# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Jeong-G-U-Park-C-S-Do-H-S-et-al--Pd-Ni # implementation = 2018--Jeong-G-U--Pd-Ni--LAMMPS--ipr1 # composition = Ni2Pd # 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 7.310563887e+02 0.86 6.802610168e+02 0.88 6.328188021e+02 0.90 5.885162480e+02 0.92 5.471530530e+02 0.94 5.085413165e+02 0.96 4.725047899e+02 0.98 4.388781739e+02 1.00 4.075064554e+02 1.02 3.782442848e+02 1.04 3.509553895e+02 1.06 3.255120224e+02 1.08 3.017944433e+02 1.10 2.796904303e+02 1.12 2.590948212e+02 1.14 2.399090818e+02 1.16 2.220408997e+02 1.18 2.054038030e+02 1.20 1.899168012e+02 1.22 1.755040476e+02 1.24 1.620945226e+02 1.26 1.496217355e+02 1.28 1.380234439e+02 1.30 1.272413912e+02 1.32 1.172210583e+02 1.34 1.079114319e+02 1.36 9.926478572e+01 1.38 9.123647537e+01 1.40 8.378474576e+01 1.42 7.687055006e+01 1.44 7.045737972e+01 1.46 6.451110489e+01 1.48 5.899982458e+01 1.50 5.389372595e+01 1.52 4.916495228e+01 1.54 4.478747901e+01 1.56 4.073699738e+01 1.58 3.699080532e+01 1.60 3.352770500e+01 1.62 3.032790672e+01 1.64 2.737293877e+01 1.66 2.464556291e+01 1.68 2.212969502e+01 1.70 1.981033077e+01 1.72 1.767347590e+01 1.74 1.570608083e+01 1.76 1.389597942e+01 1.78 1.223183149e+01 1.80 1.070306905e+01 1.82 9.299845838e+00 1.84 8.012990077e+00 1.86 6.833960209e+00 1.88 5.754803439e+00 1.90 4.768116907e+00 1.92 3.867011328e+00 1.94 3.045076950e+00 1.96 2.296351694e+00 1.98 1.615291320e+00 2.00 9.967415175e-01 2.02 4.359117880e-01 2.04 -7.164899370e-02 2.06 -5.300754353e-01 2.08 -9.432070046e-01 2.10 -1.314608023e+00 2.12 -1.647586354e+00 2.14 -1.945210877e+00 2.16 -2.210327820e+00 2.18 -2.445576020e+00 2.20 -2.653401180e+00 2.22 -2.836069196e+00 2.24 -2.995678610e+00 2.26 -3.134172166e+00 2.28 -3.253347733e+00 2.30 -3.354868416e+00 2.32 -3.440271984e+00 2.34 -3.510979697e+00 2.36 -3.568304537e+00 2.38 -3.613458881e+00 2.40 -3.647561657e+00 2.42 -3.671645017e+00 2.44 -3.686660556e+00 2.46 -3.693485113e+00 2.48 -3.692926164e+00 2.50 -3.685726863e+00 2.52 -3.672570720e+00 2.54 -3.654085968e+00 2.56 -3.630849622e+00 2.58 -3.603391263e+00 2.60 -3.572196548e+00 2.62 -3.537710486e+00 2.64 -3.500340481e+00 2.66 -3.460459154e+00 2.68 -3.418406978e+00 2.70 -3.374494714e+00 2.72 -3.329005686e+00 2.74 -3.282197881e+00 2.76 -3.234305910e+00 2.78 -3.185542818e+00 2.80 -3.136101772e+00 2.82 -3.086157621e+00 2.84 -3.035868340e+00 2.86 -2.985376379e+00 2.88 -2.934809900e+00 2.90 -2.884283930e+00 2.92 -2.833901429e+00 2.94 -2.783754273e+00 2.96 -2.733924169e+00 2.98 -2.684483497e+00 3.00 -2.635496093e+00 3.02 -2.587017964e+00 3.04 -2.539097962e+00 3.06 -2.491778389e+00 3.08 -2.445095571e+00 3.10 -2.399080378e+00 3.12 -2.353758707e+00 3.14 -2.309151927e+00 3.16 -2.265277285e+00 3.18 -2.222148289e+00 3.20 -2.179775047e+00 3.22 -2.138164593e+00 3.24 -2.097321179e+00 3.26 -2.057246540e+00 3.28 -2.017940148e+00 3.30 -1.979399439e+00 3.32 -1.941620017e+00 3.34 -1.904595853e+00 3.36 -1.868319458e+00 3.38 -1.832782046e+00 3.40 -1.797973681e+00 3.42 -1.763883417e+00 3.44 -1.730499424e+00 3.46 -1.697809100e+00 3.48 -1.665799180e+00 3.50 -1.634455836e+00 3.52 -1.603764762e+00 3.54 -1.573711266e+00 3.56 -1.544280338e+00 3.58 -1.515456730e+00 3.60 -1.487225016e+00 3.62 -1.459569661e+00 3.64 -1.432475069e+00 3.66 -1.405925648e+00 3.68 -1.379905852e+00 3.70 -1.354400233e+00 3.72 -1.329393481e+00 3.74 -1.304870472e+00 3.76 -1.280816300e+00 3.78 -1.257216320e+00 3.80 -1.234056178e+00 3.82 -1.211332105e+00 3.84 -1.189873702e+00 3.86 -1.170234000e+00 3.88 -1.105284708e+00 3.90 -9.861124099e-01 3.92 -9.623190821e-01 3.94 -9.390034864e-01 3.96 -9.161603927e-01 3.98 -8.937843102e-01 4.00 -8.718695318e-01 4.02 -8.504101699e-01 4.04 -8.294001871e-01 4.06 -8.088334222e-01 4.08 -7.887036118e-01 4.10 -7.690044093e-01 4.12 -7.497294012e-01 4.14 -7.308721219e-01 4.16 -7.124260663e-01 4.18 -6.943847012e-01 4.20 -6.767414763e-01 4.22 -6.594898334e-01 4.24 -6.426232153e-01 4.26 -6.261350736e-01 4.28 -6.100188762e-01 4.30 -5.942681138e-01 4.32 -5.788763061e-01 4.34 -5.638370073e-01 4.36 -5.491438113e-01 4.38 -5.347903562e-01 4.40 -5.207703286e-01 4.42 -5.060746976e-01 4.44 -4.780336400e-01 4.46 -4.027016323e-01 4.48 -2.286323535e-01 4.50 -2.411303393e-22 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00