# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = CuPd3 # 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 8.324521617e+02 nan nan 0.88 7.523223508e+02 nan nan 0.90 6.808845155e+02 nan nan 0.92 6.170987302e+02 nan nan 0.94 5.600553758e+02 nan nan 0.96 5.089602124e+02 7.494499066e+02 8.499035021e+02 0.98 4.631221385e+02 6.838013037e+02 7.763569281e+02 1.00 4.219342841e+02 6.246505638e+02 7.099777800e+02 1.02 3.848674676e+02 5.712784094e+02 6.499939013e+02 1.04 3.514552791e+02 5.230600360e+02 5.957189425e+02 1.06 3.212904870e+02 4.794416678e+02 5.465542930e+02 1.08 2.940120330e+02 4.399283421e+02 5.019598180e+02 1.10 2.693057632e+02 4.040881801e+02 4.614664946e+02 1.12 2.468915940e+02 3.715351175e+02 4.246493046e+02 1.14 2.265259584e+02 3.419246532e+02 3.911346661e+02 1.16 2.079910254e+02 3.149541241e+02 3.605885774e+02 1.18 1.910983201e+02 2.903560680e+02 3.327110244e+02 1.20 1.756794200e+02 2.678908309e+02 3.072393525e+02 1.22 1.615839268e+02 2.473432327e+02 2.839363569e+02 1.24 1.486811505e+02 2.285263785e+02 2.625890928e+02 1.26 1.368544078e+02 2.112713757e+02 2.430107076e+02 1.28 1.259994157e+02 1.954282429e+02 2.250330556e+02 1.30 1.160229468e+02 1.808608023e+02 2.085032186e+02 1.32 1.068446617e+02 1.674511490e+02 1.932876134e+02 1.34 9.839125606e+01 1.550928744e+02 1.792654675e+02 1.36 9.059673446e+01 1.436900086e+02 1.663282529e+02 1.38 8.340187288e+01 1.331560781e+02 1.543771040e+02 1.40 7.675583549e+01 1.234147358e+02 1.433248877e+02 1.42 7.061155153e+01 1.143967238e+02 1.330943164e+02 1.44 6.492641658e+01 1.060412252e+02 1.236138097e+02 1.46 5.966165363e+01 9.829198255e+01 1.148200052e+02 1.48 5.478290419e+01 9.109875160e+01 1.066546635e+02 1.50 5.025929386e+01 8.441658850e+01 9.906619233e+01 1.52 4.606267829e+01 7.820429872e+01 9.200922183e+01 1.54 4.216829381e+01 7.242377149e+01 8.544120041e+01 1.56 3.855279309e+01 6.704125286e+01 7.932368766e+01 1.58 3.519472622e+01 6.202660364e+01 7.362102822e+01 1.60 3.207394287e+01 5.735310002e+01 6.830221510e+01 1.62 2.917379493e+01 5.299529363e+01 6.333806932e+01 1.64 2.646942175e+01 4.892977467e+01 5.870316597e+01 1.66 2.395456433e+01 4.513534247e+01 5.437332446e+01 1.68 2.162759882e+01 4.159255914e+01 5.032646653e+01 1.70 1.946060386e+01 3.828369770e+01 4.654236725e+01 1.72 1.744419747e+01 3.519236476e+01 4.300290169e+01 1.74 1.556922922e+01 3.230347408e+01 3.969111365e+01 1.76 1.382751270e+01 2.959614097e+01 3.659124737e+01 1.78 1.221152715e+01 2.707183204e+01 3.368812705e+01 1.80 1.071436975e+01 2.469766953e+01 3.096918871e+01 1.82 9.329175541e+00 2.249577845e+01 2.841304454e+01 1.84 8.049303614e+00 2.043357331e+01 2.603047229e+01 1.86 6.868026860e+00 1.850337966e+01 2.378838132e+01 1.88 5.779660370e+00 1.669791616e+01 2.169943387e+01 1.90 4.778357146e+00 1.501031190e+01 1.973958503e+01 1.92 3.858897052e+00 1.343451772e+01 1.790223703e+01 1.94 3.015979479e+00 1.196437455e+01 1.618098318e+01 1.96 2.244404659e+00 1.059437164e+01 1.456978858e+01 1.98 1.539560046e+00 9.318904184e+00 1.306293956e+01 2.00 8.975154455e-01 8.132853127e+00 1.165501242e+01 2.02 3.144569625e-01 7.031363929e+00 1.033956881e+01 2.04 -2.142065737e-01 6.009703974e+00 9.112526039e+00 2.06 -6.922164730e-01 5.063052260e+00 7.969660061e+00 2.08 -1.123106191e+00 4.186901867e+00 6.906417985e+00 2.10 -1.510209201e+00 3.377639442e+00 5.918430640e+00 2.12 -1.856679569e+00 2.630746572e+00 5.001517082e+00 2.14 -2.164354694e+00 1.942820562e+00 4.151678785e+00 2.16 -2.437080558e+00 1.310368138e+00 3.365095538e+00 2.18 -2.678314743e+00 7.304312325e-01 2.637928506e+00 2.20 -2.889765604e+00 1.999509160e-01 1.966842502e+00 2.22 -3.073323864e+00 -2.847230268e-01 1.348422778e+00 2.24 -3.231557180e+00 -7.264962596e-01 7.795919178e-01 2.26 -3.366490890e+00 -1.128124218e+00 2.578825249e-01 2.28 -3.480507163e+00 -1.492217612e+00 -2.201457467e-01 2.30 -3.574854330e+00 -1.821315497e+00 -6.571833271e-01 2.32 -3.651305922e+00 -2.117146425e+00 -1.055785367e+00 2.34 -3.711491285e+00 -2.382148999e+00 -1.418376506e+00 2.36 -3.756592508e+00 -2.618731607e+00 -1.747255743e+00 2.38 -3.787942499e+00 -2.828868201e+00 -2.044609750e+00 2.40 -3.806498406e+00 -3.014411712e+00 -2.312457525e+00 2.42 -3.813738325e+00 -3.176775063e+00 -2.552755783e+00 2.44 -3.810732011e+00 -3.317995093e+00 -2.767355350e+00 2.46 -3.798479913e+00 -3.439621912e+00 -2.958003769e+00 2.48 -3.777959319e+00 -3.543190082e+00 -3.126196729e+00 2.50 -3.750132684e+00 -3.630236704e+00 -3.273807484e+00 2.52 -3.715627657e+00 -3.701807965e+00 -3.402146892e+00 2.54 -3.675156604e+00 -3.759118239e+00 -3.512603525e+00 2.56 -3.628705577e+00 -3.803303790e+00 -3.606481885e+00 2.58 -3.577602493e+00 -3.835381191e+00 -3.685010281e+00 2.60 -3.522487871e+00 -3.856534753e+00 -3.749344568e+00 2.62 -3.463892442e+00 -3.867743695e+00 -3.800571741e+00 2.64 -3.402302236e+00 -3.869706510e+00 -3.839712456e+00 2.66 -3.338442026e+00 -3.863491088e+00 -3.867922643e+00 2.68 -3.272696137e+00 -3.849840912e+00 -3.885693565e+00 2.70 -3.205152287e+00 -3.829210114e+00 -3.894090382e+00 2.72 -3.136186196e+00 -3.802264033e+00 -3.893897783e+00 2.74 -3.065385728e+00 -3.769622567e+00 -3.885857553e+00 2.76 -2.992708247e+00 -3.731867505e+00 -3.870663927e+00 2.78 -2.919694958e+00 -3.690016810e+00 -3.848966137e+00 2.80 -2.846433803e+00 -3.644441141e+00 -3.821370862e+00 2.82 -2.773123584e+00 -3.595199596e+00 -3.788444108e+00 2.84 -2.700533498e+00 -3.542724113e+00 -3.750713283e+00 2.86 -2.629286675e+00 -3.487415166e+00 -3.708318943e+00 2.88 -2.558691489e+00 -3.429643747e+00 -3.662947899e+00 2.90 -2.488571427e+00 -3.369753130e+00 -3.614142188e+00 2.92 -2.419053219e+00 -3.308060529e+00 -3.562296423e+00 2.94 -2.350250364e+00 -3.244857999e+00 -3.507776932e+00 2.96 -2.282511321e+00 -3.180442687e+00 -3.450923869e+00 2.98 -2.215658960e+00 -3.114599652e+00 -3.392052727e+00 3.00 -2.149771153e+00 -3.046411572e+00 -3.331455810e+00 3.02 -2.084915696e+00 -2.977613983e+00 -3.269403577e+00 3.04 -2.021151329e+00 -2.908784148e+00 -3.206134095e+00 3.06 -1.958527246e+00 -2.840127837e+00 -3.141853402e+00 3.08 -1.897086288e+00 -2.771528589e+00 -3.076851480e+00 3.10 -1.836873559e+00 -2.703129921e+00 -3.010955283e+00 3.12 -1.777891714e+00 -2.635058599e+00 -2.944714109e+00 3.14 -1.720140924e+00 -2.567429030e+00 -2.878264737e+00 3.16 -1.663590554e+00 -2.500344140e+00 -2.811762471e+00 3.18 -1.608218618e+00 -2.433896212e+00 -2.745344473e+00 3.20 -1.554113166e+00 -2.368167672e+00 -2.679135646e+00 3.22 -1.501344752e+00 -2.303231869e+00 -2.613249454e+00 3.24 -1.449909384e+00 -2.239146390e+00 -2.547788702e+00 3.26 -1.399795263e+00 -2.176844829e+00 -2.482846285e+00 3.28 -1.350980359e+00 -2.115770499e+00 -2.418505842e+00 3.30 -1.303462114e+00 -2.055637717e+00 -2.354842370e+00 3.32 -1.257241851e+00 -1.996487337e+00 -2.291922875e+00 3.34 -1.212201000e+00 -1.938353042e+00 -2.229807067e+00 3.36 -1.168208322e+00 -1.881271015e+00 -2.168547668e+00 3.38 -1.125208510e+00 -1.825266534e+00 -2.108190884e+00 3.40 -1.083304227e+00 -1.770333953e+00 -2.048777378e+00 3.42 -1.042603687e+00 -1.716474215e+00 -1.990341590e+00 3.44 -1.003170717e+00 -1.663655636e+00 -1.932912510e+00 3.46 -9.649622922e-01 -1.611863526e+00 -1.876525248e+00 3.48 -9.279353477e-01 -1.561170827e+00 -1.821187915e+00 3.50 -8.920569294e-01 -1.511638206e+00 -1.766902520e+00 3.52 -8.572977431e-01 -1.463267632e+00 -1.713904917e+00 3.54 -8.236194784e-01 -1.416048035e+00 -1.661911838e+00 3.56 -7.910000965e-01 -1.369957949e+00 -1.610924878e+00 3.58 -7.594240951e-01 -1.324995675e+00 -1.561019353e+00 3.60 -7.288764522e-01 -1.281168130e+00 -1.512235667e+00 3.62 -6.993401466e-01 -1.238405480e+00 -1.464569594e+00 3.64 -6.707036469e-01 -1.196590567e+00 -1.418011168e+00 3.66 -6.429322710e-01 -1.155641493e+00 -1.372541234e+00 3.68 -6.160651330e-01 -1.115594310e+00 -1.328158175e+00 3.70 -5.901280799e-01 -1.076548612e+00 -1.284869075e+00 3.72 -5.651358263e-01 -1.038582836e+00 -1.242607441e+00 3.74 -5.410938448e-01 -1.001721177e+00 -1.201260837e+00 3.76 -5.180000096e-01 -9.659170525e-01 -1.161143081e+00 3.78 -4.959275508e-01 -9.311385612e-01 -1.122110557e+00 3.80 -4.748305505e-01 -8.973596964e-01 -1.084005856e+00 3.82 -4.545224013e-01 -8.645570353e-01 -1.046904467e+00 3.84 -4.348594915e-01 -8.327032394e-01 -1.010842459e+00 3.86 -4.157345758e-01 -8.017767493e-01 -9.757802261e-01 3.88 -3.970695444e-01 -7.717648134e-01 -9.416877034e-01 3.90 -3.788094108e-01 -7.426554394e-01 -9.085413795e-01 3.92 -3.609173337e-01 -7.144367886e-01 -8.763209819e-01 3.94 -3.433705127e-01 -6.870543007e-01 -8.450030682e-01 3.96 -3.261568242e-01 -6.604348819e-01 -8.145657022e-01 3.98 -3.092720770e-01 -6.345869258e-01 -7.849968012e-01 4.00 -2.926982599e-01 -6.095386214e-01 -7.562860644e-01 4.02 -2.763877256e-01 -5.853086243e-01 -7.284233523e-01 4.04 -2.604198483e-01 -5.619075316e-01 -7.013874506e-01 4.06 -2.448711439e-01 -5.393391610e-01 -6.750961638e-01 4.08 -2.297986246e-01 -5.176101748e-01 -6.495261333e-01 4.10 -2.152432098e-01 -4.967761584e-01 -6.247038717e-01 4.12 -2.012326031e-01 -4.767811704e-01 -6.006513652e-01 4.14 -1.877837198e-01 -4.574951351e-01 -5.773826458e-01 4.16 -1.749047259e-01 -4.387949347e-01 -5.549049934e-01 4.18 -1.625967493e-01 -4.205864554e-01 -5.332199850e-01 4.20 -1.508553128e-01 -4.027992377e-01 -5.123509268e-01 4.22 -1.396715281e-01 -3.853819618e-01 -4.923314056e-01 4.24 -1.290330907e-01 -3.682986521e-01 -4.730813520e-01 4.26 -1.189251033e-01 -3.515253728e-01 -4.544726220e-01 4.28 -1.093307562e-01 -3.350258140e-01 -4.363999416e-01 4.30 -1.002318863e-01 -3.192300727e-01 -4.187827164e-01 4.32 -9.159872537e-02 -3.038919746e-01 -4.015605450e-01 4.34 -8.426472568e-02 -2.887902378e-01 -3.846894166e-01 4.36 -7.777328916e-02 -2.739542273e-01 -3.681385000e-01 4.38 -7.161794439e-02 -2.594196864e-01 -3.518874430e-01 4.40 -6.578313557e-02 -2.452435082e-01 -3.359241094e-01 4.42 -6.020306597e-02 -2.314700359e-01 -3.202426940e-01 4.44 -5.582756950e-02 -2.181319525e-01 -3.048375574e-01 4.46 -5.213275243e-02 -2.052522137e-01 -2.896703395e-01 4.48 -4.861396815e-02 -1.928456991e-01 -2.747670227e-01 4.50 -4.527712004e-02 -1.809206210e-01 -2.601650300e-01 4.52 -4.211342517e-02 -1.694797239e-01 -2.459205109e-01 4.54 -3.911433631e-02 -1.585213023e-01 -2.320772141e-01 4.56 -3.627166228e-02 -1.480400646e-01 -2.186675110e-01 4.58 -3.357756508e-02 -1.380300891e-01 -2.057142574e-01 4.60 -3.102455446e-02 -1.289457137e-01 -1.932323872e-01 4.62 -2.860548053e-02 -1.207348680e-01 -1.812302749e-01 4.64 -2.631352490e-02 -1.129044333e-01 -1.697108999e-01 4.66 -2.414219074e-02 -1.054417673e-01 -1.586728373e-01 4.68 -2.208529205e-02 -9.833382913e-02 -1.481110998e-01 4.70 -2.013694240e-02 -9.156735194e-02 -1.380178518e-01 4.72 -1.829154341e-02 -8.512898579e-02 -1.283830124e-01 4.74 -1.653754316e-02 -7.900541505e-02 -1.191947644e-01 4.76 -1.545106653e-02 -7.318345285e-02 -1.104399800e-01 4.78 -1.442473092e-02 -6.765011755e-02 -1.021045782e-01 4.80 -1.344853158e-02 -6.239269330e-02 -9.417382197e-02 4.82 -1.252012831e-02 -5.739877711e-02 -8.663256420e-02 4.84 -1.163728316e-02 -5.265631470e-02 -7.946545041e-02 4.86 -1.079785645e-02 -4.815362684e-02 -7.265708427e-02 4.88 -9.999802962e-03 -4.387942818e-02 -6.619216236e-02 4.90 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-5.151837257e-03 5.26 -5.536106922e-04 -2.225951124e-03 -3.340406347e-03 5.28 -2.696929290e-04 -1.083656624e-03 -1.625839302e-03 5.30 -5.250829962e-16 -1.696582835e-15 -1.978341896e-15 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 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