# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Borovikov-V-Mendelev-M-I-King-A-H-LeSar-R--fictional-Cu-6 # implementation = 2015--Borovikov-V--fictional-Cu-6--LAMMPS--ipr1 # composition = Cu # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 9.003692806e+04 nan 0.78 nan nan nan nan nan nan nan nan 7.772349218e+04 nan 0.80 nan nan nan nan nan nan nan nan 6.661753358e+04 nan 0.82 nan nan nan nan nan 3.954085120e+04 nan nan 5.657525026e+04 nan 0.84 nan nan nan nan nan 3.164384491e+04 nan nan 4.747236341e+04 nan 0.86 nan nan nan nan nan 2.446998819e+04 nan nan 3.920178448e+04 nan 0.88 nan nan nan nan nan 1.823838130e+04 nan nan 3.167073267e+04 nan 0.90 nan nan nan nan nan 1.362533571e+04 nan nan 2.479864981e+04 nan 0.92 nan nan nan 1.006533276e+05 1.006539932e+05 1.023854452e+04 nan nan 1.873302519e+04 4.952477904e+04 0.94 nan 4.175299287e+04 nan 8.972035381e+04 8.972084988e+04 7.737820767e+03 4.341761977e+04 nan 1.415483763e+04 4.181197562e+04 0.96 nan 3.467376539e+04 nan 7.968441023e+04 7.968462987e+04 5.881125288e+03 3.623782938e+04 nan 1.074963582e+04 3.473282705e+04 0.98 nan 2.816398413e+04 nan 7.045564047e+04 7.045560715e+04 4.495193313e+03 2.963620107e+04 nan 8.203711156e+03 2.822361365e+04 1.00 nan 2.216777317e+04 nan 6.195485906e+04 6.195470112e+04 3.455256762e+03 2.355575422e+04 nan 6.290774269e+03 2.222822635e+04 1.02 nan 1.712340099e+04 nan 5.411130860e+04 5.411114417e+04 2.670777338e+03 1.823201536e+04 nan 4.846429454e+03 1.717769125e+04 1.04 nan 1.328135554e+04 3.702200446e+04 4.686214177e+04 4.686202140e+04 2.075906837e+03 1.414841678e+04 3.995296750e+04 3.750697535e+03 1.333035316e+04 1.06 4.015179710e+04 1.034213941e+04 3.086214329e+04 4.015220367e+04 4.015215426e+04 1.622704169e+03 1.102343414e+04 3.362919539e+04 2.915719332e+03 1.038676805e+04 1.08 3.393196753e+04 8.084055600e+03 2.515317007e+04 3.393249788e+04 3.393252964e+04 1.275848395e+03 8.621853039e+03 2.776791353e+04 2.276652047e+03 8.125072723e+03 1.10 2.815898579e+04 6.342277268e+03 1.993860030e+04 2.815933764e+04 2.815942043e+04 1.009043141e+03 6.768682305e+03 2.232781507e+04 1.785414137e+03 6.380164344e+03 1.12 2.279360549e+04 4.993441420e+03 1.575860908e+04 2.279364021e+04 2.279375251e+04 8.027651081e+02 5.333070153e+03 1.765394381e+04 1.406205236e+03 5.028628891e+03 1.14 1.810458024e+04 3.944940720e+03 1.249732537e+04 1.810443184e+04 1.810456225e+04 6.424621650e+02 4.216716804e+03 1.400540661e+04 1.112274053e+03 3.977765960e+03 1.16 1.442198182e+04 3.126872318e+03 9.943437558e+03 1.442186291e+04 1.442201772e+04 5.172340119e+02 3.345435400e+03 1.114741488e+04 8.834929964e+02 3.157623798e+03 1.18 1.152497236e+04 2.486322278e+03 7.936411509e+03 1.152495881e+04 1.152511722e+04 4.188815683e+02 2.662990651e+03 8.900829436e+03 7.046842304e+02 2.515287113e+03 1.20 9.238204723e+03 1.983022013e+03 6.353746921e+03 9.238295103e+03 9.238434655e+03 3.412134765e+02 2.126588668e+03 7.128781289e+03 5.643653743e+02 2.010443585e+03 1.22 7.427120762e+03 1.586227477e+03 5.101608117e+03 7.427270175e+03 7.427378073e+03 2.795373897e+02 1.703550423e+03 5.726392423e+03 4.538155042e+02 1.612283442e+03 1.24 5.988145905e+03 1.272385204e+03 4.107862270e+03 5.988300063e+03 5.988376062e+03 2.303304652e+02 1.368852723e+03 4.612975911e+03 3.663967203e+02 1.297181585e+03 1.26 4.841260968e+03 1.023378981e+03 3.316825473e+03 4.841391597e+03 4.841447336e+03 1.909137661e+02 1.103214520e+03 3.726235387e+03 2.970361235e+02 1.046957236e+03 1.28 3.924441759e+03 8.252099794e+02 2.685244303e+03 3.924532272e+03 3.924574200e+03 1.591222291e+02 8.917098693e+02 3.017909202e+03 2.417699727e+02 8.475890870e+02 1.30 3.189407628e+03 6.670262204e+02 2.179498929e+03 3.189459665e+03 3.189491626e+03 1.333021098e+02 7.227730454e+02 2.450464461e+03 1.975440043e+02 6.882327662e+02 1.32 2.598453866e+03 5.403962478e+02 1.773364046e+03 2.598480137e+03 2.598506234e+03 1.121876858e+02 5.874193596e+02 1.994605104e+03 1.619995005e+02 5.604671210e+02 1.34 2.122044907e+03 4.387475870e+02 1.446321781e+03 2.122058734e+03 2.122082034e+03 9.480697070e+01 4.786453471e+02 1.627391035e+03 1.333084388e+02 4.577227237e+02 1.36 1.736965924e+03 3.569350229e+02 1.182266516e+03 1.736975258e+03 1.736996735e+03 8.040835657e+01 3.909774717e+02 1.330813503e+03 1.100834727e+02 3.748540032e+02 1.38 1.424909628e+03 2.909162544e+02 9.685184706e+02 1.424917112e+03 1.424936580e+03 6.840773603e+01 3.201419418e+02 1.090665062e+03 9.121400079e+01 3.078153770e+02 1.40 1.171396553e+03 2.375062604e+02 7.950625812e+02 1.171402033e+03 1.171419893e+03 5.834935987e+01 2.627955318e+02 8.957161707e+02 7.580411197e+01 2.534175990e+02 1.42 9.649437308e+02 1.941904688e+02 6.539648067e+02 9.649488003e+02 9.649667993e+02 4.987536144e+01 2.162312976e+02 7.370705454e+02 6.315490932e+01 2.091483995e+02 1.44 7.964505027e+02 1.589800539e+02 5.389156754e+02 7.964596964e+02 7.964797866e+02 4.270064741e+01 1.783049187e+02 6.076839832e+02 5.271907567e+01 1.730856709e+02 1.46 6.586191745e+02 1.302961734e+02 4.448824844e+02 6.586362047e+02 6.586587345e+02 3.659518806e+01 1.473178558e+02 5.019180960e+02 4.406588355e+01 1.436224886e+02 1.48 5.456071426e+02 1.068784411e+02 3.678478717e+02 5.456320588e+02 5.456555248e+02 3.137570432e+01 1.219236501e+02 4.152616321e+02 3.685619213e+01 1.194606545e+02 1.50 4.527361397e+02 8.771713482e+01 3.045989628e+02 4.527665360e+02 4.527885924e+02 2.689695077e+01 1.010529499e+02 3.441039889e+02 3.082274784e+01 9.957215978e+01 1.52 3.762518620e+02 7.200471271e+01 2.525564755e+02 3.762837365e+02 3.763017012e+02 2.304051295e+01 8.385380615e+01 2.855479094e+02 2.575396030e+01 8.314060410e+01 1.54 3.131342118e+02 5.909483715e+01 2.096453106e+02 3.131621682e+02 3.131738642e+02 1.970913422e+01 6.964425751e+01 2.372619170e+02 2.148037879e+01 6.951609751e+01 1.56 2.609449228e+02 4.846822210e+01 1.741933946e+02 2.609636965e+02 2.609681384e+02 1.682308370e+01 5.787580552e+01 1.973640605e+02 1.786518920e+01 5.817807477e+01 1.58 2.177081952e+02 3.970726926e+01 1.448517556e+02 2.177142942e+02 2.177117711e+02 1.431724345e+01 4.810582364e+01 1.643317780e+02 1.479790217e+01 4.870773537e+01 1.60 1.818179620e+02 3.247394662e+01 1.205298138e+02 1.818103962e+02 1.818019114e+02 1.213857358e+01 3.997500856e+01 1.369303376e+02 1.218925654e+01 4.076863621e+01 1.62 1.519680848e+02 2.649293717e+01 1.003425644e+02 1.519477286e+02 1.519343794e+02 1.024364060e+01 3.320552771e+01 1.141586103e+02 9.966680510e+00 3.409152079e+01 1.64 1.270970686e+02 2.154281244e+01 8.356684190e+01 1.270661497e+02 1.270487268e+02 8.595423797e+00 2.756248212e+01 9.520289108e+01 8.076208119e+00 2.846000830e+01 1.66 1.063395651e+02 1.746739162e+01 6.960800533e+01 1.063015112e+02 1.062806125e+02 7.161031164e+00 2.283859222e+01 7.939819384e+01 6.477794724e+00 2.369797047e+01 1.68 8.898754209e+01 1.410605130e+01 5.797581437e+01 8.894641823e+01 8.892270334e+01 5.910933152e+00 1.886687025e+01 6.620010300e+01 5.120542956e+00 1.966140052e+01 1.70 7.446025406e+01 1.132070982e+01 4.826596209e+01 7.442008208e+01 7.439438419e+01 4.818952129e+00 1.551300836e+01 5.516207262e+01 3.962344741e+00 1.623250476e+01 1.72 6.227994257e+01 9.001738144e+00 4.014632629e+01 6.224411708e+01 6.221750042e+01 3.863133872e+00 1.266930344e+01 4.591723875e+01 2.969271332e+00 1.331476501e+01 1.74 5.205282360e+01 7.062124265e+00 3.334847724e+01 5.202401947e+01 5.199796495e+01 3.025756363e+00 1.024973252e+01 3.816393553e+01 2.114827833e+00 1.082845265e+01 1.76 4.345382023e+01 5.433049189e+00 2.767347534e+01 4.343406567e+01 4.341053097e+01 2.291730361e+00 8.185545518e+00 3.165398831e+01 1.378471608e+00 8.707292599e+00 1.78 3.621440394e+01 4.060526743e+00 2.292711903e+01 3.620518185e+01 3.618639082e+01 1.647794347e+00 6.421491222e+00 2.618292285e+01 7.438116544e-01 6.896232324e+00 1.80 3.011295266e+01 2.907944618e+00 1.894392526e+01 3.011498387e+01 3.010299014e+01 1.082446625e+00 4.912625231e+00 2.158148131e+01 1.974723784e-01 5.349627163e+00 1.82 2.496690284e+01 1.961630116e+00 1.558955474e+01 2.497947416e+01 2.497566557e+01 5.858966217e-01 3.621877402e+00 1.770889596e+01 -2.719853402e-01 4.029622141e+00 1.84 2.062553584e+01 1.180184464e+00 1.275527953e+01 2.064616131e+01 2.065093710e+01 1.499877515e-01 2.518300534e+00 1.444706588e+01 -6.749449851e-01 2.904553453e+00 1.86 1.696186176e+01 5.275120949e-01 1.035336775e+01 1.698724531e+01 1.700018369e+01 -2.320292751e-01 1.575734938e+00 1.169634734e+01 -1.020941468e+00 1.947505846e+00 1.88 1.386785204e+01 -2.440554399e-02 8.313090715e+00 1.389509529e+01 1.391531306e+01 -5.658324393e-01 7.718553873e-01 9.373129329e+00 -1.318199016e+00 1.135298277e+00 1.90 1.125194674e+01 -4.970197414e-01 6.576616758e+00 1.127907049e+01 1.130535577e+01 -8.562709493e-01 9.041233122e-02 7.407789391e+00 -1.573408519e+00 4.477137854e-01 1.92 9.036842694e+00 -9.064683326e-01 5.096048619e+00 9.062843008e+00 9.093676179e+00 -1.107503669e+00 -4.796785591e-01 5.742472217e+00 -1.792231718e+00 -1.331376034e-01 1.94 7.157450544e+00 -1.264630435e+00 3.831463391e+00 7.182218525e+00 7.215894119e+00 -1.323334495e+00 -9.561466561e-01 4.329184678e+00 -1.979625193e+00 -6.232960668e-01 1.96 5.559323858e+00 -1.580057314e+00 2.748852187e+00 5.583233401e+00 5.617988389e+00 -1.507716831e+00 -1.354042846e+00 3.148132905e+00 -2.139784094e+00 -1.036937373e+00 1.98 4.197510419e+00 -1.858863767e+00 1.819400691e+00 4.220917581e+00 4.255005205e+00 -1.664639492e+00 -1.686113067e+00 2.174311367e+00 -2.276081226e+00 -1.385916813e+00 2.00 3.035406090e+00 -2.105506835e+00 1.019069833e+00 3.058323266e+00 3.090104431e+00 -1.797900205e+00 -1.963112437e+00 1.364842321e+00 -2.391194687e+00 -1.679726453e+00 2.02 2.072410578e+00 -2.319685729e+00 3.475632756e-01 2.094427441e+00 2.122509123e+00 -1.901192449e+00 -2.184232288e+00 6.962986179e-01 -2.480034303e+00 -1.911710198e+00 2.04 1.294601254e+00 -2.502680110e+00 -2.040932609e-01 1.315033010e+00 1.338433979e+00 -1.973793673e+00 -2.353158772e+00 1.465547343e-01 -2.541854617e+00 -2.083716856e+00 2.06 6.593102586e-01 -2.659364574e+00 -6.636955052e-01 6.773111001e-01 6.954436941e-01 -2.024978282e+00 -2.483068937e+00 -3.116523542e-01 -2.583874677e+00 -2.213223539e+00 2.08 1.335513886e-01 -2.793495690e+00 -1.052165549e+00 1.481968930e-01 1.607530094e-01 -2.060658123e+00 -2.583774333e+00 -6.991591551e-01 -2.611466929e+00 -2.313566047e+00 2.10 -3.078868564e-01 -2.908052687e+00 -1.384831576e+00 -2.974752979e-01 -2.905980230e-01 -2.084982061e+00 -2.662382823e+00 -1.031841149e+00 -2.628641729e+00 -2.394477725e+00 2.12 -6.840245203e-01 -3.005363630e+00 -1.672726711e+00 -6.785998686e-01 -6.773523287e-01 -2.101501274e+00 -2.723990847e+00 -1.321610592e+00 -2.638228736e+00 -2.462606163e+00 2.14 -1.008983760e+00 -3.087467533e+00 -1.923721048e+00 -1.009130019e+00 -1.013363326e+00 -2.113292013e+00 -2.772445904e+00 -1.577190532e+00 -2.641708528e+00 -2.522023525e+00 2.16 -1.293038402e+00 -3.156238982e+00 -2.143439628e+00 -1.299139863e+00 -1.308658228e+00 -2.122838586e+00 -2.810726382e+00 -1.804781274e+00 -2.639233705e+00 -2.574749195e+00 2.18 -1.543759138e+00 -3.213356103e+00 -2.335988408e+00 -1.555920714e+00 -1.570465260e+00 -2.131618835e+00 -2.841110796e+00 -2.008878298e+00 -2.631029461e+00 -2.621550996e+00 2.20 -1.767195176e+00 -3.260348087e+00 -2.504463701e+00 -1.785075366e+00 -1.804189362e+00 -2.140216545e+00 -2.865281179e+00 -2.192892823e+00 -2.618052820e+00 -2.662913817e+00 2.22 -1.968174971e+00 -3.298542444e+00 -2.651327753e+00 -1.990922444e+00 -2.013878210e+00 -2.148628687e+00 -2.884510919e+00 -2.359389118e+00 -2.601853126e+00 -2.699229030e+00 2.24 -2.150381342e+00 -3.329042092e+00 -2.778669968e+00 -2.176708812e+00 -2.202519230e+00 -2.156520482e+00 -2.899818807e+00 -2.510239174e+00 -2.584108647e+00 -2.730809954e+00 2.26 -2.316442446e+00 -3.352715579e+00 -2.888369650e+00 -2.344807108e+00 -2.372293265e+00 -2.163501265e+00 -2.911961347e+00 -2.646776367e+00 -2.565911633e+00 -2.757917834e+00 2.28 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