# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = TaZr2 # 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 2024-04-11 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 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 4.844972956e+02 1.16 4.492354769e+02 1.18 4.167062651e+02 1.20 3.866722550e+02 1.22 3.589188028e+02 1.24 3.332523316e+02 1.26 3.094982594e+02 1.28 2.874983475e+02 1.30 2.671086675e+02 1.32 2.481985131e+02 1.34 2.306495725e+02 1.36 2.143549144e+02 1.38 1.992179275e+02 1.40 1.851510334e+02 1.42 1.720741747e+02 1.44 1.599134402e+02 1.46 1.485999992e+02 1.48 1.380694870e+02 1.50 1.282618351e+02 1.52 1.191213754e+02 1.54 1.105968283e+02 1.56 1.026413559e+02 1.58 9.521258194e+01 1.60 8.827245941e+01 1.62 8.178679880e+01 1.64 7.572472913e+01 1.66 7.005816344e+01 1.68 6.476142536e+01 1.70 5.981102707e+01 1.72 5.518534800e+01 1.74 5.086426641e+01 1.76 4.682880638e+01 1.78 4.306091734e+01 1.80 3.954333907e+01 1.82 3.625952505e+01 1.84 3.319360844e+01 1.86 3.033055168e+01 1.88 2.765628966e+01 1.90 2.515781733e+01 1.92 2.282376056e+01 1.94 2.064662386e+01 1.96 1.861860302e+01 1.98 1.672959132e+01 2.00 1.497015457e+01 2.02 1.333150987e+01 2.04 1.180551179e+01 2.06 1.038463407e+01 2.08 9.061928995e+00 2.10 7.830995864e+00 2.12 6.685922549e+00 2.14 5.621238678e+00 2.16 4.631877207e+00 2.18 3.713120705e+00 2.20 2.860564589e+00 2.22 2.070049211e+00 2.24 1.337621334e+00 2.26 6.595237284e-01 2.28 3.218670786e-02 2.30 -5.477273661e-01 2.32 -1.083356570e+00 2.34 -1.577639417e+00 2.36 -2.033354321e+00 2.38 -2.453140198e+00 2.40 -2.839508221e+00 2.42 -3.194853479e+00 2.44 -3.521441254e+00 2.46 -3.821406438e+00 2.48 -4.096735518e+00 2.50 -4.349248672e+00 2.52 -4.580587345e+00 2.54 -4.792213384e+00 2.56 -4.985420655e+00 2.58 -5.161355963e+00 2.60 -5.321045183e+00 2.62 -5.465418542e+00 2.64 -5.595346116e+00 2.66 -5.711643263e+00 2.68 -5.815097384e+00 2.70 -5.906474000e+00 2.72 -5.986516112e+00 2.74 -6.055996375e+00 2.76 -6.115615847e+00 2.78 -6.165975067e+00 2.80 -6.207670062e+00 2.82 -6.241259575e+00 2.84 -6.267277836e+00 2.86 -6.286229236e+00 2.88 -6.298590590e+00 2.90 -6.304808939e+00 2.92 -6.305133409e+00 2.94 -6.299558084e+00 2.96 -6.288034677e+00 2.98 -6.270583970e+00 3.00 -6.247288701e+00 3.02 -6.218280149e+00 3.04 -6.183721543e+00 3.06 -6.143820351e+00 3.08 -6.098786999e+00 3.10 -6.048854587e+00 3.12 -5.994265990e+00 3.14 -5.935284047e+00 3.16 -5.872168264e+00 3.18 -5.805185597e+00 3.20 -5.734602168e+00 3.22 -5.660679315e+00 3.24 -5.583671238e+00 3.26 -5.503824799e+00 3.28 -5.421380817e+00 3.30 -5.336575133e+00 3.32 -5.249637639e+00 3.34 -5.160788418e+00 3.36 -5.070231694e+00 3.38 -4.978149487e+00 3.40 -4.884694956e+00 3.42 -4.790000046e+00 3.44 -4.694162976e+00 3.46 -4.597262530e+00 3.48 -4.499360420e+00 3.50 -4.400506284e+00 3.52 -4.300741981e+00 3.54 -4.200105124e+00 3.56 -4.098632084e+00 3.58 -3.996360910e+00 3.60 -3.893334510e+00 3.62 -3.789604412e+00 3.64 -3.685235198e+00 3.66 -3.580309583e+00 3.68 -3.474933951e+00 3.70 -3.369243985e+00 3.72 -3.263409942e+00 3.74 -3.157640993e+00 3.76 -3.052187969e+00 3.78 -2.947343808e+00 3.80 -2.843441017e+00 3.82 -2.740845557e+00 3.84 -2.639946820e+00 3.86 -2.541143814e+00 3.88 -2.444828263e+00 3.90 -2.351366070e+00 3.92 -2.261074360e+00 3.94 -2.174225803e+00 3.96 -2.091006111e+00 3.98 -2.011531027e+00 4.00 -1.935841279e+00 4.02 -1.863908733e+00 4.04 -1.795646418e+00 4.06 -1.730920683e+00 4.08 -1.669563880e+00 4.10 -1.611379681e+00 4.12 -1.556181387e+00 4.14 -1.503756486e+00 4.16 -1.453904156e+00 4.18 -1.406431734e+00 4.20 -1.361157825e+00 4.22 -1.317914120e+00 4.24 -1.276546206e+00 4.26 -1.236913639e+00 4.28 -1.198889500e+00 4.30 -1.162359611e+00 4.32 -1.127221560e+00 4.34 -1.093383635e+00 4.36 -1.060763734e+00 4.38 -1.029288314e+00 4.40 -9.988914043e-01 4.42 -9.695136941e-01 4.44 -9.411017164e-01 4.46 -9.136071158e-01 4.48 -8.869860031e-01 4.50 -8.611983890e-01 4.52 -8.362076897e-01 4.54 -8.119802965e-01 4.56 -7.884852020e-01 4.58 -7.656936759e-01 4.60 -7.435789832e-01 4.62 -7.221161408e-01 4.64 -7.012817046e-01 4.66 -6.810535846e-01 4.68 -6.614108842e-01 4.70 -6.423337579e-01 4.72 -6.238032877e-01 4.74 -6.058013726e-01 4.76 -5.883106313e-01 4.78 -5.713143150e-01 4.80 -5.547879512e-01 4.82 -5.387337864e-01 4.84 -5.231265995e-01 4.86 -5.079514963e-01 4.88 -4.931938777e-01 4.90 -4.788393897e-01 4.92 -4.648738777e-01 4.94 -4.512833436e-01 4.96 -4.380539069e-01 4.98 -4.251717704e-01 5.00 -4.126231901e-01 5.02 -4.003944527e-01 5.04 -3.884718599e-01 5.06 -3.768417241e-01 5.08 -3.654903762e-01 5.10 -3.544041899e-01 5.12 -3.435696263e-01 5.14 -3.329733025e-01 5.16 -3.226020888e-01 5.18 -3.124432388e-01 5.20 -3.024845571e-01 5.22 -2.927146053e-01 5.24 -2.831229477e-01 5.26 -2.737004334e-01 5.28 -2.644395061e-01 5.30 -2.553345290e-01 5.32 -2.463821035e-01 5.34 -2.375813548e-01 5.36 -2.289341517e-01 5.38 -2.204452226e-01 5.40 -2.121221330e-01 5.42 -2.039750929e-01 5.44 -1.960165770e-01 5.46 -1.882607575e-01 5.48 -1.807227708e-01 5.50 -1.734178658e-01 5.52 -1.663604982e-01 5.54 -1.595634470e-01 5.56 -1.530370323e-01 5.58 -1.467885003e-01 5.60 -1.408213169e-01 5.62 -1.351354641e-01 5.64 -1.297278043e-01 5.66 -1.245917898e-01 5.68 -1.197178987e-01 5.70 -1.150941681e-01 5.72 -1.107067690e-01 5.74 -1.065405734e-01 5.76 -1.025796779e-01 5.78 -9.880785960e-02 5.80 -9.520895220e-02 5.82 -9.176714032e-02 5.84 -8.846717651e-02 5.86 -8.529453099e-02 5.88 -8.223548590e-02 5.90 -7.927718691e-02 5.92 -7.640766467e-02 5.94 -7.361583717e-02 5.96 -7.089150299e-02 5.98 -6.822533319e-02 6.00 -6.560886835e-02