# 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 = PdPt2 # 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 4.541594845e+02 1.16 4.218545850e+02 1.18 3.919446180e+02 1.20 3.642311098e+02 1.22 3.385074995e+02 1.24 3.145744701e+02 1.26 2.922589587e+02 1.28 2.714224808e+02 1.30 2.519533475e+02 1.32 2.337526740e+02 1.34 2.167276579e+02 1.36 2.007921519e+02 1.38 1.858689861e+02 1.40 1.718933223e+02 1.42 1.588131328e+02 1.44 1.465818743e+02 1.46 1.351490337e+02 1.48 1.244579445e+02 1.50 1.144502607e+02 1.52 1.050700409e+02 1.54 9.626470838e+01 1.56 8.798519089e+01 1.58 8.018694264e+01 1.60 7.283099589e+01 1.62 6.594026513e+01 1.64 5.962036339e+01 1.66 5.382934805e+01 1.68 4.852297063e+01 1.70 4.366281771e+01 1.72 3.921544554e+01 1.74 3.515033466e+01 1.76 3.143767158e+01 1.78 2.804742416e+01 1.80 2.495015325e+01 1.82 2.211869395e+01 1.84 1.952951224e+01 1.86 1.716306757e+01 1.88 1.500313586e+01 1.90 1.303547527e+01 1.92 1.124646397e+01 1.94 9.622300104e+00 1.96 8.148968939e+00 1.98 6.812725418e+00 2.00 5.600664307e+00 2.02 4.501086328e+00 2.04 3.503594874e+00 2.06 2.598997970e+00 2.08 1.779120394e+00 2.10 1.036606091e+00 2.12 3.647594658e-01 2.14 -2.425511787e-01 2.16 -7.909289406e-01 2.18 -1.285445178e+00 2.20 -1.730629447e+00 2.22 -2.130475476e+00 2.24 -2.488469967e+00 2.26 -2.807640059e+00 2.28 -3.090613177e+00 2.30 -3.339685749e+00 2.32 -3.556899857e+00 2.34 -3.746184949e+00 2.36 -3.911206899e+00 2.38 -4.052747302e+00 2.40 -4.171777576e+00 2.42 -4.269486962e+00 2.44 -4.347278633e+00 2.46 -4.406740571e+00 2.48 -4.449595557e+00 2.50 -4.477638845e+00 2.52 -4.492670847e+00 2.54 -4.496428035e+00 2.56 -4.490514021e+00 2.58 -4.476336714e+00 2.60 -4.455062364e+00 2.62 -4.427597111e+00 2.64 -4.394608316e+00 2.66 -4.356875284e+00 2.68 -4.314687892e+00 2.70 -4.268044734e+00 2.72 -4.216925229e+00 2.74 -4.161305105e+00 2.76 -4.101165483e+00 2.78 -4.036499134e+00 2.80 -3.967317680e+00 2.82 -3.893662812e+00 2.84 -3.815627152e+00 2.86 -3.733400019e+00 2.88 -3.647278066e+00 2.90 -3.557678691e+00 2.92 -3.465160938e+00 2.94 -3.370429762e+00 2.96 -3.274316421e+00 2.98 -3.177732359e+00 3.00 -3.081601282e+00 3.02 -2.986781668e+00 3.04 -2.893996111e+00 3.06 -2.803782514e+00 3.08 -2.716475167e+00 3.10 -2.632215205e+00 3.12 -2.550989081e+00 3.14 -2.472787010e+00 3.16 -2.397589558e+00 3.18 -2.325277991e+00 3.20 -2.255676795e+00 3.22 -2.188587630e+00 3.24 -2.123811420e+00 3.26 -2.061161553e+00 3.28 -2.000471009e+00 3.30 -1.941595568e+00 3.32 -1.884414580e+00 3.34 -1.828830211e+00 3.36 -1.774765690e+00 3.38 -1.722162863e+00 3.40 -1.670979289e+00 3.42 -1.621185075e+00 3.44 -1.572759631e+00 3.46 -1.525688570e+00 3.48 -1.479960867e+00 3.50 -1.435566402e+00 3.52 -1.392493938e+00 3.54 -1.350729539e+00 3.56 -1.310255404e+00 3.58 -1.271049066e+00 3.60 -1.233082908e+00 3.62 -1.196323958e+00 3.64 -1.160733912e+00 3.66 -1.126269385e+00 3.68 -1.092882363e+00 3.70 -1.060520854e+00 3.72 -1.029129726e+00 3.74 -9.986517061e-01 3.76 -9.690285070e-01 3.78 -9.402020213e-01 3.80 -9.121155141e-01 3.82 -8.847147417e-01 3.84 -8.579489260e-01 3.86 -8.317715349e-01 3.88 -8.061408472e-01 3.90 -7.810203135e-01 3.92 -7.563787533e-01 3.94 -7.321904653e-01 3.96 -7.084352976e-01 3.98 -6.850987820e-01 4.00 -6.621723450e-01 4.02 -6.396536104e-01 4.04 -6.175467470e-01 4.06 -5.958627640e-01 4.08 -5.746196174e-01 4.10 -5.538419590e-01 4.12 -5.335603975e-01 4.14 -5.138100972e-01 4.16 -4.946287749e-01 4.18 -4.760541186e-01 4.20 -4.581208672e-01 4.22 -4.408578597e-01 4.24 -4.242854067e-01 4.26 -4.084133125e-01 4.28 -3.932397746e-01 4.30 -3.787512419e-01 4.32 -3.649231642e-01 4.34 -3.517214418e-01 4.36 -3.391043163e-01 4.38 -3.270244369e-01 4.40 -3.154308750e-01 4.42 -3.042709256e-01 4.44 -2.934916091e-01 4.46 -2.830408518e-01 4.48 -2.728683712e-01 4.50 -2.629263224e-01 4.52 -2.531697765e-01 4.54 -2.435571026e-01 4.56 -2.340503178e-01 4.58 -2.246154583e-01 4.60 -2.152230084e-01 4.62 -2.058484071e-01 4.64 -1.964726329e-01 4.66 -1.870828464e-01 4.68 -1.776730504e-01 4.70 -1.682447048e-01 4.72 -1.588072201e-01 4.74 -1.493782361e-01 4.76 -1.399835939e-01 4.78 -1.306569163e-01 4.80 -1.214387357e-01 4.82 -1.123751513e-01 4.84 -1.035160409e-01 4.86 -9.491294551e-02 4.88 -8.661669877e-02 4.90 -7.867504837e-02 4.92 -7.113044525e-02 4.94 -6.401899721e-02 4.96 -5.736832968e-02 4.98 -5.119479140e-02 5.00 -4.550572797e-02 5.02 -4.029978418e-02 5.04 -3.556762942e-02 5.06 -3.129304525e-02 5.08 -2.745423197e-02 5.10 -2.402519893e-02 5.12 -2.097712463e-02 5.14 -1.827959185e-02 5.16 -1.590167271e-02 5.18 -1.381281253e-02 5.20 -1.198351572e-02 5.22 -1.038582477e-02 5.24 -8.993650264e-03 5.26 -7.782924552e-03 5.28 -6.731635947e-03 5.30 -5.820135978e-03 5.32 -5.030809103e-03 5.34 -4.347954886e-03 5.36 -3.757669564e-03 5.38 -3.247706044e-03 5.40 -2.807324313e-03 5.42 -2.427140712e-03 5.44 -2.098981755e-03 5.46 -1.815746143e-03 5.48 -1.571277034e-03 5.50 -1.360245603e-03 5.52 -1.178046120e-03 5.54 -1.020702289e-03 5.56 -8.847842602e-04 5.58 -7.673355502e-04 5.60 -6.658090011e-04 5.62 -5.780108906e-04 5.64 -5.020523179e-04 5.66 -4.363070337e-04 5.68 -3.793749437e-04 5.70 -3.300505783e-04 5.72 -2.872958951e-04 5.74 -2.502168462e-04 5.76 -2.180432083e-04 5.78 -1.901112334e-04 5.80 -1.658487361e-04 5.82 -1.447622781e-04 5.84 -1.264261590e-04 5.86 -1.104729605e-04 5.88 -9.658542489e-05 5.90 -8.448947864e-05 5.92 -7.394824059e-05 5.94 -6.475687344e-05 5.96 -5.673815963e-05 5.98 -4.973869839e-05 6.00 -4.362563589e-05