# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2003--Hoyt-J-J-Garvin-J-W-Webb-E-B-Asta-M--Cu-Pb # implementation = 2003--Hoyt-J-J--Cu-Pb--LAMMPS--ipr1 # composition = Cu2Pb # 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 -8.355481124e+02 0.92 -6.234635676e+02 0.94 -4.579635544e+02 0.96 -3.297151058e+02 0.98 -2.318453545e+02 1.00 -1.573525015e+02 1.02 -1.008140401e+02 1.04 -5.830045216e+01 1.06 -2.716767631e+01 1.08 -4.237261337e+00 1.10 1.239226109e+01 1.12 2.413717399e+01 1.14 3.211123198e+01 1.16 3.739050355e+01 1.18 4.065122492e+01 1.20 4.236360578e+01 1.22 4.294204142e+01 1.24 4.272379980e+01 1.26 4.193447562e+01 1.28 4.071900348e+01 1.30 3.923231131e+01 1.32 3.757413023e+01 1.34 3.581268552e+01 1.36 3.399255456e+01 1.38 3.217409573e+01 1.40 3.038135204e+01 1.42 2.862653148e+01 1.44 2.691807700e+01 1.46 2.526738146e+01 1.48 2.368277037e+01 1.50 2.216643358e+01 1.52 2.072246165e+01 1.54 1.934980824e+01 1.56 1.804885441e+01 1.58 1.681485089e+01 1.60 1.564487762e+01 1.62 1.452652456e+01 1.64 1.346510898e+01 1.66 1.245864939e+01 1.68 1.150481005e+01 1.70 1.059983727e+01 1.72 9.742881352e+00 1.74 8.931876072e+00 1.76 8.164212593e+00 1.78 7.438502898e+00 1.80 6.754303041e+00 1.82 6.110948385e+00 1.84 5.507556440e+00 1.86 4.943263423e+00 1.88 4.415937762e+00 1.90 3.923852539e+00 1.92 3.463520972e+00 1.94 3.032409575e+00 1.96 2.631029443e+00 1.98 2.257014252e+00 2.00 1.908811757e+00 2.02 1.584788131e+00 2.04 1.283651695e+00 2.06 1.004111132e+00 2.08 7.449564697e-01 2.10 5.049182247e-01 2.12 2.839008573e-01 2.14 8.034290154e-02 2.16 -1.078489975e-01 2.18 -2.811746586e-01 2.20 -4.405809625e-01 2.22 -5.876639190e-01 2.24 -7.231652116e-01 2.26 -8.476632919e-01 2.28 -9.620801138e-01 2.30 -1.067147503e+00 2.32 -1.162629553e+00 2.34 -1.249065821e+00 2.36 -1.326927266e+00 2.38 -1.396768604e+00 2.40 -1.459268849e+00 2.42 -1.515078635e+00 2.44 -1.564154327e+00 2.46 -1.607555260e+00 2.48 -1.511234377e+00 2.50 2.352809347e+00 2.52 1.365743712e+00 2.54 5.366916505e-01 2.56 -1.505456357e-01 2.58 -7.151542121e-01 2.60 -1.166173145e+00 2.62 -1.525779236e+00 2.64 -1.809226502e+00 2.66 -2.027212468e+00 2.68 -2.189221016e+00 2.70 -2.303897979e+00 2.72 -2.379441893e+00 2.74 -2.423186625e+00 2.76 -2.441696768e+00 2.78 -2.439836681e+00 2.80 -2.426290290e+00 2.82 -2.407058870e+00 2.84 -2.385192647e+00 2.86 -2.359660487e+00 2.88 -2.329834983e+00 2.90 -2.294048189e+00 2.92 -2.252760840e+00 2.94 -2.208169095e+00 2.96 -2.163495523e+00 2.98 -2.120149775e+00 3.00 -2.078493745e+00 3.02 -2.038133701e+00 3.04 -1.999458598e+00 3.06 -1.962438458e+00 3.08 -1.926209255e+00 3.10 -1.890638766e+00 3.12 -1.855614620e+00 3.14 -1.821063877e+00 3.16 -1.786942915e+00 3.18 -1.753267851e+00 3.20 -1.720078615e+00 3.22 -1.687492396e+00 3.24 -1.655661522e+00 3.26 -1.624755953e+00 3.28 -1.595031270e+00 3.30 -1.566742206e+00 3.32 -1.540130153e+00 3.34 -1.515468237e+00 3.36 -1.493050283e+00 3.38 -1.472807850e+00 3.40 -1.453255330e+00 3.42 -1.434104531e+00 3.44 -1.415370769e+00 3.46 -1.397025864e+00 3.48 -1.379068765e+00 3.50 -1.361509382e+00 3.52 -1.344341303e+00 3.54 -1.327555225e+00 3.56 -1.311160236e+00 3.58 -1.295150373e+00 3.60 -1.279519067e+00 3.62 -1.264265630e+00 3.64 -1.249379670e+00 3.66 -1.234862522e+00 3.68 -1.220703606e+00 3.70 -1.206893784e+00 3.72 -1.193423191e+00 3.74 -1.180292305e+00 3.76 -1.167487642e+00 3.78 -1.154994859e+00 3.80 -1.142809937e+00 3.82 -1.130928362e+00 3.84 -1.119330257e+00 3.86 -1.108005432e+00 3.88 -1.096954613e+00 3.90 -1.086158684e+00 3.92 -1.075604034e+00 3.94 -1.065283558e+00 3.96 -1.055190437e+00 3.98 -1.045305421e+00 4.00 -1.035619232e+00 4.02 -1.026122983e+00 4.04 -1.016804444e+00 4.06 -1.007649181e+00 4.08 -9.986473273e-01 4.10 -9.897872318e-01 4.12 -9.810561910e-01 4.14 -9.724418373e-01 4.16 -9.639305535e-01 4.18 -9.555130783e-01 4.20 -9.471760540e-01 4.22 -9.389053063e-01 4.24 -9.306891513e-01 4.26 -9.225183471e-01 4.28 -9.143655085e-01 4.30 -9.066071100e-01 4.32 -8.990169298e-01 4.34 -8.913913708e-01 4.36 -8.837191211e-01 4.38 -8.759842201e-01 4.40 -8.681766405e-01 4.42 -8.602804508e-01 4.44 -8.522793238e-01 4.46 -8.441575743e-01 4.48 -8.359050202e-01 4.50 -8.274991936e-01 4.52 -8.189164168e-01 4.54 -8.101316613e-01 4.56 -8.011178209e-01 4.58 -7.918434155e-01 4.60 -7.822850570e-01 4.62 -7.724302171e-01 4.64 -7.622782787e-01 4.66 -7.518253441e-01 4.68 -7.410682961e-01 4.70 -7.299839445e-01 4.72 -7.185390825e-01 4.74 -7.066997432e-01 4.76 -6.944295528e-01 4.78 -6.816955924e-01 4.80 -6.684634339e-01 4.82 -6.546938529e-01 4.84 -6.403453706e-01 4.86 -6.253599729e-01 4.88 -6.096906106e-01 4.90 -5.932791558e-01 4.92 -5.761306574e-01 4.94 -5.584620343e-01 4.96 -5.404344988e-01 4.98 -5.220474141e-01 5.00 -5.032060397e-01 5.02 -4.839192328e-01 5.04 -4.642069089e-01 5.06 -4.440812626e-01 5.08 -4.235321146e-01 5.10 -4.026069592e-01 5.12 -3.813496636e-01 5.14 -3.596048189e-01 5.16 -3.374694385e-01 5.18 -3.152282422e-01 5.20 -2.931543416e-01 5.22 -2.716860915e-01 5.24 -2.501243044e-01 5.26 -2.275779951e-01 5.28 -2.035231360e-01 5.30 -1.777499734e-01 5.32 -1.503292951e-01 5.34 -1.228544025e-01 5.36 -9.674750589e-02 5.38 -7.301144166e-02 5.40 -5.230978862e-02 5.42 -3.502652775e-02 5.44 -2.134359314e-02 5.46 -1.131843599e-02 5.48 -4.954873678e-03 5.50 -2.275615687e-03 5.52 -1.882140674e-03 5.54 -1.659098368e-03 5.56 -1.442528108e-03 5.58 -1.234629669e-03 5.60 -1.035070677e-03 5.62 -8.435305403e-04 5.64 -6.597000828e-04 5.66 -4.832811926e-04 5.68 -3.139864883e-04 5.70 -1.520434211e-04 5.72 1.987981345e-06 5.74 -2.795973303e-07 5.76 -1.387778781e-16 5.78 -1.387778781e-16 5.80 -1.387778781e-16 5.82 -1.387778781e-16 5.84 -1.387778781e-16 5.86 -1.387778781e-16 5.88 -1.387778781e-16 5.90 -1.387778781e-16 5.92 -1.387778781e-16 5.94 -1.387778781e-16 5.96 -1.387778781e-16 5.98 -1.387778781e-16 6.00 -1.387778781e-16