# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Purja-Pun-G-P-Yamakov-V-Mishin-Y--Al-Co # implementation = 2015--Purja-Pun-G-P--Al-Co--LAMMPS--ipr2 # composition = Co # 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 nan nan 0.78 nan nan nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan 9.275280421e+04 nan 0.82 nan nan nan nan nan nan nan nan 8.285802748e+04 nan 0.84 nan nan nan nan nan nan nan nan 7.392486845e+04 nan 0.86 nan nan nan nan nan 5.215084615e+04 nan nan 6.584444032e+04 nan 0.88 nan nan nan nan nan 4.592304756e+04 nan nan 5.851062091e+04 nan 0.90 nan nan nan nan nan 4.023179481e+04 nan nan 5.182543561e+04 nan 0.92 nan nan nan nan nan 3.500265655e+04 nan nan 4.571050599e+04 nan 0.94 nan nan nan nan nan 3.019078885e+04 nan nan 4.010989593e+04 nan 0.96 nan nan nan nan nan 2.576896609e+04 nan nan 3.498355252e+04 nan 0.98 nan nan nan 9.651850437e+04 9.651980562e+04 2.171619565e+04 nan nan 3.030026565e+04 5.499303539e+04 1.00 nan 4.887691495e+04 nan 8.811853865e+04 8.811440943e+04 1.800935910e+04 5.029007740e+04 nan 2.602622932e+04 4.915216611e+04 1.02 nan 4.343284765e+04 nan 8.036714956e+04 8.036040728e+04 1.461817408e+04 4.483919899e+04 nan 2.211954724e+04 4.376078652e+04 1.04 nan 3.841849053e+04 nan 7.320562322e+04 7.320127931e+04 1.150791974e+04 3.980947824e+04 nan 1.853372025e+04 3.878322548e+04 1.06 nan 3.379555465e+04 nan 6.658066254e+04 6.658256726e+04 8.645186549e+03 3.515317500e+04 nan 1.522490482e+04 3.419180477e+04 1.08 nan 2.952836307e+04 nan 6.044528357e+04 6.045386974e+04 5.998989818e+03 3.083604098e+04 nan 1.215543268e+04 2.996179558e+04 1.10 nan 2.558592762e+04 nan 5.475706245e+04 5.476915909e+04 3.564842744e+03 2.683386653e+04 4.899028248e+04 9.295760408e+03 2.606746494e+04 1.12 4.944889965e+04 2.194039230e+04 4.166413897e+04 4.947656790e+04 4.948675814e+04 2.110155315e+03 2.312928531e+04 4.403433560e+04 6.625169525e+03 2.247964980e+04 1.14 4.455462905e+04 1.856599413e+04 3.718611050e+04 4.456858600e+04 4.457165070e+04 1.543022067e+03 1.970668019e+04 3.944008907e+04 4.130811022e+03 1.916568961e+04 1.16 4.001229254e+04 1.543964511e+04 3.304118302e+04 4.000323066e+04 3.999647476e+04 1.360960209e+03 1.654828457e+04 3.517042438e+04 2.032542505e+03 1.609048576e+04 1.18 3.578525054e+04 1.254074880e+04 2.919342262e+04 3.575447328e+04 3.573920493e+04 1.244608459e+03 1.363326221e+04 3.119089852e+04 1.061104215e+03 1.321971880e+04 1.20 3.184012412e+04 9.850595311e+03 2.560729609e+04 3.179883677e+04 3.178035833e+04 1.129508685e+03 1.093613349e+04 2.747298212e+04 7.529597630e+02 1.052571650e+04 1.22 2.814806269e+04 7.352177871e+03 2.225311086e+04 2.811283757e+04 2.809808024e+04 1.017771779e+03 8.428901875e+03 2.399548842e+04 6.740585418e+02 7.991245664e+03 1.24 2.468815882e+04 5.030448480e+03 1.910985754e+04 2.467373223e+04 2.466840976e+04 9.108609385e+02 6.085533407e+03 2.074434675e+04 6.105583583e+02 5.607145439e+03 1.26 2.144803705e+04 2.871424077e+03 1.616634798e+04 2.146139837e+04 2.146830288e+04 8.097737521e+02 3.884616399e+03 1.771028628e+04 5.472964508e+02 3.368314923e+03 1.28 1.842088510e+04 1.173663201e+03 1.341603804e+04 1.845916836e+04 1.847747024e+04 7.152152282e+02 1.907074897e+03 1.488580882e+04 4.860706852e+02 1.599141094e+03 1.30 1.560019581e+04 3.956022834e+02 1.085338442e+04 1.565288830e+04 1.567835357e+04 6.276874060e+02 8.229063852e+02 1.226208746e+04 4.281867692e+02 7.854168159e+02 1.32 1.297784135e+04 1.439183813e+02 8.472615910e+03 1.302985721e+04 1.305607861e+04 5.475026308e+02 4.063707302e+02 9.827407039e+03 3.745138381e+02 5.065241436e+02 1.34 1.054231456e+04 1.069654762e+02 6.265327266e+03 1.057840591e+04 1.059854060e+04 4.747951805e+02 3.059343898e+02 7.566331605e+03 3.255557492e+02 4.333250120e+02 1.36 8.278118217e+03 9.714753227e+01 4.219219325e+03 8.287851397e+03 8.296418344e+03 4.095388559e+02 2.734911606e+02 5.460915745e+03 2.815246352e+02 3.828833147e+02 1.38 6.168001815e+03 8.697298802e+01 2.318844494e+03 6.148072959e+03 6.142109658e+03 3.515700909e+02 2.414902631e+02 3.492959531e+03 2.424089251e+02 3.344319185e+02 1.40 4.194161255e+03 7.697442187e+01 9.705435785e+02 4.148515204e+03 4.128164918e+03 3.005972801e+02 2.107605975e+02 1.705742901e+03 2.080371301e+02 2.894471484e+02 1.42 2.339728602e+03 6.752334702e+01 3.299886662e+02 2.278210550e+03 2.247022552e+03 2.562172867e+02 1.822064506e+02 6.457524475e+02 1.781243524e+02 2.488192723e+02 1.44 9.789527462e+02 5.885129642e+01 9.925254957e+01 9.451806098e+02 9.263367105e+02 2.179339295e+02 1.563998042e+02 1.837311558e+02 1.523094494e+02 2.129495832e+02 1.46 3.191426704e+02 5.109088237e+01 5.778070487e+01 3.082672012e+02 3.014325948e+02 1.851812491e+02 1.336261401e+02 5.139339090e+01 1.301843774e+02 1.818689432e+02 1.48 7.912674070e+01 4.428391023e+01 5.268197618e+01 7.866345285e+01 7.831369592e+01 1.573459233e+02 1.139363957e+02 4.081975661e+01 1.113146880e+02 1.553392743e+02 1.50 3.824960850e+01 3.839594813e+01 4.835253765e+01 3.857613834e+01 3.928960315e+01 1.337878919e+02 9.717989575e+01 3.918681943e+01 9.525111115e+01 1.329276974e+02 1.52 3.732765127e+01 3.333666346e+01 4.459835905e+01 3.631821057e+01 3.624893778e+01 1.138584270e+02 8.304958088e+01 3.716705089e+01 8.154320564e+01 1.140615091e+02 1.54 3.598954569e+01 2.899427806e+01 4.116173550e+01 3.411376412e+01 3.341178931e+01 9.695824479e+01 7.117219561e+01 3.473289070e+01 6.978609334e+01 9.814872724e+01 1.56 3.409557070e+01 2.525825519e+01 3.786687340e+01 3.184792604e+01 3.073449121e+01 8.259426718e+01 6.119325925e+01 3.195161645e+01 5.966137572e+01 8.468207379e+01 1.58 3.171529701e+01 2.202303146e+01 3.461136267e+01 2.951442381e+01 2.821791443e+01 7.036374188e+01 5.279079960e+01 2.894779292e+01 5.092126674e+01 7.324161592e+01 1.60 2.898340568e+01 1.919552469e+01 3.135314756e+01 2.713270142e+01 2.585526498e+01 5.993423939e+01 4.568355367e+01 2.586767916e+01 4.336917214e+01 6.347838585e+01 1.62 2.606961141e+01 1.670031397e+01 2.811209284e+01 2.474253770e+01 2.363856450e+01 5.102908969e+01 3.963148888e+01 2.285115728e+01 3.684438097e+01 5.510451796e+01 1.64 2.314442953e+01 1.447677892e+01 2.494412257e+01 2.239285189e+01 2.155972039e+01 4.341651639e+01 3.443507583e+01 2.001385129e+01 3.121098788e+01 4.788217662e+01 1.66 2.034882111e+01 1.247549057e+01 2.191570629e+01 2.013153656e+01 1.961119993e+01 3.690126303e+01 2.993213256e+01 1.743387068e+01 2.635150304e+01 4.161200177e+01 1.68 1.778031356e+01 1.065903383e+01 1.908871580e+01 1.799676113e+01 1.778581100e+01 3.131832484e+01 2.599344733e+01 1.515056595e+01 2.216326405e+01 3.612989350e+01 1.70 1.548880703e+01 9.002942157e+00 1.650854983e+01 1.601343155e+01 1.607682637e+01 2.652800618e+01 2.251898084e+01 1.316941340e+01 1.855621182e+01 3.130466549e+01 1.72 1.349184643e+01 7.492956270e+00 1.420013232e+01 1.419565299e+01 1.447768436e+01 2.241181634e+01 1.943277077e+01 1.147311806e+01 1.545130515e+01 2.703488983e+01 1.74 1.178364223e+01 6.119739577e+00 1.217017132e+01 1.254826867e+01 1.298227971e+01 1.886919541e+01 1.667780702e+01 1.002993122e+01 1.277936187e+01 2.324326444e+01 1.76 1.033885973e+01 4.875741152e+00 1.041066515e+01 1.106770355e+01 1.158484579e+01 1.581481574e+01 1.421126953e+01 8.799482946e+00 1.048013988e+01 1.987118669e+01 1.78 9.119373415e+00 3.753721187e+00 8.900443595e+00 9.743438013e+00 1.027986597e+01 1.317637104e+01 1.200112594e+01 7.738387475e+00 8.501385883e+00 1.687401415e+01 1.80 8.079386201e+00 2.746217122e+00 7.606254301e+00 8.559787803e+00 9.062110248e+00 1.089293832e+01 1.002276231e+01 6.804871057e+00 6.797839246e+00 1.421575892e+01 1.82 7.170747494e+00 1.845910362e+00 6.488686152e+00 7.497682595e+00 7.926646279e+00 8.913473067e+00 8.255893942e+00 5.960964135e+00 5.330309644e+00 1.186494784e+01 1.84 6.350962352e+00 1.045409750e+00 5.508429061e+00 6.536969463e+00 6.868753960e+00 7.195616590e+00 6.682530944e+00 5.176691742e+00 4.064923555e+00 9.792530930e+00 1.86 5.588198137e+00 3.368727382e-01 4.630196504e+00 5.658407573e+00 5.884020254e+00 5.704464733e+00 5.285847898e+00 4.431954471e+00 2.972454482e+00 7.971246790e+00 1.88 4.860935175e+00 -2.880428074e-01 3.825882266e+00 4.844962789e+00 4.968243915e+00 4.411261664e+00 4.049767944e+00 3.715100235e+00 2.027759262e+00 6.375366011e+00 1.90 4.156201486e+00 -8.379597628e-01 3.075209678e+00 4.082942185e+00 4.117420118e+00 3.291978637e+00 2.958949438e+00 3.021407870e+00 1.209314535e+00 4.980736697e+00 1.92 3.468966890e+00 -1.321437421e+00 2.366529406e+00 3.362882073e+00 3.327767520e+00 2.326173217e+00 1.998958169e+00 2.350693863e+00 4.988950658e-01 3.764959084e+00 1.94 2.799646457e+00 -1.746534738e+00 1.695739012e+00 2.679296101e+00 2.595717157e+00 1.495923237e+00 1.156480662e+00 1.705457507e+00 -1.187084596e-01 2.707477287e+00 1.96 2.151300085e+00 -2.120512596e+00 1.063678559e+00 2.029737619e+00 1.917886324e+00 7.850540864e-01 4.192913189e-01 1.089565647e+00 -6.560042314e-01 1.789505047e+00 1.98 1.528028291e+00 -2.449690825e+00 4.729996064e-01 1.413887891e+00 1.291062979e+00 1.787008864e-01 -2.238644959e-01 5.070690410e-01 -1.123088440e+00 9.940169438e-01 2.00 9.341211540e-01 -2.739408586e+00 -7.390673135e-02 8.326389297e-01 7.122145356e-01 -3.367690447e-01 -7.833456458e-01 -3.854205625e-02 -1.528009749e+00 3.055765122e-01 2.02 3.734499645e-01 -2.994088054e+00 -5.759413453e-01 2.872743949e-01 1.784704992e-01 -7.736639534e-01 -1.268682991e+00 -5.448855733e-01 -1.877179856e+00 -2.897263627e-01 2.04 -1.511098651e-01 -3.217359692e+00 -1.033458873e+00 -2.211507335e-01 -3.128947498e-01 -1.142904212e+00 -1.688606400e+00 -1.010851404e+00 -2.175794017e+00 -8.044544357e-01 2.06 -6.378623770e-01 -3.412196333e+00 -1.448117777e+00 -6.921152067e-01 -7.644343952e-01 -1.453994690e+00 -2.051086058e+00 -1.436447879e+00 -2.428249414e+00 -1.249919012e+00 2.08 -1.086215081e+00 -3.581043813e+00 -1.822584142e+00 -1.125741954e+00 -1.178603008e+00 -1.715114783e+00 -2.363362677e+00 -1.822542293e+00 -2.638541432e+00 -1.636175919e+00 2.10 -1.496376084e+00 -3.725980838e+00 -2.160060791e+00 -1.522713886e+00 -1.557691628e+00 -1.933258536e+00 -2.631971846e+00 -2.170624684e+00 -2.810608571e+00 -1.972129350e+00 2.12 -1.869159346e+00 -3.848809847e+00 -2.463866774e+00 -1.884193260e+00 -1.903863637e+00 -2.114395355e+00 -2.862681537e+00 -2.482541677e+00 -2.948476522e+00 -2.265475397e+00 2.14 -2.205906541e+00 -3.951185530e+00 -2.737149851e+00 -2.211731742e+00 -2.219177723e+00 -2.263624727e+00 -3.060562533e+00 -2.760406267e+00 -3.056206097e+00 -2.522674132e+00 2.16 -2.508363866e+00 -4.034727972e+00 -2.982732450e+00 -2.507145529e+00 -2.505586821e+00 -2.385333947e+00 -3.229996956e+00 -3.006518805e+00 -3.137737807e+00 -2.748928970e+00 2.18 -2.778459413e+00 -4.101044235e+00 -3.202897989e+00 -2.772366564e+00 -2.764918416e+00 -2.483271311e+00 -3.374693838e+00 -3.223260645e+00 -3.196734288e+00 -2.948069931e+00 2.20 -3.018270139e+00 -4.151727235e+00 -3.399428003e+00 -3.009398929e+00 -2.998902643e+00 -2.560676131e+00 -3.497700880e+00 -3.413087281e+00 -3.236476780e+00 -3.122700654e+00 2.22 -3.229957852e+00 -4.188316031e+00 -3.573690280e+00 -3.220263539e+00 -3.209175576e+00 -2.620353225e+00 -3.601503842e+00 -3.578451703e+00 -3.259861208e+00 -3.274443179e+00 2.24 -3.415748612e+00 -4.212212997e+00 -3.726761722e+00 -3.406977803e+00 -3.397291950e+00 -2.664723406e+00 -3.688041857e+00 -3.721785015e+00 -3.269411590e+00 -3.404225138e+00 2.26 -3.577930447e+00 -4.224645623e+00 -3.859574516e+00 -3.571514222e+00 -3.564709362e+00 -2.695875896e+00 -3.758818582e+00 -3.845455230e+00 -3.267302257e+00 -3.512552027e+00 2.28 -3.718825717e+00 -4.226665148e+00 -3.973056011e+00 -3.715781415e+00 -3.712795870e+00 -2.715638250e+00 -3.814942089e+00 -3.951708877e+00 -3.255417843e+00 -3.599851914e+00 2.30 -3.840735627e+00 -4.219167658e+00 -4.068215331e+00 -3.841618069e+00 -3.842854826e+00 -2.725604619e+00 -3.857208894e+00 -4.042604766e+00 -3.235381896e+00 -3.666789005e+00 2.32 -3.945854621e+00 -4.202911661e+00 -4.146124278e+00 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