# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Miraz-A-S-M-Dhariwal-N-Meng-W-J-et-al--Cu-N-Ti # implementation = 2020--Miraz-A-S-M--Cu-N-Ti--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 nan nan 0.78 nan nan nan nan nan 7.262107292e+02 nan nan nan nan 0.80 nan nan nan nan nan 6.627693808e+02 nan nan nan nan 0.82 nan nan nan nan nan 6.057443015e+02 nan nan 7.215539411e+02 nan 0.84 nan nan nan nan nan 5.543717025e+02 nan nan 6.492654289e+02 nan 0.86 nan nan nan nan nan 5.079942751e+02 nan nan 5.839300113e+02 nan 0.88 nan nan nan nan nan 4.660445044e+02 nan nan 5.251733090e+02 nan 0.90 nan 8.397516145e+02 nan nan nan 4.280307307e+02 nan nan 4.725278044e+02 7.330733123e+02 0.92 nan 7.496144074e+02 nan nan nan 3.935255309e+02 7.237256797e+02 nan 4.254828579e+02 6.680382633e+02 0.94 nan 6.667098483e+02 nan nan nan 3.621560237e+02 6.544552075e+02 nan 3.835183437e+02 6.098508587e+02 0.96 nan 5.912779335e+02 nan nan nan 3.335947313e+02 5.914961026e+02 nan 3.461257867e+02 5.577016514e+02 0.98 nan 5.229720907e+02 8.474072711e+02 nan nan 3.068501446e+02 5.338143161e+02 nan 3.122949716e+02 5.098199021e+02 1.00 nan 4.609019186e+02 7.660114949e+02 nan 8.746193150e+02 2.800823037e+02 4.794245699e+02 7.950485422e+02 2.803876699e+02 4.631971334e+02 1.02 7.946177764e+02 4.049435686e+02 6.888559995e+02 7.946186034e+02 7.946194303e+02 2.538785191e+02 4.287056807e+02 7.171053067e+02 2.506017685e+02 4.184991662e+02 1.04 7.180052260e+02 3.548619247e+02 6.167526326e+02 7.180060692e+02 7.180069124e+02 2.287541288e+02 3.819298087e+02 6.436817645e+02 2.231008926e+02 3.763147180e+02 1.06 6.457592035e+02 3.103123451e+02 5.501267891e+02 6.457600632e+02 6.457609229e+02 2.050440733e+02 3.391740173e+02 5.753835386e+02 1.979348931e+02 3.369897400e+02 1.08 5.784550049e+02 2.708871807e+02 4.891239580e+02 5.784558814e+02 5.784567578e+02 1.829477673e+02 3.003788778e+02 5.124961015e+02 1.750738095e+02 3.006915896e+02 1.10 5.163692715e+02 2.361491336e+02 4.336912659e+02 5.163701650e+02 5.163710584e+02 1.625639070e+02 2.653925973e+02 4.550737329e+02 1.544334459e+02 2.674584450e+02 1.12 4.595614591e+02 2.056546858e+02 3.836394166e+02 4.595623697e+02 4.595632804e+02 1.439175746e+02 2.340039377e+02 4.030076976e+02 1.358944712e+02 2.372371145e+02 1.14 4.079366374e+02 1.789701143e+02 3.386894020e+02 4.079375655e+02 4.079384936e+02 1.269813522e+02 2.059665429e+02 3.560781739e+02 1.193165691e+02 2.099118132e+02 1.16 3.612936363e+02 1.556820028e+02 2.985074186e+02 3.612945821e+02 3.612955279e+02 1.116915425e+02 1.810166947e+02 3.139935023e+02 1.045487657e+02 1.853259232e+02 1.18 3.193616161e+02 1.354037084e+02 2.627306142e+02 3.193625799e+02 3.193635437e+02 9.796050923e+01 1.588860380e+02 2.764195240e+02 9.143682793e+01 1.632982662e+02 1.20 2.818276144e+02 1.177788949e+02 2.309857991e+02 2.818285964e+02 2.818295784e+02 8.568598917e+01 1.393104985e+02 2.430012384e+02 7.982850962e+01 1.436351250e+02 1.22 2.483570341e+02 1.024829749e+02 2.029027540e+02 2.483580345e+02 2.483590350e+02 7.475803085e+01 1.220363291e+02 2.133785213e+02 6.957713875e+01 1.261389648e+02 1.24 2.186086355e+02 8.922309010e+01 1.781234168e+02 2.186096546e+02 2.186106737e+02 6.506408476e+01 1.068240024e+02 1.871972703e+02 6.054394575e+01 1.106146902e+02 1.26 1.922452879e+02 7.773710528e+01 1.563079607e+02 1.922463260e+02 1.922473640e+02 5.649266433e+01 9.345051341e+01 1.641170580e+02 5.259945849e+01 9.687399526e+01 1.28 1.689414477e+02 6.779196571e+01 1.371385357e+02 1.689425049e+02 1.689435621e+02 4.893590269e+01 8.171051608e+01 1.438161364e+02 4.562415460e+01 8.473824399e+01 1.30 1.483881468e+02 5.918167285e+01 1.203212881e+02 1.483892233e+02 1.483902999e+02 4.229126810e+01 7.141662386e+01 1.259944546e+02 3.950862867e+01 7.404024886e+01 1.32 1.302960903e+02 5.172506706e+01 1.055871196e+02 1.302971865e+02 1.302982827e+02 3.646263960e+01 6.239912230e+01 1.103752025e+02 3.415350032e+01 6.462522643e+01 1.34 1.143973430e+02 4.526354539e+01 9.269154845e+01 1.143984590e+02 1.143995750e+02 3.136090388e+01 5.450528109e+01 9.670527844e+01 2.946908653e+01 5.635115062e+01 1.36 1.004459793e+02 3.965880986e+01 8.141394969e+01 1.004471154e+02 1.004482515e+02 2.690420009e+01 4.759840988e+01 8.475499185e+01 2.537491049e+01 4.908867519e+01 1.38 8.821797607e+01 3.479070285e+01 7.155637708e+01 8.821913250e+01 8.822028892e+01 2.301790648e+01 4.155675784e+01 7.431723210e+01 2.179909289e+01 4.272075015e+01 1.40 7.751057992e+01 3.055517172e+01 6.294212913e+01 7.751175687e+01 7.751293382e+01 1.963444736e+01 3.627233418e+01 6.520628333e+01 1.867762574e+01 3.714203627e+01 1.42 6.814131715e+01 2.686238288e+01 5.541417354e+01 6.814251484e+01 6.814371254e+01 1.669297699e+01 3.164962764e+01 5.725642872e+01 1.595368603e+01 3.225819070e+01 1.44 5.994677077e+01 2.363499609e+01 4.883351188e+01 5.994798942e+01 5.994920806e+01 1.413898291e+01 2.760432579e+01 5.032044056e+01 1.357700771e+01 2.798507722e+01 1.46 5.278122040e+01 2.080660174e+01 4.307755128e+01 5.278246021e+01 5.278370001e+01 1.192384473e+01 2.406222216e+01 4.426801949e+01 1.150326942e+01 2.424789703e+01 1.48 4.651519422e+01 1.832031673e+01 3.803852086e+01 4.651645539e+01 4.651771655e+01 1.000437063e+01 2.095819719e+01 3.898421734e+01 9.693506274e+00 2.098019661e+01 1.50 4.103405112e+01 1.612753196e+01 3.362196232e+01 4.103533384e+01 4.103661657e+01 8.342330024e+00 1.823525906e+01 3.436794345e+01 8.113554094e+00 1.812305945e+01 1.52 3.623661620e+01 1.418680190e+01 2.974531581e+01 3.623792067e+01 3.623922514e+01 6.903996678e+00 1.584365373e+01 3.033056326e+01 6.733532581e+00 1.562441406e+01 1.54 3.203386726e+01 1.246286487e+01 2.633660637e+01 3.203519366e+01 3.203652006e+01 5.659708925e+00 1.374004553e+01 2.679458155e+01 5.527367723e+00 1.343836990e+01 1.56 2.834769402e+01 1.092578270e+01 2.333323838e+01 2.834904252e+01 2.835039102e+01 4.583454298e+00 1.188676998e+01 2.369242025e+01 4.472355582e+00 1.152459021e+01 1.58 2.510974088e+01 9.550188547e+00 2.068089840e+01 2.511111165e+01 2.511248242e+01 3.652482179e+00 1.025115790e+01 2.096529533e+01 3.548766573e+00 9.847706898e+00 1.60 2.226033464e+01 8.314631017e+00 1.833256092e+01 2.226172785e+01 2.226312105e+01 2.846944936e+00 8.804925848e+00 1.856219207e+01 2.739487888e+00 8.376778420e+00 1.62 1.974750352e+01 7.201004659e+00 1.624759532e+01 1.974891931e+01 1.975033509e+01 2.149569629e+00 7.523630968e+00 1.643893779e+01 2.029702974e+00 7.084793633e+00 1.64 1.752608413e+01 6.194056621e+00 1.439096679e+01 1.752752264e+01 1.752896115e+01 1.545359183e+00 6.386178728e+00 1.455736670e+01 1.406605138e+00 5.948220009e+00 1.66 1.555691254e+01 5.280960181e+00 1.273252358e+01 1.555837390e+01 1.555983525e+01 1.021321692e+00 5.374325770e+00 1.288457155e+01 8.591413901e-01 4.946594201e+00 1.68 1.380609788e+01 4.450921430e+00 1.124636566e+01 1.380758221e+01 1.380906653e+01 5.662273677e-01 4.472251711e+00 1.139223694e+01 3.777565057e-01 4.062154221e+00 1.70 1.224437105e+01 3.694753463e+00 9.910285965e+00 1.224587846e+01 1.224738586e+01 1.703905996e-01 3.666249183e+00 1.005604722e+01 -4.585716626e-02 3.279509431e+00 1.72 1.084650366e+01 3.004585697e+00 8.705277837e+00 1.084803424e+01 1.084956481e+01 -1.745244705e-01 2.944455679e+00 8.855162281e+00 -4.189259854e-01 2.585345949e+00 1.74 9.590792605e+00 2.373674101e+00 7.615102703e+00 9.592346427e+00 9.593900249e+00 -4.756764117e-01 2.296616669e+00 7.771755745e+00 -7.477286868e-01 1.968165128e+00 1.76 8.458602813e+00 1.796238919e+00 6.625910529e+00 8.460179951e+00 8.461757089e+00 -7.391995068e-01 1.713876419e+00 6.790608611e+00 -1.037715145e+00 1.418051365e+00 1.78 7.433963931e+00 1.267324631e+00 5.725888464e+00 7.435564437e+00 7.437164943e+00 -9.703387122e-01 1.188594115e+00 5.898753216e+00 -1.293611369e+00 9.264670952e-01 1.80 6.503215555e+00 7.826793085e-01 4.904884316e+00 6.504839464e+00 6.506463374e+00 -1.173568368e+00 7.141826195e-01 5.085161872e+00 -1.519512083e+00 4.860722882e-01 1.82 5.654695191e+00 3.386504794e-01 4.154135647e+00 5.656342522e+00 5.657989852e+00 -1.352696611e+00 2.849671110e-01 4.340475065e+00 -1.718962380e+00 9.056550140e-02 1.84 4.878465371e+00 -6.792834393e-02 3.466083160e+00 4.880136123e+00 4.881806875e+00 -1.510956691e+00 -1.039382791e-01 3.656765041e+00 -1.895029342e+00 -2.654552956e-01 1.86 4.166075127e+00 -4.398924223e-01 2.834209024e+00 4.167769282e+00 4.169463437e+00 -1.651086780e+00 -4.567380823e-01 3.027330450e+00 -2.050364856e+00 -5.866145417e-01 1.88 3.510351757e+00 -7.798181125e-01 2.252895509e+00 3.512069276e+00 3.513786794e+00 -1.775399656e+00 -7.770492674e-01 2.446518182e+00 -2.187260649e+00 -8.768655963e-01 1.90 2.905219892e+00 -1.090051360e+00 1.717301961e+00 2.906960714e+00 2.908701536e+00 -1.885843235e+00 -1.067982662e+00 1.909569302e+00 -2.307696297e+00 -1.139583440e+00 1.92 2.345544159e+00 -1.372732219e+00 1.223257609e+00 2.347308202e+00 2.349072245e+00 -1.984053218e+00 -1.332213828e+00 1.412485899e+00 -2.413381165e+00 -1.377645435e+00 1.94 1.826992705e+00 -1.629816506e+00 7.671683909e-01 1.828779863e+00 1.830567021e+00 -2.071398746e+00 -1.572052641e+00 9.519162377e-01 -2.505790945e+00 -1.593501515e+00 1.96 1.345919203e+00 -1.863094924e+00 3.459362107e-01 1.347729345e+00 1.349539487e+00 -2.149021871e+00 -1.789517306e+00 5.250558430e-01 -2.586199437e+00 -1.789235008e+00 1.98 8.992606807e-01 -2.074209977e+00 -4.311116567e-02 9.010936493e-01 9.029266178e-01 -2.217871726e+00 -1.986380408e+00 1.295603733e-01 -2.655706201e+00 -1.966615431e+00 2.00 4.844493754e-01 -2.264670927e+00 -4.022807596e-01 4.863049859e-01 4.881605964e-01 -2.278734002e+00 -2.164201412e+00 -2.365733032e-01 -2.715260583e+00 -2.127144146e+00 2.02 9.933676706e-02 -2.435867025e+00 -7.335668241e-01 1.012148058e-01 1.030928445e-01 -2.332256341e+00 -2.324354841e+00 -5.751348112e-01 -2.765682550e+00 -2.272093837e+00 2.04 -2.578742824e-01 -2.589079543e+00 -1.038697795e+00 -2.559740597e-01 -2.540738370e-01 -2.378971013e+00 -2.468055581e+00 -8.877419139e-01 -2.807681391e+00 -2.402543826e+00 2.06 -5.887445679e-01 -2.725499525e+00 -1.319214615e+00 -5.868224376e-01 -5.849003073e-01 -2.419333304e+00 -2.596399769e+00 -1.175881498e+00 -2.841886088e+00 -2.519438887e+00 2.08 -8.947359208e-01 -2.846248154e+00 -1.576563866e+00 -8.927921928e-01 -8.908484649e-01 -2.453767328e+00 -2.710412975e+00 -1.440957861e+00 -2.868881166e+00 -2.623659140e+00 2.10 -1.177237961e+00 -2.952383142e+00 -1.812117083e+00 -1.175272981e+00 -1.173308001e+00 -2.482674965e+00 -2.811061376e+00 -1.684304011e+00 -2.889214795e+00 -2.716034562e+00 2.12 -1.437571479e+00 -3.044902028e+00 -2.027174407e+00 -1.435585628e+00 -1.433599778e+00 -2.506436981e+00 -2.899255014e+00 -1.907185062e+00 -2.903400941e+00 -2.797347720e+00 2.14 -1.676991624e+00 -3.124745324e+00 -2.222968048e+00 -1.674985325e+00 -1.672979026e+00 -2.525414543e+00 -2.975850863e+00 -2.110801472e+00 -2.911921397e+00 -2.868336349e+00 2.16 -1.896690967e+00 -3.192799491e+00 -2.400665594e+00 -1.894664681e+00 -1.892638396e+00 -2.539953913e+00 -3.041655739e+00 -2.296292120e+00 -2.915227689e+00 -2.929695794e+00 2.18 -2.097802402e+00 -3.249899779e+00 -2.561373152e+00 -2.095756635e+00 -2.093710867e+00 -2.550368863e+00 -3.097429053e+00 -2.464737252e+00 -2.913742871e+00 -2.982081314e+00 2.20 -2.281401941e+00 -3.296832912e+00 -2.706138358e+00 -2.279337241e+00 -2.277272542e+00 -2.556969341e+00 -3.143885419e+00 -2.617161291e+00 -2.907863221e+00 -3.026110264e+00 2.22 -2.448511370e+00 -3.334339656e+00 -2.835953238e+00 -2.446428335e+00 -2.444345300e+00 -2.560046368e+00 -3.181697125e+00 -2.754535513e+00 -2.897959826e+00 -3.062364170e+00 2.24 -2.600100790e+00 -3.363117240e+00 -2.951756936e+00 -2.598000065e+00 -2.595899340e+00 -2.559874300e+00 -3.211496470e+00 -2.877780609e+00 -2.884380094e+00 -3.091390678e+00 2.26 -2.737091047e+00 -3.383821674e+00 -3.054438322e+00 -2.734973329e+00 -2.732855611e+00 -2.556712663e+00 -3.233877979e+00 -2.987769117e+00 -2.867449167e+00 -3.113705408e+00 2.28 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