# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Starikov-S-Grigorev-P-Lee-S-H-et-al--W-Mo-Nb-Zr-Ti-Ta # implementation = 2026--Starikov-S--W-Mo-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = TiZr2 # 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 5.554510267e+02 0.98 5.052471856e+02 1.00 4.599751704e+02 1.02 4.191920787e+02 1.04 3.822600835e+02 1.06 3.487515982e+02 1.08 3.181828692e+02 1.10 2.902161977e+02 1.12 2.645840348e+02 1.14 2.411006034e+02 1.16 2.197354974e+02 1.18 2.003202263e+02 1.20 1.832531812e+02 1.22 1.679220754e+02 1.24 1.538564305e+02 1.26 1.409595107e+02 1.28 1.292436698e+02 1.30 1.187442981e+02 1.32 1.090638079e+02 1.34 1.001729564e+02 1.36 9.199441824e+01 1.38 8.451881785e+01 1.40 7.767162576e+01 1.42 7.135299594e+01 1.44 6.554799034e+01 1.46 6.023703407e+01 1.48 5.533416038e+01 1.50 5.077749543e+01 1.52 4.655283107e+01 1.54 4.270180241e+01 1.56 3.921448356e+01 1.58 3.605829195e+01 1.60 3.318503935e+01 1.62 3.055451223e+01 1.64 2.812262756e+01 1.66 2.586950444e+01 1.68 2.377911172e+01 1.70 2.183435022e+01 1.72 2.004593427e+01 1.74 1.843667854e+01 1.76 1.700528401e+01 1.78 1.571790892e+01 1.80 1.452350003e+01 1.82 1.336519563e+01 1.84 1.230061156e+01 1.86 1.124339645e+01 1.88 1.026372295e+01 1.90 9.370264361e+00 1.92 8.559157308e+00 1.94 7.821356390e+00 1.96 6.988041621e+00 1.98 6.209469260e+00 2.00 5.498077767e+00 2.02 4.830542406e+00 2.04 4.197793845e+00 2.06 3.573382859e+00 2.08 2.780911262e+00 2.10 2.031472718e+00 2.12 1.349934602e+00 2.14 7.220157028e-01 2.16 1.263696504e-01 2.18 -4.419783495e-01 2.20 -9.830616102e-01 2.22 -1.498778772e+00 2.24 -1.966147804e+00 2.26 -2.406452193e+00 2.28 -2.726877431e+00 2.30 -2.982340713e+00 2.32 -3.209302851e+00 2.34 -3.420128651e+00 2.36 -3.615988591e+00 2.38 -3.790605258e+00 2.40 -3.949308365e+00 2.42 -4.101723212e+00 2.44 -4.252189583e+00 2.46 -4.399667401e+00 2.48 -4.529003319e+00 2.50 -4.638545038e+00 2.52 -4.737181057e+00 2.54 -4.826094164e+00 2.56 -4.906013081e+00 2.58 -4.980551748e+00 2.60 -5.052281246e+00 2.62 -5.120757330e+00 2.64 -5.183659138e+00 2.66 -5.240189618e+00 2.68 -5.292372663e+00 2.70 -5.343047990e+00 2.72 -5.391151709e+00 2.74 -5.432714075e+00 2.76 -5.463184470e+00 2.78 -5.480499502e+00 2.80 -5.485936490e+00 2.82 -5.483293404e+00 2.84 -5.477959946e+00 2.86 -5.470707448e+00 2.88 -5.457727925e+00 2.90 -5.438068795e+00 2.92 -5.416008675e+00 2.94 -5.393360925e+00 2.96 -5.369306081e+00 2.98 -5.341479989e+00 3.00 -5.308499914e+00 3.02 -5.271385094e+00 3.04 -5.232426329e+00 3.06 -5.192037688e+00 3.08 -5.148871167e+00 3.10 -5.102813034e+00 3.12 -5.053402225e+00 3.14 -4.997422463e+00 3.16 -4.930907139e+00 3.18 -4.851145359e+00 3.20 -4.765611845e+00 3.22 -4.689971720e+00 3.24 -4.636876020e+00 3.26 -4.594512829e+00 3.28 -4.552350011e+00 3.30 -4.507218191e+00 3.32 -4.454995767e+00 3.34 -4.390413414e+00 3.36 -4.307111404e+00 3.38 -4.196478556e+00 3.40 -4.047498868e+00 3.42 -3.858869909e+00 3.44 -3.644898969e+00 3.46 -3.424558439e+00 3.48 -3.206186072e+00 3.50 -2.988489249e+00 3.52 -2.773162994e+00 3.54 -2.577096315e+00 3.56 -2.418142699e+00 3.58 -2.307059231e+00 3.60 -2.231901155e+00 3.62 -2.174812235e+00 3.64 -2.123618478e+00 3.66 -2.072223090e+00 3.68 -2.020407662e+00 3.70 -1.967912021e+00 3.72 -1.913672122e+00 3.74 -1.858442212e+00 3.76 -1.806139962e+00 3.78 -1.761009788e+00 3.80 -1.726553035e+00 3.82 -1.697497199e+00 3.84 -1.670432914e+00 3.86 -1.644742824e+00 3.88 -1.619549661e+00 3.90 -1.593384038e+00 3.92 -1.564730524e+00 3.94 -1.532628932e+00 3.96 -1.497299025e+00 3.98 -1.459109638e+00 4.00 -1.418877128e+00 4.02 -1.377974968e+00 4.04 -1.337827225e+00 4.06 -1.299892555e+00 4.08 -1.265043773e+00 4.10 -1.233515349e+00 4.12 -1.205070519e+00 4.14 -1.179071153e+00 4.16 -1.154833896e+00 4.18 -1.131645282e+00 4.20 -1.108819330e+00 4.22 -1.086055911e+00 4.24 -1.063392145e+00 4.26 -1.040942100e+00 4.28 -1.018822264e+00 4.30 -9.971521560e-01 4.32 -9.760545624e-01 4.34 -9.555818974e-01 4.36 -9.356589173e-01 4.38 -9.162030977e-01 4.40 -8.971361036e-01 4.42 -8.783933623e-01 4.44 -8.599304766e-01 4.46 -8.418073560e-01 4.48 -8.241744893e-01 4.50 -8.070673095e-01 4.52 -7.904954196e-01 4.54 -7.744476757e-01 4.56 -7.588838784e-01 4.58 -7.435610967e-01 4.60 -7.280115122e-01 4.62 -7.120194853e-01 4.64 -6.955825923e-01 4.66 -6.787435316e-01 4.68 -6.616060269e-01 4.70 -6.444186242e-01 4.72 -6.275538402e-01 4.74 -6.113636667e-01 4.76 -5.958055854e-01 4.78 -5.806813013e-01 4.80 -5.657673245e-01 4.82 -5.508670389e-01 4.84 -5.357917780e-01 4.86 -5.203307682e-01 4.88 -5.043870084e-01 4.90 -4.881327124e-01 4.92 -4.717646250e-01 4.94 -4.554557481e-01 4.96 -4.393751356e-01 4.98 -4.236905528e-01 5.00 -4.085654959e-01 5.02 -3.940474491e-01 5.04 -3.800999691e-01 5.06 -3.667454555e-01 5.08 -3.540104617e-01 5.10 -3.419253481e-01 5.12 -3.305252265e-01 5.14 -3.198572563e-01 5.16 -3.099349381e-01 5.18 -3.006363442e-01 5.20 -2.918465522e-01 5.22 -2.834446323e-01 5.24 -2.753121019e-01 5.26 -2.673443964e-01 5.28 -2.596668896e-01 5.30 -2.525421013e-01 5.32 -2.462092934e-01 5.34 -2.409064216e-01 5.36 -2.368713930e-01 5.38 -2.339501938e-01 5.40 -2.308151749e-01 5.42 -2.272656587e-01 5.44 -2.233408018e-01 5.46 -2.190879926e-01 5.48 -2.145560315e-01 5.50 -2.097949503e-01 5.52 -2.048550363e-01 5.54 -1.997819135e-01 5.56 -1.945677352e-01 5.58 -1.891600082e-01 5.60 -1.835036710e-01 5.62 -1.775418494e-01 5.64 -1.712129272e-01 5.66 -1.644671058e-01 5.68 -1.572979895e-01 5.70 -1.498007123e-01 5.72 -1.421016631e-01 5.74 -1.343207468e-01 5.76 -1.265604399e-01 5.78 -1.188985153e-01 5.80 -1.113875913e-01 5.82 -1.040709193e-01 5.84 -9.700661880e-02 5.86 -9.027076747e-02 5.88 -8.396545310e-02 5.90 -7.822066138e-02 5.92 -7.319278584e-02 5.94 -6.904406475e-02 5.96 -6.567363989e-02 5.98 -6.268405503e-02 6.00 -5.960661239e-02