# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Bonny-G-Pasianot-R-C-Castin-N-Malerba-L--Fe-Cu-Ni # implementation = 2009--Bonny-G--Fe-Cu-Ni--LAMMPS--ipr1 # composition = CuNi3 # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 4.350146542e+02 nan nan 0.92 3.943429489e+02 nan nan 0.94 3.574850941e+02 nan nan 0.96 3.240380486e+02 nan nan 0.98 2.936387071e+02 nan nan 1.00 2.659724442e+02 4.041468356e+02 4.532935148e+02 1.02 2.407758125e+02 3.696737084e+02 4.155777937e+02 1.04 2.177634606e+02 3.377800248e+02 3.810007208e+02 1.06 1.967087537e+02 3.082818131e+02 3.492505148e+02 1.08 1.774218776e+02 2.810115582e+02 3.200406070e+02 1.10 1.597793687e+02 2.558408223e+02 2.931014014e+02 1.12 1.436636512e+02 2.326599139e+02 2.682173536e+02 1.14 1.289455597e+02 2.113475673e+02 2.452323817e+02 1.16 1.155069135e+02 1.917540984e+02 2.240035883e+02 1.18 1.032546628e+02 1.737592420e+02 2.043959326e+02 1.20 9.210242780e+01 1.572563291e+02 1.862919376e+02 1.22 8.196511440e+01 1.421359111e+02 1.695803893e+02 1.24 7.277990277e+01 1.282885955e+02 1.541581894e+02 1.26 6.448097215e+01 1.156137232e+02 1.399423552e+02 1.28 5.699961945e+01 1.040292096e+02 1.268519907e+02 1.30 5.026918276e+01 9.345824788e+01 1.148046209e+02 1.32 4.423390159e+01 8.382183779e+01 1.037231507e+02 1.34 3.885283054e+01 7.505763074e+01 9.353995619e+01 1.36 3.407772280e+01 6.709913738e+01 8.420766027e+01 1.38 2.985967318e+01 5.988097881e+01 7.566563783e+01 1.40 2.615368324e+01 5.334653327e+01 6.786195214e+01 1.42 2.291910377e+01 4.745622587e+01 6.075262970e+01 1.44 2.012145843e+01 4.217165181e+01 5.428728733e+01 1.46 1.772241924e+01 3.744549511e+01 4.842139209e+01 1.48 1.568448366e+01 3.323385894e+01 4.311641801e+01 1.50 1.397273992e+01 2.949894794e+01 3.833070638e+01 1.52 1.225004631e+01 2.620087921e+01 3.402442869e+01 1.54 1.053691705e+01 2.330128961e+01 3.016857075e+01 1.56 9.039958480e+00 2.076319363e+01 2.673248592e+01 1.58 7.741990964e+00 1.855123382e+01 2.368426303e+01 1.60 6.610075265e+00 1.663116745e+01 2.099341753e+01 1.62 5.621646962e+00 1.497600877e+01 1.863815207e+01 1.64 4.755151741e+00 1.355301385e+01 1.659504918e+01 1.66 3.987967688e+00 1.197902907e+01 1.483806438e+01 1.68 3.297918892e+00 1.043794732e+01 1.334185270e+01 1.70 2.663229539e+00 9.050240415e+00 1.191264193e+01 1.72 2.067113271e+00 7.808379753e+00 1.037285796e+01 1.74 1.504605110e+00 6.694441312e+00 9.010659925e+00 1.76 9.747062935e-01 5.693998220e+00 7.810457088e+00 1.78 4.787329009e-01 4.796008204e+00 6.750172540e+00 1.80 1.543771302e-02 3.989596011e+00 5.806519216e+00 1.82 -4.165002068e-01 3.263995634e+00 4.964511142e+00 1.84 -8.177455820e-01 2.608520749e+00 4.213990281e+00 1.86 -1.188688937e+00 2.012400828e+00 3.540168223e+00 1.88 -1.530807127e+00 1.465889776e+00 2.927535960e+00 1.90 -1.847410776e+00 9.586220842e-01 2.360679621e+00 1.92 -2.139115669e+00 4.823921305e-01 1.826253468e+00 1.94 -2.406392159e+00 3.626550670e-02 1.319911464e+00 1.96 -2.649891311e+00 -3.805580706e-01 8.409184357e-01 1.98 -2.870350938e+00 -7.686876234e-01 3.895807757e-01 2.00 -3.068516767e+00 -1.128614322e+00 -3.456254723e-02 2.02 -3.245132778e+00 -1.461145274e+00 -4.323970950e-01 2.04 -3.400960323e+00 -1.767480033e+00 -8.047582129e-01 2.06 -3.536394281e+00 -2.050763968e+00 -1.152402390e+00 2.08 -3.652027851e+00 -2.312293636e+00 -1.475980949e+00 2.10 -3.750269945e+00 -2.552338524e+00 -1.776539958e+00 2.12 -3.833230483e+00 -2.771541986e+00 -2.057063988e+00 2.14 -3.902033360e+00 -2.970727325e+00 -2.318469757e+00 2.16 -3.957364698e+00 -3.150697423e+00 -2.560706053e+00 2.18 -3.999668591e+00 -3.312221333e+00 -2.783422417e+00 2.20 -4.029826480e+00 -3.456044193e+00 -2.987159574e+00 2.22 -4.048692099e+00 -3.582871014e+00 -3.172396779e+00 2.24 -4.057084767e+00 -3.693402534e+00 -3.339586359e+00 2.26 -4.055786703e+00 -3.788345984e+00 -3.489157982e+00 2.28 -4.045558494e+00 -3.868616534e+00 -3.621522673e+00 2.30 -4.027210778e+00 -3.935847036e+00 -3.737082700e+00 2.32 -4.001536751e+00 -3.990980371e+00 -3.836474725e+00 2.34 -3.969279701e+00 -4.035291373e+00 -3.921113773e+00 2.36 -3.931131598e+00 -4.069696965e+00 -3.992712235e+00 2.38 -3.887652391e+00 -4.095010502e+00 -4.052415680e+00 2.40 -3.839067499e+00 -4.112012019e+00 -4.101090831e+00 2.42 -3.786613910e+00 -4.121159609e+00 -4.138916582e+00 2.44 -3.731695252e+00 -4.123035318e+00 -4.166422270e+00 2.46 -3.674735131e+00 -4.118305059e+00 -4.184381423e+00 2.48 -3.616155563e+00 -4.107610216e+00 -4.193556888e+00 2.50 -3.556378148e+00 -4.091581616e+00 -4.194668091e+00 2.52 -3.495819030e+00 -4.070249242e+00 -4.188391042e+00 2.54 -3.434867013e+00 -4.043338113e+00 -4.175357538e+00 2.56 -3.373919156e+00 -4.011180259e+00 -4.156153183e+00 2.58 -3.312521783e+00 -3.974013671e+00 -4.131321386e+00 2.60 -3.250090906e+00 -3.931980141e+00 -4.101371889e+00 2.62 -3.186856648e+00 -3.885258584e+00 -4.066790977e+00 2.64 -3.123054347e+00 -3.835337278e+00 -4.028045940e+00 2.66 -3.058913509e+00 -3.783302629e+00 -3.985498472e+00 2.68 -2.994579740e+00 -3.729377243e+00 -3.939300841e+00 2.70 -2.930175014e+00 -3.673737167e+00 -3.889632874e+00 2.72 -2.865819872e+00 -3.616552504e+00 -3.838159396e+00 2.74 -2.801607432e+00 -3.558031029e+00 -3.785750537e+00 2.76 -2.737614522e+00 -3.498385311e+00 -3.732768171e+00 2.78 -2.673904141e+00 -3.437806853e+00 -3.679199084e+00 2.80 -2.610527755e+00 -3.376495221e+00 -3.624371380e+00 2.82 -2.547526137e+00 -3.314662469e+00 -3.568414501e+00 2.84 -2.484928488e+00 -3.252532190e+00 -3.511454551e+00 2.86 -2.422750461e+00 -3.190334762e+00 -3.453602054e+00 2.88 -2.360992527e+00 -3.128303430e+00 -3.394973771e+00 2.90 -2.299649407e+00 -3.066671947e+00 -3.335691864e+00 2.92 -2.238718014e+00 -3.005671922e+00 -3.275881870e+00 2.94 -2.178178302e+00 -2.945471112e+00 -3.215669947e+00 2.96 -2.117980968e+00 -2.885488137e+00 -3.155179538e+00 2.98 -2.058357963e+00 -2.825614120e+00 -3.094510077e+00 3.00 -1.999585330e+00 -2.765923702e+00 -3.033719953e+00 3.02 -1.941655694e+00 -2.706479862e+00 -2.972878920e+00 3.04 -1.884563996e+00 -2.647335578e+00 -2.912077689e+00 3.06 -1.828311112e+00 -2.588532587e+00 -2.851398520e+00 3.08 -1.772900816e+00 -2.530100297e+00 -2.790914816e+00 3.10 -1.718337922e+00 -2.472054244e+00 -2.730692813e+00 3.12 -1.664629314e+00 -2.414395577e+00 -2.670792609e+00 3.14 -1.611782658e+00 -2.357112111e+00 -2.611269062e+00 3.16 -1.559805092e+00 -2.300180184e+00 -2.552171970e+00 3.18 -1.508702535e+00 -2.243566557e+00 -2.493546480e+00 3.20 -1.458478949e+00 -2.187232109e+00 -2.435429656e+00 3.22 -1.409137316e+00 -2.131181073e+00 -2.377847308e+00 3.24 -1.360682525e+00 -2.075648013e+00 -2.320819426e+00 3.26 -1.313121755e+00 -2.020668896e+00 -2.264361617e+00 3.28 -1.266462248e+00 -1.966338807e+00 -2.208485323e+00 3.30 -1.220711142e+00 -1.912731419e+00 -2.153193920e+00 3.32 -1.175875410e+00 -1.859856511e+00 -2.098495269e+00 3.34 -1.131961676e+00 -1.807722926e+00 -2.044720500e+00 3.36 -1.088976273e+00 -1.756337964e+00 -1.992034192e+00 3.38 -1.046925078e+00 -1.705706736e+00 -1.940473413e+00 3.40 -1.005813594e+00 -1.655831973e+00 -1.889963464e+00 3.42 -9.656466745e-01 -1.606715886e+00 -1.840160267e+00 3.44 -9.264287413e-01 -1.558361007e+00 -1.791039067e+00 3.46 -8.881635827e-01 -1.510770139e+00 -1.742602168e+00 3.48 -8.508545110e-01 -1.463946357e+00 -1.694852395e+00 3.50 -8.145045077e-01 -1.417892960e+00 -1.647793039e+00 3.52 -7.791159663e-01 -1.372613460e+00 -1.601427703e+00 3.54 -7.446912391e-01 -1.328111426e+00 -1.555759996e+00 3.56 -7.112321968e-01 -1.284390515e+00 -1.510793194e+00 3.58 -6.787404790e-01 -1.241454368e+00 -1.466529732e+00 3.60 -6.472185323e-01 -1.199306556e+00 -1.422970796e+00 3.62 -6.166681815e-01 -1.157951440e+00 -1.380117340e+00 3.64 -5.870917912e-01 -1.117394245e+00 -1.337970186e+00 3.66 -5.584924190e-01 -1.077640016e+00 -1.296528781e+00 3.68 -5.308739446e-01 -1.038693887e+00 -1.255791591e+00 3.70 -5.042413141e-01 -1.000562262e+00 -1.215757045e+00 3.72 -4.786007101e-01 -9.632518370e-01 -1.176424032e+00 3.74 -4.539599871e-01 -9.267689115e-01 -1.137792347e+00 3.76 -4.303292136e-01 -8.911193306e-01 -1.099862919e+00 3.78 -4.077212337e-01 -8.563088701e-01 -1.062637634e+00 3.80 -3.861518036e-01 -8.223429898e-01 -1.026119139e+00 3.82 -3.656428580e-01 -7.892266653e-01 -9.903103801e-01 3.84 -3.462228630e-01 -7.569652233e-01 -9.552141193e-01 3.86 -3.279201054e-01 -7.255634731e-01 -9.208323348e-01 3.88 -3.107750575e-01 -6.950261449e-01 -8.871666690e-01 3.90 -2.948226739e-01 -6.653584573e-01 -8.542172600e-01 3.92 -2.800328272e-01 -6.365658078e-01 -8.219832536e-01 3.94 -2.658627531e-01 -6.086537885e-01 -7.904629326e-01 3.96 -2.522210554e-01 -5.816281300e-01 -7.596536887e-01 3.98 -2.390982313e-01 -5.554942853e-01 -7.295525657e-01 4.00 -2.264825430e-01 -5.302585336e-01 -7.001560330e-01 4.02 -2.143932252e-01 -5.059280235e-01 -6.714596110e-01 4.04 -2.028076746e-01 -4.825109639e-01 -6.434582236e-01 4.06 -1.917171921e-01 -4.600170061e-01 -6.161465195e-01 4.08 -1.811537842e-01 -4.384580257e-01 -5.895187564e-01 4.10 -1.710931388e-01 -4.178473598e-01 -5.635684535e-01 4.12 -1.614990967e-01 -3.982005314e-01 -5.382885797e-01 4.14 -1.524288824e-01 -3.795362985e-01 -5.136717850e-01 4.16 -1.439132884e-01 -3.617817338e-01 -4.897102531e-01 4.18 -1.358647769e-01 -3.445920798e-01 -4.663959966e-01 4.20 -1.282364483e-01 -3.279180358e-01 -4.437210497e-01 4.22 -1.211019579e-01 -3.117540175e-01 -4.216772053e-01 4.24 -1.145169722e-01 -2.960823517e-01 -4.002555655e-01 4.26 -1.084289343e-01 -2.808991073e-01 -3.794496051e-01 4.28 -1.027794413e-01 -2.661860542e-01 -3.592549098e-01 4.30 -9.746082907e-02 -2.519372455e-01 -3.396638131e-01 4.32 -9.227340472e-02 -2.381493450e-01 -3.206737388e-01 4.34 -8.722641458e-02 -2.247985128e-01 -3.022800949e-01 4.36 -8.232772277e-02 -2.118906059e-01 -2.844725955e-01 4.38 -7.758767749e-02 -1.994298975e-01 -2.672601263e-01 4.40 -7.301349545e-02 -1.873605778e-01 -2.506183497e-01 4.42 -6.861132223e-02 -1.757727055e-01 -2.345742991e-01 4.44 -6.438845969e-02 -1.645929837e-01 -2.190869225e-01 4.46 -6.035318025e-02 -1.537954672e-01 -2.042026358e-01 4.48 -5.651476882e-02 -1.433587852e-01 -1.898723416e-01 4.50 -5.288342003e-02 -1.332977126e-01 -1.761378918e-01 4.52 -4.946990134e-02 -1.236358128e-01 -1.630667803e-01 4.54 -4.628496561e-02 -1.143415825e-01 -1.504585698e-01 4.56 -4.333643051e-02 -1.054360185e-01 -1.384577863e-01 4.58 -4.061602254e-02 -9.696912808e-02 -1.271116341e-01 4.60 -3.814092127e-02 -8.898230429e-02 -1.162675994e-01 4.62 -3.592527581e-02 -8.150925657e-02 -1.059726137e-01 4.64 -3.397308612e-02 -7.458563060e-02 -9.632134163e-02 4.66 -3.228284054e-02 -6.824209421e-02 -8.738527113e-02 4.68 -3.085205849e-02 -6.250226624e-02 -7.924029431e-02 4.70 -2.967505829e-02 -5.741495027e-02 -7.195509352e-02 4.72 -2.874444298e-02 -5.301922169e-02 -6.559794941e-02 4.74 -2.805281214e-02 -4.934510749e-02 -6.023378781e-02 4.76 -2.759407301e-02 -4.641842130e-02 -5.592343233e-02 4.78 -2.736434116e-02 -4.426448538e-02 -5.272465248e-02 4.80 -2.733113840e-02 -4.280262477e-02 -5.053498094e-02 4.82 -2.732937219e-02 -4.148777277e-02 -4.856270295e-02 4.84 -2.733142358e-02 -4.023898097e-02 -4.668951524e-02 4.86 -2.733439983e-02 -3.905523030e-02 -4.491388925e-02 4.88 -2.733668907e-02 -3.793558483e-02 -4.323442103e-02 4.90 -2.733775099e-02 -3.687786134e-02 -4.164783580e-02 4.92 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