# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1995--Angelo-J-E-Moody-N-R-Baskes-M-I--Ni-Al-H # implementation = 1995--Angelo-J-E--Ni-Al-H--LAMMPS--ipr1 # composition = AlNi2 # 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 1.355714597e+02 0.90 1.262250276e+02 0.92 1.176842136e+02 0.94 1.098512709e+02 0.96 1.026549907e+02 0.98 9.605077017e+01 1.00 8.996754897e+01 1.02 8.436319640e+01 1.04 7.916871919e+01 1.06 7.435860837e+01 1.08 6.986780198e+01 1.10 6.566920768e+01 1.12 6.175951204e+01 1.14 5.810088789e+01 1.16 5.467931615e+01 1.18 5.147383233e+01 1.20 4.844245112e+01 1.22 4.554872491e+01 1.24 4.278970755e+01 1.26 4.017563497e+01 1.28 3.768013604e+01 1.30 3.529192028e+01 1.32 3.300815450e+01 1.34 3.083425698e+01 1.36 2.876695767e+01 1.38 2.679907979e+01 1.40 2.492877154e+01 1.42 2.314879053e+01 1.44 2.145381754e+01 1.46 1.984693518e+01 1.48 1.832528042e+01 1.50 1.688018189e+01 1.52 1.550580743e+01 1.54 1.420712500e+01 1.56 1.297859489e+01 1.58 1.181124319e+01 1.60 1.070541468e+01 1.62 9.667391501e+00 1.64 8.691817005e+00 1.66 7.770954507e+00 1.68 6.902372481e+00 1.70 6.085504612e+00 1.72 5.317586219e+00 1.74 4.593800744e+00 1.76 3.908686331e+00 1.78 3.256990902e+00 1.80 2.635502686e+00 1.82 2.046269488e+00 1.84 1.496694623e+00 1.86 9.891629235e-01 1.88 5.195198152e-01 1.90 8.258358329e-02 1.92 -3.255923606e-01 1.94 -7.071720880e-01 1.96 -1.062996601e+00 1.98 -1.393069549e+00 2.00 -1.698378639e+00 2.02 -1.980410942e+00 2.04 -2.240298570e+00 2.06 -2.478894292e+00 2.08 -2.697350558e+00 2.10 -2.897674228e+00 2.12 -3.082397041e+00 2.14 -3.253384212e+00 2.16 -3.410287248e+00 2.18 -3.550609025e+00 2.20 -3.672345285e+00 2.22 -3.776386505e+00 2.24 -3.864701154e+00 2.26 -3.939711829e+00 2.28 -4.002955165e+00 2.30 -4.054989389e+00 2.32 -4.096107375e+00 2.34 -4.126244371e+00 2.36 -4.144812587e+00 2.38 -4.150760532e+00 2.40 -4.143180888e+00 2.42 -4.122205225e+00 2.44 -4.089770532e+00 2.46 -4.048938591e+00 2.48 -4.001667017e+00 2.50 -3.949043801e+00 2.52 -3.891953451e+00 2.54 -3.830990981e+00 2.56 -3.766667000e+00 2.58 -3.699481252e+00 2.60 -3.629930430e+00 2.62 -3.558510354e+00 2.64 -3.485731242e+00 2.66 -3.412114256e+00 2.68 -3.338205215e+00 2.70 -3.264580078e+00 2.72 -3.191848133e+00 2.74 -3.120645719e+00 2.76 -3.051609278e+00 2.78 -2.985308592e+00 2.80 -2.922111308e+00 2.82 -2.861956478e+00 2.84 -2.804088325e+00 2.86 -2.747048179e+00 2.88 -2.689443193e+00 2.90 -2.630903910e+00 2.92 -2.571675122e+00 2.94 -2.512068404e+00 2.96 -2.452369250e+00 2.98 -2.392882880e+00 3.00 -2.333918735e+00 3.02 -2.275681240e+00 3.04 -2.218255397e+00 3.06 -2.161689659e+00 3.08 -2.106028877e+00 3.10 -2.051313934e+00 3.12 -1.997585315e+00 3.14 -1.944882694e+00 3.16 -1.893246572e+00 3.18 -1.842721248e+00 3.20 -1.793350935e+00 3.22 -1.745186855e+00 3.24 -1.698283810e+00 3.26 -1.652700558e+00 3.28 -1.608496814e+00 3.30 -1.565726670e+00 3.32 -1.524425662e+00 3.34 -1.484589412e+00 3.36 -1.446145201e+00 3.38 -1.408927981e+00 3.40 -1.372698495e+00 3.42 -1.337243906e+00 3.44 -1.302463716e+00 3.46 -1.268323818e+00 3.48 -1.234794276e+00 3.50 -1.201842830e+00 3.52 -1.169435635e+00 3.54 -1.137538905e+00 3.56 -1.106122080e+00 3.58 -1.075163327e+00 3.60 -1.044658289e+00 3.62 -1.014630102e+00 3.64 -9.851319120e-01 3.66 -9.562420054e-01 3.68 -9.280167969e-01 3.70 -9.004791904e-01 3.72 -8.736289230e-01 3.74 -8.474653933e-01 3.76 -8.219907945e-01 3.78 -7.972093161e-01 3.80 -7.731276949e-01 3.82 -7.497561622e-01 3.84 -7.271081876e-01 3.86 -7.051997460e-01 3.88 -6.840504402e-01 3.90 -6.636825317e-01 3.92 -6.441211949e-01 3.94 -6.253917020e-01 3.96 -6.075172826e-01 3.98 -5.905161318e-01 4.00 -5.743938341e-01 4.02 -5.591364332e-01 4.04 -5.447023929e-01 4.06 -5.310143842e-01 4.08 -5.179570352e-01 4.10 -5.053928065e-01 4.12 -4.931993094e-01 4.14 -4.813039813e-01 4.16 -4.696867383e-01 4.18 -4.583442506e-01 4.20 -4.472720207e-01 4.22 -4.364710506e-01 4.24 -4.259414918e-01 4.26 -4.156854494e-01 4.28 -4.057064485e-01 4.30 -3.960043057e-01 4.32 -3.863421159e-01 4.34 -3.767859584e-01 4.36 -3.677296489e-01 4.38 -3.594909807e-01 4.40 -3.522065196e-01 4.42 -3.450405901e-01 4.44 -3.372729877e-01 4.46 -3.284788233e-01 4.48 -3.184997232e-01 4.50 -3.078226635e-01 4.52 -2.970844865e-01 4.54 -2.866219169e-01 4.56 -2.766240785e-01 4.58 -2.671652215e-01 4.60 -2.582356780e-01 4.62 -2.497696899e-01 4.64 -2.416683960e-01 4.66 -2.338164605e-01 4.68 -2.260919309e-01 4.70 -2.183713029e-01 4.72 -2.105347433e-01 4.74 -2.024765979e-01 4.76 -1.941131882e-01 4.78 -1.854778072e-01 4.80 -1.766506034e-01 4.82 -1.677102217e-01 4.84 -1.587247915e-01 4.86 -1.497521991e-01 4.88 -1.408414619e-01 4.90 -1.320339756e-01 4.92 -1.233646284e-01 4.94 -1.148627981e-01 4.96 -1.065532441e-01 4.98 -9.845690713e-02 5.00 -9.059162733e-02 5.02 -8.297278962e-02 5.04 -7.561390500e-02 5.06 -6.852713479e-02 5.08 -6.172376200e-02 5.10 -5.521461418e-02 5.12 -4.901043698e-02 5.14 -4.312221709e-02 5.16 -3.756144618e-02 5.18 -3.234031392e-02 5.20 -2.747180844e-02 5.22 -2.296969338e-02 5.24 -1.884831609e-02 5.26 -1.512218494e-02 5.28 -1.180523280e-02 5.30 -8.909663942e-03 5.32 -6.444264502e-03 5.34 -4.412067147e-03 5.36 -2.807310173e-03 5.38 -1.611807646e-03 5.40 -7.911846601e-04 5.42 -2.921104899e-04 5.44 -4.258649014e-05 5.46 4.176913281e-05 5.48 4.330833898e-05 5.50 2.289546066e-05 5.52 8.133685668e-06 5.54 1.933204833e-06 5.56 2.464704750e-07 5.58 9.886038374e-09 5.60 3.360280620e-11 5.62 1.158785672e-14 5.64 5.517067516e-23 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