# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Pan-Z-Borovikov-V-Mendelev-M-I-Sansoz-F--Ag-Ni # implementation = 2018--Pan-Z--Ag-Ni--LAMMPS--ipr1 # composition = AgNi2 # 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 nan 0.94 nan 0.96 nan 0.98 nan 1.00 nan 1.02 1.987385244e+04 1.04 1.797963162e+04 1.06 1.622786472e+04 1.08 1.460550184e+04 1.10 1.310087606e+04 1.12 1.170345514e+04 1.14 1.040382934e+04 1.16 9.193646410e+03 1.18 8.065490922e+03 1.20 7.012711914e+03 1.22 6.029099457e+03 1.24 5.109076989e+03 1.26 4.283444515e+03 1.28 3.571352505e+03 1.30 2.951698703e+03 1.32 2.407865621e+03 1.34 1.926922766e+03 1.36 1.528046276e+03 1.38 1.213529291e+03 1.40 9.651743288e+02 1.42 7.688007641e+02 1.44 6.133330337e+02 1.46 4.901018678e+02 1.48 3.923018296e+02 1.50 3.145786282e+02 1.52 2.527208873e+02 1.54 2.034286479e+02 1.56 1.641100590e+02 1.58 1.327196269e+02 1.60 1.076304197e+02 1.62 8.754607309e+01 1.64 7.143847969e+01 1.66 5.851333353e+01 1.68 4.815798989e+01 1.70 3.982857730e+01 1.72 3.309151598e+01 1.74 2.760643066e+01 1.76 2.310770100e+01 1.78 1.938985730e+01 1.80 1.629667289e+01 1.82 1.370932077e+01 1.84 1.153663181e+01 1.86 9.707551329e+00 1.88 8.165220092e+00 1.90 6.861708816e+00 1.92 5.754510311e+00 1.94 4.805311743e+00 1.96 3.980432887e+00 1.98 3.252836415e+00 2.00 2.602285623e+00 2.02 2.012919320e+00 2.04 1.472737026e+00 2.06 9.738984716e-01 2.08 5.128211646e-01 2.10 8.887036498e-02 2.12 -2.972795134e-01 2.14 -6.451087349e-01 2.16 -9.552850220e-01 2.18 -1.231371102e+00 2.20 -1.477976001e+00 2.22 -1.695409595e+00 2.24 -1.885133857e+00 2.26 -2.052715827e+00 2.28 -2.203027272e+00 2.30 -2.338922328e+00 2.32 -2.461761645e+00 2.34 -2.572198756e+00 2.36 -2.671008727e+00 2.38 -2.758959202e+00 2.40 -2.836603849e+00 2.42 -2.905749898e+00 2.44 -2.967087337e+00 2.46 -3.019317211e+00 2.48 -3.061348523e+00 2.50 -3.092387585e+00 2.52 -3.109959206e+00 2.54 -3.111793423e+00 2.56 -3.099905763e+00 2.58 -3.076610689e+00 2.60 -3.044529730e+00 2.62 -3.006579391e+00 2.64 -2.965807240e+00 2.66 -2.925048275e+00 2.68 -2.886441888e+00 2.70 -2.851106985e+00 2.72 -2.819318496e+00 2.74 -2.790773254e+00 2.76 -2.764808683e+00 2.78 -2.740576989e+00 2.80 -2.717177085e+00 2.82 -2.693743201e+00 2.84 -2.669512338e+00 2.86 -2.643871184e+00 2.88 -2.616379150e+00 2.90 -2.586770999e+00 2.92 -2.554942826e+00 2.94 -2.520927301e+00 2.96 -2.484867909e+00 2.98 -2.447072044e+00 3.00 -2.408051163e+00 3.02 -2.368472755e+00 3.04 -2.329053187e+00 3.06 -2.290451905e+00 3.08 -2.253228517e+00 3.10 -2.217814624e+00 3.12 -2.184495067e+00 3.14 -2.153398614e+00 3.16 -2.124497890e+00 3.18 -2.097618132e+00 3.20 -2.072454141e+00 3.22 -2.048594564e+00 3.24 -2.025552424e+00 3.26 -2.002800618e+00 3.28 -1.979810847e+00 3.30 -1.956094244e+00 3.32 -1.931241362e+00 3.34 -1.904946288e+00 3.36 -1.877010778e+00 3.38 -1.847362876e+00 3.40 -1.816070466e+00 3.42 -1.783340484e+00 3.44 -1.749500288e+00 3.46 -1.714957660e+00 3.48 -1.680135761e+00 3.50 -1.645379113e+00 3.52 -1.610846225e+00 3.54 -1.576561929e+00 3.56 -1.542531896e+00 3.58 -1.508751808e+00 3.60 -1.475207241e+00 3.62 -1.441875376e+00 3.64 -1.408729130e+00 3.66 -1.375744303e+00 3.68 -1.342910394e+00 3.70 -1.310240950e+00 3.72 -1.277763625e+00 3.74 -1.245510742e+00 3.76 -1.213518336e+00 3.78 -1.181825565e+00 3.80 -1.150474117e+00 3.82 -1.119507639e+00 3.84 -1.088971172e+00 3.86 -1.058910610e+00 3.88 -1.029372175e+00 3.90 -1.000401901e+00 3.92 -9.720451186e-01 3.94 -9.443459297e-01 3.96 -9.173466572e-01 3.98 -8.910872470e-01 4.00 -8.656046061e-01 4.02 -8.409318473e-01 4.04 -8.170974116e-01 4.06 -7.941240391e-01 4.08 -7.720275514e-01 4.10 -7.508154060e-01 4.12 -7.304849982e-01 4.14 -7.110219495e-01 4.16 -6.923985214e-01 4.18 -6.745737560e-01 4.20 -6.575052662e-01 4.22 -6.411566754e-01 4.24 -6.254957639e-01 4.26 -6.104924962e-01 4.28 -5.961174255e-01 4.30 -5.823404379e-01 4.32 -5.691298220e-01 4.34 -5.564516223e-01 4.36 -5.442692519e-01 4.38 -5.325433294e-01 4.40 -5.212317176e-01 4.42 -5.102897198e-01 4.44 -4.996704328e-01 4.46 -4.893252133e-01 4.48 -4.792042661e-01 4.50 -4.692573511e-01 4.52 -4.594343091e-01 4.54 -4.496858980e-01 4.56 -4.399647875e-01 4.58 -4.302257096e-01 4.60 -4.204269309e-01 4.62 -4.105303463e-01 4.64 -4.005025140e-01 4.66 -3.903150675e-01 4.68 -3.799455167e-01 4.70 -3.693768728e-01 4.72 -3.586000489e-01 4.74 -3.476104905e-01 4.76 -3.364130635e-01 4.78 -3.250182543e-01 4.80 -3.134423344e-01 4.82 -3.017118348e-01 4.84 -2.898576401e-01 4.86 -2.779133356e-01 4.88 -2.659244021e-01 4.90 -2.539426332e-01 4.92 -2.420122141e-01 4.94 -2.301857477e-01 4.96 -2.185283703e-01 4.98 -2.071058385e-01 5.00 -1.959706058e-01 5.02 -1.850641620e-01 5.04 -1.745077396e-01 5.06 -1.644450613e-01 5.08 -1.549878929e-01 5.10 -1.462261624e-01 5.12 -1.382284309e-01 5.14 -1.311206042e-01 5.16 -1.247872675e-01 5.18 -1.190039517e-01 5.20 -1.135961275e-01 5.22 -1.083836256e-01 5.24 -1.032381786e-01 5.26 -9.815182582e-02 5.28 -9.311858658e-02 5.30 -8.813285803e-02 5.32 -8.319397359e-02 5.34 -7.831491419e-02 5.36 -7.342264208e-02 5.38 -6.845243648e-02 5.40 -6.336392768e-02 5.42 -5.813597092e-02 5.44 -5.276245609e-02 5.46 -4.724889779e-02 5.48 -4.160967254e-02 5.50 -3.584823671e-02 5.52 -3.002892954e-02 5.54 -2.424224109e-02 5.56 -1.855508686e-02 5.58 -1.301648129e-02 5.60 -7.662083204e-03 5.62 -2.517792708e-03 5.64 2.397444811e-03 5.66 7.069493277e-03 5.68 1.148742410e-02 5.70 1.564235925e-02 5.72 1.952667502e-02 5.74 2.313349464e-02 5.76 2.645640886e-02 5.78 2.948937272e-02 5.80 3.222673510e-02 5.82 3.466336432e-02 5.84 3.679483929e-02 5.86 3.861768061e-02 5.88 4.012960068e-02 5.90 4.132975558e-02 5.92 4.221898468e-02 5.94 4.280002681e-02 5.96 4.307770423e-02 5.98 4.305906763e-02 6.00 4.275349729e-02