# 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 = Ni2Zr # 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 2.110885590e+02 1.16 1.940278840e+02 1.18 1.783709435e+02 1.20 1.639945715e+02 1.22 1.507862134e+02 1.24 1.386431384e+02 1.26 1.274720559e+02 1.28 1.171881863e+02 1.30 1.077137418e+02 1.32 9.897769478e+01 1.34 9.091668820e+01 1.36 8.347543391e+01 1.38 7.660566113e+01 1.40 7.026430075e+01 1.42 6.441177085e+01 1.44 5.901070611e+01 1.46 5.402555704e+01 1.48 4.942295943e+01 1.50 4.517212311e+01 1.52 4.124480132e+01 1.54 3.761501989e+01 1.56 3.425876473e+01 1.58 3.115388727e+01 1.60 2.828017113e+01 1.62 2.561947614e+01 1.64 2.315609916e+01 1.66 2.087644864e+01 1.68 1.876751395e+01 1.70 1.681705581e+01 1.72 1.501334342e+01 1.74 1.334510751e+01 1.76 1.180172999e+01 1.78 1.037356558e+01 1.80 9.052135676e+00 1.82 7.830108797e+00 1.84 6.700980264e+00 1.86 5.658765253e+00 1.88 4.697758931e+00 1.90 3.812461452e+00 1.92 2.997552584e+00 1.94 2.247933051e+00 1.96 1.558732884e+00 1.98 9.253814181e-01 2.00 3.436824073e-01 2.02 -1.901589788e-01 2.04 -6.795652356e-01 2.06 -1.127656522e+00 2.08 -1.537325283e+00 2.10 -1.911297645e+00 2.12 -2.252137298e+00 2.14 -2.562236949e+00 2.16 -2.843790567e+00 2.18 -3.098803548e+00 2.20 -3.329128636e+00 2.22 -3.536537344e+00 2.24 -3.722763759e+00 2.26 -3.889507492e+00 2.28 -4.038399669e+00 2.30 -4.170956539e+00 2.32 -4.288582389e+00 2.34 -4.392625352e+00 2.36 -4.484117840e+00 2.38 -4.563961514e+00 2.40 -4.632989974e+00 2.42 -4.691968705e+00 2.44 -4.741592364e+00 2.46 -4.782501713e+00 2.48 -4.815165857e+00 2.50 -4.839904900e+00 2.52 -4.857094602e+00 2.54 -4.867151853e+00 2.56 -4.870503239e+00 2.58 -4.867558297e+00 2.60 -4.858694273e+00 2.62 -4.844262276e+00 2.64 -4.824612140e+00 2.66 -4.800092470e+00 2.68 -4.771081487e+00 2.70 -4.737995173e+00 2.72 -4.701289731e+00 2.74 -4.661396477e+00 2.76 -4.618537465e+00 2.78 -4.572916281e+00 2.80 -4.524770213e+00 2.82 -4.474316972e+00 2.84 -4.421752699e+00 2.86 -4.367241023e+00 2.88 -4.310916438e+00 2.90 -4.252892939e+00 2.92 -4.193273667e+00 2.94 -4.132158812e+00 2.96 -4.069650629e+00 2.98 -4.005855631e+00 3.00 -3.940884629e+00 3.02 -3.874851473e+00 3.04 -3.807871282e+00 3.06 -3.740058716e+00 3.08 -3.671526646e+00 3.10 -3.602385393e+00 3.12 -3.532739403e+00 3.14 -3.462701293e+00 3.16 -3.392371608e+00 3.18 -3.321856311e+00 3.20 -3.251265519e+00 3.22 -3.180716966e+00 3.24 -3.110339367e+00 3.26 -3.040274671e+00 3.28 -2.970677874e+00 3.30 -2.901713273e+00 3.32 -2.833546794e+00 3.34 -2.766335243e+00 3.36 -2.700214528e+00 3.38 -2.635289526e+00 3.40 -2.571626214e+00 3.42 -2.509256942e+00 3.44 -2.448172904e+00 3.46 -2.388337895e+00 3.48 -2.329693877e+00 3.50 -2.272168576e+00 3.52 -2.215682167e+00 3.54 -2.160152678e+00 3.56 -2.105500075e+00 3.58 -2.051649187e+00 3.60 -1.998531668e+00 3.62 -1.946087233e+00 3.64 -1.894264405e+00 3.66 -1.843021022e+00 3.68 -1.792324759e+00 3.70 -1.742153916e+00 3.72 -1.692498649e+00 3.74 -1.643362709e+00 3.76 -1.594765562e+00 3.78 -1.546744563e+00 3.80 -1.499356631e+00 3.82 -1.452678702e+00 3.84 -1.406806276e+00 3.86 -1.361849516e+00 3.88 -1.317926848e+00 3.90 -1.275156535e+00 3.92 -1.233647313e+00 3.94 -1.193489480e+00 3.96 -1.154747880e+00 3.98 -1.117457776e+00 4.00 -1.081624007e+00 4.02 -1.047223143e+00 4.04 -1.014207860e+00 4.06 -9.825125389e-01 4.08 -9.520591493e-01 4.10 -9.227570839e-01 4.12 -8.945311467e-01 4.14 -8.672880615e-01 4.16 -8.409450129e-01 4.18 -8.154243312e-01 4.20 -7.906544570e-01 4.22 -7.665704612e-01 4.24 -7.431143088e-01 4.26 -7.202350124e-01 4.28 -6.978887763e-01 4.30 -6.760391883e-01 4.32 -6.546574671e-01 4.34 -6.337227356e-01 4.36 -6.132222513e-01 4.38 -5.931514950e-01 4.40 -5.735140061e-01 4.42 -5.543208545e-01 4.44 -5.355896673e-01 4.46 -5.173431827e-01 4.48 -4.996073718e-01 4.50 -4.824092500e-01 4.52 -4.657745670e-01 4.54 -4.497256022e-01 4.56 -4.342792940e-01 4.58 -4.194458851e-01 4.60 -4.052281915e-01 4.62 -3.916215124e-01 4.64 -3.786141122e-01 4.66 -3.661881437e-01 4.68 -3.543208517e-01 4.70 -3.429858993e-01 4.72 -3.321546613e-01 4.74 -3.217970772e-01 4.76 -3.118834861e-01 4.78 -3.023850277e-01 4.80 -2.932697312e-01 4.82 -2.845206349e-01 4.84 -2.761083375e-01 4.86 -2.680105025e-01 4.88 -2.602067585e-01 4.90 -2.526786350e-01 4.92 -2.454094509e-01 4.94 -2.383841746e-01 4.96 -2.315892716e-01 4.98 -2.250125494e-01 5.00 -2.186430083e-01 5.02 -2.124707004e-01 5.04 -2.064866011e-01 5.06 -2.006824933e-01 5.08 -1.950508637e-01 5.10 -1.895848125e-01 5.12 -1.842779738e-01 5.14 -1.791244468e-01 5.16 -1.741187361e-01 5.18 -1.692557006e-01 5.20 -1.645305092e-01 5.22 -1.599386029e-01 5.24 -1.554756620e-01 5.26 -1.511375784e-01 5.28 -1.469204308e-01 5.30 -1.428204641e-01 5.32 -1.388340714e-01 5.34 -1.349577772e-01 5.36 -1.311882241e-01 5.38 -1.275221601e-01 5.40 -1.239564270e-01 5.42 -1.204879506e-01 5.44 -1.171137314e-01 5.46 -1.138308354e-01 5.48 -1.106363865e-01 5.50 -1.075275586e-01 5.52 -1.045015678e-01 5.54 -1.015556653e-01 5.56 -9.868713049e-02 5.58 -9.589326353e-02 5.60 -9.317137856e-02 5.62 -9.051879670e-02 5.64 -8.793283921e-02 5.66 -8.541082060e-02 5.68 -8.295004204e-02 5.70 -8.054778491e-02 5.72 -7.820130470e-02 5.74 -7.590782552e-02 5.76 -7.366453520e-02 5.78 -7.146858160e-02 5.80 -6.931707012e-02 5.82 -6.720706307e-02 5.84 -6.513558133e-02 5.86 -6.309960886e-02 5.88 -6.109610081e-02 5.90 -5.912199595e-02 5.92 -5.717423426e-02 5.94 -5.524978068e-02 5.96 -5.334565573e-02 5.98 -5.145897411e-02 6.00 -4.958699172e-02