# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2019--Duan-X-Xie-F-Guo-X-et-al--Ta-He
# implementation = 2019--Duan-X--Ta-He--LAMMPS--ipr1
# composition = HeTa2
# 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  5.592477664e+02 
0.94  5.110114872e+02 
0.96  4.671554710e+02 
0.98  4.274230426e+02 
1.00  3.914616468e+02 
1.02  3.585704566e+02 
1.04  3.283870416e+02 
1.06  3.007449397e+02 
1.08  2.754103648e+02 
1.10  2.520817209e+02 
1.12  2.305569132e+02 
1.14  2.107248739e+02 
1.16  1.925007816e+02 
1.18  1.757205413e+02 
1.20  1.602737526e+02 
1.22  1.460007947e+02 
1.24  1.328229951e+02 
1.26  1.207153323e+02 
1.28  1.096655979e+02 
1.30  9.957667433e+01 
1.32  9.033271926e+01 
1.34  8.187536123e+01 
1.36  7.413576466e+01 
1.38  6.703982752e+01 
1.40  6.051217889e+01 
1.42  5.453385251e+01 
1.44  4.909079722e+01 
1.46  4.416050030e+01 
1.48  3.969226774e+01 
1.50  3.562774767e+01 
1.52  3.193391979e+01 
1.54  2.858090627e+01 
1.56  2.554151764e+01 
1.58  2.279299588e+01 
1.60  2.031126229e+01 
1.62  1.807463866e+01 
1.64  1.605818327e+01 
1.66  1.421833793e+01 
1.68  1.250888250e+01 
1.70  1.092617831e+01 
1.72  9.476255247e+00 
1.74  8.164712828e+00 
1.76  6.975287504e+00 
1.78  5.886111018e+00 
1.80  4.889197949e+00 
1.82  3.977293454e+00 
1.84  3.143711128e+00 
1.86  2.382277895e+00 
1.88  1.687217744e+00 
1.90  1.053109877e+00 
1.92  4.748945941e-01 
1.94 -5.205394457e-02 
1.96 -5.318171452e-01 
1.98 -9.679698907e-01 
2.00 -1.363408749e+00 
2.02 -1.720537996e+00 
2.04 -2.041370941e+00 
2.06 -2.327687826e+00 
2.08 -2.581136900e+00 
2.10 -2.803413095e+00 
2.12 -2.996204037e+00 
2.14 -3.161295304e+00 
2.16 -3.310079030e+00 
2.18 -3.447227007e+00 
2.20 -3.568627327e+00 
2.22 -3.669521207e+00 
2.24 -3.745517629e+00 
2.26 -3.793828431e+00 
2.28 -3.814350636e+00 
2.30 -3.810758213e+00 
2.32 -3.794902173e+00 
2.34 -3.771050918e+00 
2.36 -3.741318328e+00 
2.38 -3.706428029e+00 
2.40 -3.667170076e+00 
2.42 -3.624542318e+00 
2.44 -3.579570978e+00 
2.46 -3.533166835e+00 
2.48 -3.486035286e+00 
2.50 -3.438654668e+00 
2.52 -3.391290343e+00 
2.54 -3.344036378e+00 
2.56 -3.296868079e+00 
2.58 -3.249686354e+00 
2.60 -3.202374089e+00 
2.62 -3.154797267e+00 
2.64 -3.106833895e+00 
2.66 -3.058379868e+00 
2.68 -3.009339663e+00 
2.70 -2.959633379e+00 
2.72 -2.909184785e+00 
2.74 -2.857911362e+00 
2.76 -2.805733830e+00 
2.78 -2.752545153e+00 
2.80 -2.698267648e+00 
2.82 -2.642775879e+00 
2.84 -2.585952473e+00 
2.86 -2.527676634e+00 
2.88 -2.467830178e+00 
2.90 -2.406301917e+00 
2.92 -2.342991073e+00 
2.94 -2.277809168e+00 
2.96 -2.210680284e+00 
2.98 -2.141539944e+00 
3.00 -2.070331755e+00 
3.02 -1.997009673e+00 
3.04 -1.921534642e+00 
3.06 -1.843875785e+00 
3.08 -1.764014589e+00 
3.10 -1.681958197e+00 
3.12 -1.597742187e+00 
3.14 -1.511452923e+00 
3.16 -1.423237434e+00 
3.18 -1.333325696e+00 
3.20 -1.242038814e+00 
3.22 -1.149808218e+00 
3.24 -1.057172302e+00 
3.26 -9.647729318e-01 
3.28 -8.733431096e-01 
3.30 -7.836760752e-01 
3.32 -6.965907408e-01 
3.34 -6.128894919e-01 
3.36 -5.333143851e-01 
3.38 -4.585067952e-01 
3.40 -3.889751636e-01 
3.42 -3.250742144e-01 
3.44 -2.669971664e-01 
3.46 -2.147805001e-01 
3.48 -1.683192110e-01 
3.50 -1.273892856e-01 
3.52 -9.167416975e-02 
3.54 -6.079361666e-02 
3.56 -3.432755401e-02 
3.58 -1.183878360e-02 
3.60  7.106814163e-03 
3.62  2.292988596e-02 
3.64  3.602410982e-02 
3.66  4.675415505e-02 
3.68  5.544860234e-02 
3.70  6.240219994e-02 
3.72  6.787521097e-02 
3.74  7.209480244e-02 
3.76  7.525851451e-02 
3.78  7.753668727e-02 
3.80  7.907587014e-02 
3.82  8.000098682e-02 
3.84  8.041700417e-02 
3.86  8.041312272e-02 
3.88  8.006487871e-02 
3.90  7.943599147e-02 
3.92  7.860742812e-02 
3.94  7.756869830e-02 
3.96  7.638552737e-02 
3.98  7.508931705e-02 
4.00  7.370623958e-02 
4.02  7.225833264e-02 
4.04  7.076349199e-02 
4.06  6.923666416e-02 
4.08  6.769049779e-02 
4.10  6.605424679e-02 
4.12  6.324815012e-02 
4.14  5.909211876e-02 
4.16  5.381921457e-02 
4.18  4.770541751e-02 
4.20  4.104812047e-02 
4.22  3.415148046e-02 
4.24  2.731532211e-02 
4.26  2.081946507e-02 
4.28  1.491314479e-02 
4.30  9.805671666e-03 
4.32  5.659029455e-03 
4.34  2.583027729e-03 
4.36  6.331116054e-04 
4.38 -1.898553360e-04 
4.40 -2.015241060e-04 
4.42 -1.735116914e-04 
4.44 -1.494867578e-04 
4.46 -1.288683759e-04 
4.48 -1.111621774e-04 
4.50 -9.594717502e-05 
4.52 -8.286463093e-05 
4.54 -7.160864890e-05 
4.56 -6.191821830e-05 
4.58 -5.357048152e-05 
4.60 -4.637503279e-05 
4.62 -4.016908720e-05 
4.64 -3.481338432e-05 
4.66 -3.018871255e-05 
4.68 -2.619295815e-05 
4.70 -2.273859800e-05 
4.72 -1.975056812e-05 
4.74 -1.716445027e-05 
4.76 -1.492492830e-05 
4.78 -1.298447326e-05 
4.80 -1.130222261e-05 
4.82 -9.843024191e-06 
4.84 -8.576620423e-06 
4.86 -7.476951518e-06 
4.88 -6.521560107e-06 
4.90 -5.691082140e-06 
4.92 -4.968811305e-06 
4.94 -4.340326128e-06 
4.96 -3.793170542e-06 
4.98 -3.316580089e-06 
5.00 -2.901247089e-06 
5.02 -2.539119123e-06 
5.04 -2.223226005e-06 
5.06 -1.947531115e-06 
5.08 -1.706803607e-06 
5.10 -1.496508480e-06 
5.12 -1.312711979e-06 
5.14 -1.152000131e-06 
5.16 -1.011408562e-06 
5.18 -8.883619892e-07 
5.20 -7.806220342e-07 
5.22 -6.862421892e-07 
5.24 -6.035289289e-07 
5.26 -5.310081169e-07 
5.28 -4.673959679e-07 
5.30 -4.115739350e-07 
5.32 -3.625669822e-07 
5.34 -3.195247744e-07 
5.36 -2.817053847e-07 
5.38 -2.484611766e-07 
5.40 -2.192265631e-07 
5.42 -1.935073888e-07 
5.44 -1.708717160e-07 
5.46 -1.509418229e-07 
5.48 -1.333872536e-07 
5.50 -1.179187780e-07 
5.52 -1.042831388e-07 
5.54  0.000000000e+00 
5.56  0.000000000e+00 
5.58  0.000000000e+00 
5.60  0.000000000e+00 
5.62  0.000000000e+00 
5.64  0.000000000e+00 
5.66  0.000000000e+00 
5.68  0.000000000e+00 
5.70  0.000000000e+00 
5.72  0.000000000e+00 
5.74  0.000000000e+00 
5.76  0.000000000e+00 
5.78  0.000000000e+00 
5.80  0.000000000e+00 
5.82  0.000000000e+00 
5.84  0.000000000e+00 
5.86  0.000000000e+00 
5.88  0.000000000e+00 
5.90  0.000000000e+00 
5.92  0.000000000e+00 
5.94  0.000000000e+00 
5.96  0.000000000e+00 
5.98  0.000000000e+00 
6.00  0.000000000e+00