321860e+00 
2.30 -3.700889256e+00 
2.32 -3.906259050e+00 
2.34 -4.085574132e+00 
2.36 -4.240833423e+00 
2.38 -4.373901013e+00 
2.40 -4.486514733e+00 
2.42 -4.580294196e+00 
2.44 -4.656748357e+00 
2.46 -4.717282588e+00 
2.48 -4.763205327e+00 
2.50 -4.795734317e+00 
2.52 -4.816002448e+00 
2.54 -4.825063248e+00 
2.56 -4.823896022e+00 
2.58 -4.813410681e+00 
2.60 -4.794452260e+00 
2.62 -4.767805162e+00 
2.64 -4.734197128e+00 
2.66 -4.694302968e+00 
2.68 -4.648748047e+00 
2.70 -4.598111563e+00 
2.72 -4.542929606e+00 
2.74 -4.483698037e+00 
2.76 -4.420875175e+00 
2.78 -4.354884319e+00 
2.80 -4.286116110e+00 
2.82 -4.214930743e+00 
2.84 -4.141660040e+00 
2.86 -4.066609387e+00 
2.88 -3.990059553e+00 
2.90 -3.912268395e+00 
2.92 -3.833472450e+00 
2.94 -3.753888426e+00 
2.96 -3.673714536e+00 
2.98 -3.593125562e+00 
3.00 -3.512274962e+00 
3.02 -3.431352142e+00 
3.04 -3.350473346e+00 
3.06 -3.269762852e+00 
3.08 -3.189333261e+00 
3.10 -3.109286395e+00 
3.12 -3.029714146e+00 
3.14 -2.950699265e+00 
3.16 -2.872316121e+00 
3.18 -2.794631412e+00 
3.20 -2.717704830e+00 
3.22 -2.641589711e+00 
3.24 -2.566333634e+00 
3.26 -2.491979003e+00 
3.28 -2.418563597e+00 
3.30 -2.346121100e+00 
3.32 -2.274681607e+00 
3.34 -2.204272107e+00 
3.36 -2.134916951e+00 
3.38 -2.066638298e+00 
3.40 -1.999456544e+00 
3.42 -1.933390728e+00 
3.44 -1.868458928e+00 
3.46 -1.804678621e+00 
3.48 -1.742067029e+00 
3.50 -1.680641431e+00 
3.52 -1.620419443e+00 
3.54 -1.561419268e+00 
3.56 -1.503659884e+00 
3.58 -1.447161201e+00 
3.60 -1.391944149e+00 
3.62 -1.338030699e+00 
3.64 -1.285443816e+00 
3.66 -1.234207332e+00 
3.68 -1.184345728e+00 
3.70 -1.135883831e+00 
3.72 -1.088846420e+00 
3.74 -1.043257742e+00 
3.76 -9.991409466e-01 
3.78 -9.565174440e-01 
3.80 -9.154062108e-01 
3.82 -8.758230542e-01 
3.84 -8.377798639e-01 
3.86 -8.012838786e-01 
3.88 -7.663369984e-01 
3.90 -7.329351747e-01 
3.92 -7.010679103e-01 
3.94 -6.707178977e-01 
3.96 -6.418608213e-01 
3.98 -6.144653409e-01 
4.00 -5.884932667e-01 
4.02 -5.638999266e-01 
4.04 -5.406347184e-01 
4.06 -5.186418265e-01 
4.08 -4.978610804e-01 
4.10 -4.782289186e-01 
4.12 -4.596794229e-01 
4.14 -4.421453814e-01 
4.16 -4.255593407e-01 
4.18 -4.098546085e-01 
4.20 -3.949661742e-01 
4.22 -3.808315185e-01 
4.24 -3.673912910e-01 
4.26 -3.545898433e-01 
4.28 -3.423756111e-01 
4.30 -3.307013466e-01 
4.32 -3.195242099e-01 
4.34 -3.088057323e-01 
4.36 -2.985116695e-01 
4.38 -2.886117645e-01 
4.40 -2.790794432e-01 
4.42 -2.698914639e-01 
4.44 -2.610275422e-01 
4.46 -2.524699692e-01 
4.48 -2.442032407e-01 
4.50 -2.362137084e-01 
4.52 -2.284892636e-01 
4.54 -2.210190576e-01 
4.56 -2.137932636e-01 
4.58 -2.068028770e-01 
4.60 -2.000395544e-01 
4.62 -1.934954863e-01 
4.64 -1.871632983e-01 
4.66 -1.810359776e-01 
4.68 -1.751068180e-01 
4.70 -1.693693803e-01 
4.72 -1.638174634e-01 
4.74 -1.584450842e-01 
4.76 -1.532464619e-01 
4.78 -1.482160069e-01 
4.80 -1.433483122e-01 
4.82 -1.386381453e-01 
4.84 -1.340804426e-01 
4.86 -1.296703031e-01 
4.88 -1.254029832e-01 
4.90 -1.212738919e-01 
4.92 -1.172785853e-01 
4.94 -1.134127625e-01 
4.96 -1.096722607e-01 
4.98 -1.060530510e-01 
5.00 -1.025512337e-01 
5.02 -9.916303496e-02 
5.04 -9.588480182e-02 
5.06 -9.271299901e-02 
5.08 -8.964420484e-02 
5.10 -8.667510765e-02 
5.12 -8.379637060e-02 
5.14 -8.060038329e-02 
5.16 -7.541720812e-02 
5.18 -6.687112440e-02 
5.20 -6.072925245e-02 
5.22 -5.874550502e-02 
5.24 -5.682513706e-02 
5.26 -5.496614595e-02 
5.28 -5.316659274e-02 
5.30 -5.142460010e-02 
5.32 -4.973835028e-02 
5.34 -4.810608323e-02 
5.36 -4.652609465e-02 
5.38 -4.499673425e-02 
5.40 -4.351640396e-02 
5.42 -4.208355625e-02 
5.44 -4.069669249e-02 
5.46 -3.935436138e-02 
5.48 -3.805515742e-02 
5.50 -3.679771941e-02 
5.52 -3.558072905e-02 
5.54 -3.440290955e-02 
5.56 -3.326302431e-02 
5.58 -3.215987560e-02 
5.60 -3.109230332e-02 
5.62 -3.005918384e-02 
5.64 -2.905942876e-02 
5.66 -2.809198386e-02 
5.68 -2.715582794e-02 
5.70 -2.624997184e-02 
5.72 -2.537345737e-02 
5.74 -2.452535632e-02 
5.76 -2.370476955e-02 
5.78 -2.291082606e-02 
5.80 -2.214268207e-02 
5.82 -2.139952019e-02 
5.84 -2.068054856e-02 
5.86 -1.998500008e-02 
5.88 -1.931213160e-02 
5.90 -1.866122319e-02 
5.92 -1.798071801e-02 
5.94 -1.664301356e-02 
5.96 -1.316940900e-02 
5.98 -6.370735927e-03 
6.00 -9.917514752e-24