# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2000--Landa-A-Wynblatt-P-Siegel-D-J-et-al--Al-Pb # implementation = 2000--Landa-A--Al-Pb--LAMMPS--ipr1 # composition = Al3Pb # 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 8.300842008e+02 nan nan 0.92 7.753251936e+02 nan nan 0.94 7.259194150e+02 nan nan 0.96 6.794717579e+02 nan nan 0.98 6.360469726e+02 nan nan 1.00 5.954120905e+02 7.842312809e+02 nan 1.02 5.574811881e+02 7.366765863e+02 8.065931018e+02 1.04 5.220780369e+02 6.928860993e+02 7.579274746e+02 1.06 4.894293463e+02 6.524612848e+02 7.126674832e+02 1.08 4.588132821e+02 6.155611307e+02 6.700429704e+02 1.10 4.298951465e+02 5.808832052e+02 6.299258537e+02 1.12 4.030854487e+02 5.480606634e+02 5.921098026e+02 1.14 3.785822394e+02 5.164335613e+02 5.572298408e+02 1.16 3.556473689e+02 4.853148844e+02 5.252624078e+02 1.18 3.342454291e+02 4.556381185e+02 4.963810932e+02 1.20 3.144689223e+02 4.284271248e+02 4.699113949e+02 1.22 2.965561495e+02 4.037395938e+02 4.454133969e+02 1.24 2.807027522e+02 3.813783989e+02 4.229385124e+02 1.26 2.663177540e+02 3.611979334e+02 4.018961495e+02 1.28 2.530416029e+02 3.432535873e+02 3.821176606e+02 1.30 2.404035753e+02 3.262483015e+02 3.636744739e+02 1.32 2.282076055e+02 3.097808098e+02 3.459789626e+02 1.34 2.165530993e+02 2.939339769e+02 3.287887552e+02 1.36 2.056244120e+02 2.788673988e+02 3.124552157e+02 1.38 1.952895966e+02 2.648306892e+02 2.972815015e+02 1.40 1.851840368e+02 2.516231965e+02 2.828418990e+02 1.42 1.751395232e+02 2.391795839e+02 2.687570036e+02 1.44 1.651312744e+02 2.274798638e+02 2.548938062e+02 1.46 1.552331434e+02 2.164202366e+02 2.412867512e+02 1.48 1.454615119e+02 2.058685376e+02 2.279461208e+02 1.50 1.360105372e+02 1.956632562e+02 2.150068822e+02 1.52 1.271162103e+02 1.856267827e+02 2.026840640e+02 1.54 1.189292270e+02 1.755389935e+02 1.911762783e+02 1.56 1.115147263e+02 1.655735715e+02 1.806894418e+02 1.58 1.047831709e+02 1.559912514e+02 1.714256587e+02 1.60 9.869286995e+01 1.470505185e+02 1.631390804e+02 1.62 9.312079392e+01 1.389467434e+02 1.554367624e+02 1.64 8.803503040e+01 1.317776068e+02 1.482148127e+02 1.66 8.345073394e+01 1.254584293e+02 1.413920214e+02 1.68 7.915538401e+01 1.197427944e+02 1.349261148e+02 1.70 7.491899141e+01 1.144070785e+02 1.288156645e+02 1.72 7.068701746e+01 1.091872934e+02 1.230242593e+02 1.74 6.650020629e+01 1.039920029e+02 1.175085409e+02 1.76 6.245338072e+01 9.885866076e+01 1.121727069e+02 1.78 5.864113248e+01 9.385137053e+01 1.069226152e+02 1.80 5.514240668e+01 8.899247563e+01 1.018606701e+02 1.82 5.200899913e+01 8.430894063e+01 9.707468120e+01 1.84 4.924368500e+01 7.983609890e+01 9.264283369e+01 1.86 4.678150225e+01 7.561435262e+01 8.861834890e+01 1.88 4.454186462e+01 7.169966735e+01 8.498326199e+01 1.90 4.247209546e+01 6.810860739e+01 8.165651838e+01 1.92 4.053356025e+01 6.480090202e+01 7.851200083e+01 1.94 3.872656059e+01 6.178574384e+01 7.548558511e+01 1.96 3.703407087e+01 5.899691335e+01 7.250495157e+01 1.98 3.535933881e+01 5.620174333e+01 6.950657665e+01 2.00 3.370615299e+01 5.336480458e+01 6.649994302e+01 2.02 3.208192198e+01 5.047565070e+01 6.350748579e+01 2.04 3.048932676e+01 4.755854125e+01 6.057768483e+01 2.06 2.893648335e+01 4.466097384e+01 5.774101935e+01 2.08 2.743772619e+01 4.182291661e+01 5.499713989e+01 2.10 2.601225245e+01 3.908434737e+01 5.235705912e+01 2.12 2.461892592e+01 3.648653471e+01 4.983775004e+01 2.14 2.322496565e+01 3.407274114e+01 4.745892188e+01 2.16 2.183058054e+01 3.189372434e+01 4.515473486e+01 2.18 2.044130023e+01 2.996133074e+01 4.289587771e+01 2.20 1.906385444e+01 2.825923840e+01 4.068329444e+01 2.22 1.770438857e+01 2.673761875e+01 3.851001670e+01 2.24 1.636711822e+01 2.538449751e+01 3.636947888e+01 2.26 1.505759130e+01 2.417314155e+01 3.425693884e+01 2.28 1.379218394e+01 2.305037341e+01 3.213212475e+01 2.30 1.258647950e+01 2.199789494e+01 3.000422788e+01 2.32 1.144129918e+01 2.100874752e+01 2.789072720e+01 2.34 1.035226018e+01 2.007963973e+01 2.581927425e+01 2.36 9.314698173e+00 1.920875665e+01 2.381841539e+01 2.38 8.322869636e+00 1.839482053e+01 2.191607204e+01 2.40 7.369859641e+00 1.761704810e+01 2.012457467e+01 2.42 6.448534637e+00 1.683867560e+01 1.843634393e+01 2.44 5.552787721e+00 1.605651223e+01 1.684165009e+01 2.46 4.683683108e+00 1.527137384e+01 1.533067337e+01 2.48 3.839593253e+00 1.448443148e+01 1.391274729e+01 2.50 2.993016828e+00 1.369837234e+01 1.259091108e+01 2.52 2.140526112e+00 1.291608025e+01 1.136363978e+01 2.54 1.296931481e+00 1.214032592e+01 1.021976987e+01 2.56 5.412040510e-01 1.137310382e+01 9.131842452e+00 2.58 -1.169682707e-01 1.061240351e+01 8.100214629e+00 2.60 -6.798608266e-01 9.854384960e+00 7.125575267e+00 2.62 -1.151840067e+00 9.095729802e+00 6.207418488e+00 2.64 -1.539215959e+00 8.332987800e+00 5.345215487e+00 2.66 -1.849692914e+00 7.562387997e+00 4.538451121e+00 2.68 -2.092108215e+00 6.779532684e+00 3.786946322e+00 2.70 -2.275694274e+00 5.980414448e+00 3.093179960e+00 2.72 -2.409624911e+00 5.166325568e+00 2.461781925e+00 2.74 -2.502886643e+00 4.341731702e+00 1.899648825e+00 2.76 -2.564104359e+00 3.509806688e+00 1.425493871e+00 2.78 -2.602342057e+00 2.673059868e+00 9.879594521e-01 2.80 -2.622597690e+00 1.834105052e+00 5.748641453e-01 2.82 -2.629107624e+00 1.026349750e+00 1.866132640e-01 2.84 -2.625675926e+00 3.161291285e-01 -1.772869920e-01 2.86 -2.615374986e+00 -3.027925855e-01 -5.168597883e-01 2.88 -2.599774380e+00 -8.337317339e-01 -8.312693207e-01 2.90 -2.577161582e+00 -1.281050655e+00 -1.120823786e+00 2.92 -2.547052316e+00 -1.650230549e+00 -1.385577306e+00 2.94 -2.510785155e+00 -1.946776356e+00 -1.625712097e+00 2.96 -2.470556845e+00 -2.179178242e+00 -1.841657905e+00 2.98 -2.429124735e+00 -2.359424147e+00 -2.033286190e+00 3.00 -2.389508972e+00 -2.492869739e+00 -2.198994854e+00 3.02 -2.353236393e+00 -2.584339282e+00 -2.337559310e+00 3.04 -2.319958687e+00 -2.639529744e+00 -2.449393965e+00 3.06 -2.289264559e+00 -2.666566576e+00 -2.536542851e+00 3.08 -2.260423365e+00 -2.673798739e+00 -2.601769943e+00 3.10 -2.233216019e+00 -2.669287031e+00 -2.648222631e+00 3.12 -2.207071694e+00 -2.659498122e+00 -2.678632415e+00 3.14 -2.181850994e+00 -2.644475425e+00 -2.695600951e+00 3.16 -2.157336529e+00 -2.623142233e+00 -2.701934157e+00 3.18 -2.133548325e+00 -2.596056360e+00 -2.700550190e+00 3.20 -2.110133891e+00 -2.564852374e+00 -2.693550523e+00 3.22 -2.086951140e+00 -2.531743306e+00 -2.682953672e+00 3.24 -2.064183857e+00 -2.499140676e+00 -2.669998993e+00 3.26 -2.042020490e+00 -2.468144889e+00 -2.655148118e+00 3.28 -2.020674256e+00 -2.438679040e+00 -2.637995060e+00 3.30 -2.000390920e+00 -2.410655651e+00 -2.617904036e+00 3.32 -1.981321848e+00 -2.383999328e+00 -2.594824718e+00 3.34 -1.963536118e+00 -2.358583957e+00 -2.568805099e+00 3.36 -1.947105777e+00 -2.334328984e+00 -2.540013817e+00 3.38 -1.932002805e+00 -2.311129080e+00 -2.508761253e+00 3.40 -1.917999725e+00 -2.288186074e+00 -2.475493357e+00 3.42 -1.904825546e+00 -2.265440680e+00 -2.440833698e+00 3.44 -1.892186668e+00 -2.242966445e+00 -2.405605657e+00 3.46 -1.879777398e+00 -2.220843007e+00 -2.370680240e+00 3.48 -1.867341801e+00 -2.198690015e+00 -2.336348977e+00 3.50 -1.854646594e+00 -2.176214682e+00 -2.302822619e+00 3.52 -1.841463614e+00 -2.153596204e+00 -2.270211772e+00 3.54 -1.827573887e+00 -2.131047256e+00 -2.238591176e+00 3.56 -1.812760469e+00 -2.108795371e+00 -2.208032481e+00 3.58 -1.796832593e+00 -2.087044981e+00 -2.178600215e+00 3.60 -1.779730457e+00 -2.065899654e+00 -2.150353531e+00 3.62 -1.761520122e+00 -2.045410573e+00 -2.123316313e+00 3.64 -1.742377694e+00 -2.025572308e+00 -2.097449663e+00 3.66 -1.722498106e+00 -2.006361660e+00 -2.072735484e+00 3.68 -1.702085105e+00 -1.987744961e+00 -2.049191007e+00 3.70 -1.681292412e+00 -1.969639744e+00 -2.026780336e+00 3.72 -1.660169806e+00 -1.951881857e+00 -2.005362500e+00 3.74 -1.638749291e+00 -1.934290314e+00 -1.984787976e+00 3.76 -1.617056753e+00 -1.916676051e+00 -1.964910634e+00 3.78 -1.595113536e+00 -1.898841939e+00 -1.945591312e+00 3.80 -1.572943337e+00 -1.880603618e+00 -1.926708451e+00 3.82 -1.550575753e+00 -1.861849312e+00 -1.908151917e+00 3.84 -1.528038310e+00 -1.842483081e+00 -1.889795486e+00 3.86 -1.505356975e+00 -1.822417699e+00 -1.871490587e+00 3.88 -1.482569826e+00 -1.801637106e+00 -1.853179887e+00 3.90 -1.459726844e+00 -1.780208363e+00 -1.834880603e+00 3.92 -1.436886789e+00 -1.758213929e+00 -1.816287838e+00 3.94 -1.414164125e+00 -1.735740634e+00 -1.797373259e+00 3.96 -1.391674106e+00 -1.712881446e+00 -1.778199198e+00 3.98 -1.369533087e+00 -1.689734289e+00 -1.758845023e+00 4.00 -1.347794254e+00 -1.666406004e+00 -1.739446148e+00 4.02 -1.326437549e+00 -1.643057990e+00 -1.719863653e+00 4.04 -1.305449829e+00 -1.619913369e+00 -1.700181943e+00 4.06 -1.284812676e+00 -1.597251545e+00 -1.680677422e+00 4.08 -1.264512670e+00 -1.575350903e+00 -1.661625037e+00 4.10 -1.244538144e+00 -1.554441317e+00 -1.643276731e+00 4.12 -1.224876184e+00 -1.534671667e+00 -1.625850816e+00 4.14 -1.205493848e+00 -1.516061325e+00 -1.609384033e+00 4.16 -1.186344557e+00 -1.498539818e+00 -1.593773553e+00 4.18 -1.167381847e+00 -1.482013670e+00 -1.578904646e+00 4.20 -1.148541503e+00 -1.466276912e+00 -1.564657203e+00 4.22 -1.129757819e+00 -1.451021985e+00 -1.550907401e+00 4.24 -1.110899092e+00 -1.435954630e+00 -1.537535776e+00 4.26 -1.091756818e+00 -1.420790514e+00 -1.524424999e+00 4.28 -1.072109208e+00 -1.405337849e+00 -1.511449390e+00 4.30 -1.051723240e+00 -1.389385158e+00 -1.498493755e+00 4.32 -1.030355059e+00 -1.372713586e+00 -1.485446469e+00 4.34 -1.007750803e+00 -1.355122979e+00 -1.472184560e+00 4.36 -9.836457776e-01 -1.336428627e+00 -1.458583724e+00 4.38 -9.577647746e-01 -1.316470160e+00 -1.444540066e+00 4.40 -9.299151674e-01 -1.295197088e+00 -1.430052175e+00 4.42 -9.003386172e-01 -1.272645514e+00 -1.415162204e+00 4.44 -8.691093872e-01 -1.248884105e+00 -1.399912071e+00 4.46 -8.362380043e-01 -1.224008056e+00 -1.384344728e+00 4.48 -8.017858794e-01 -1.198156321e+00 -1.368503582e+00 4.50 -7.658636206e-01 -1.171497199e+00 -1.352430674e+00 4.52 -7.286316320e-01 -1.144212057e+00 -1.336166598e+00 4.54 -6.903362252e-01 -1.116493377e+00 -1.319749901e+00 4.56 -6.513407639e-01 -1.088543157e+00 -1.303216446e+00 4.58 -6.120605435e-01 -1.060571118e+00 -1.286598695e+00 4.60 -5.729507393e-01 -1.032792681e+00 -1.269924938e+00 4.62 -5.343846571e-01 -1.005426591e+00 -1.253218336e+00 4.64 -4.955816898e-01 -9.786991249e-01 -1.236499323e+00 4.66 -4.565608299e-01 -9.528677506e-01 -1.219798115e+00 4.68 -4.176666715e-01 -9.282019387e-01 -1.203146080e+00 4.70 -3.792621612e-01 -9.049590594e-01 -1.186570799e+00 4.72 -3.417276318e-01 -8.833730037e-01 -1.170085990e+00 4.74 -3.054578965e-01 -8.636171260e-01 -1.153628532e+00 4.76 -2.708626904e-01 -8.458320130e-01 -1.137095270e+00 4.78 -2.383530225e-01 -8.295978778e-01 -1.120379241e+00 4.80 -2.083370584e-01 -8.135636500e-01 -1.103369773e+00 4.82 -1.812248547e-01 -7.976336130e-01 -1.085952622e+00 4.84 -1.573934165e-01 -7.817504423e-01 -1.068009959e+00 4.86 -1.371427675e-01 -7.657798578e-01 -1.049420718e+00 4.88 -1.209533918e-01 -7.497030522e-01 -1.030061190e+00 4.90 -1.092195211e-01 -7.334514988e-01 -1.009782281e+00 4.92 -1.022623480e-01 -7.165826722e-01 -9.884430875e-01 4.94 -9.833910400e-02 -6.990969199e-01 -9.661622996e-01 4.96 -9.492632425e-02 -6.809479225e-01 -9.428863064e-01 4.98 -9.198899260e-02 -6.620493992e-01 -9.185121658e-01 5.00 -8.942999260e-02 -6.423211104e-01 -8.929428391e-01 5.02 -8.703279810e-02 -6.216868480e-01 -8.660789113e-01 5.04 -8.477105965e-02 -6.000746114e-01 -8.378214045e-01 5.06 -8.260988218e-02 -5.774189766e-01 -8.080748891e-01 5.08 -8.035469609e-02 -5.536886635e-01 -7.767885723e-01 5.10 -7.792974986e-02 -5.288790786e-01 -7.439451139e-01 5.12 -7.530363488e-02 -5.029904414e-01 -7.095278532e-01 5.14 -7.244472204e-02 -4.760273062e-01 -6.735202003e-01 5.16 -6.934112458e-02 -4.480455822e-01 -6.359634337e-01 5.18 -6.602010859e-02 -4.192035219e-01 -5.970269117e-01 5.20 -6.251379873e-02 -3.896852853e-01 -5.569226333e-01 5.22 -5.885448790e-02 -3.596903464e-01 -5.158934845e-01 5.24 -5.507465978e-02 -3.294333958e-01 -4.742137826e-01 5.26 -5.120697976e-02 -2.991438733e-01 -4.321891571e-01 5.28 -4.728426939e-02 -2.690653095e-01 -3.901559762e-01 5.30 -4.333946657e-02 -2.394544684e-01 -3.484800783e-01 5.32 -3.940558186e-02 -2.105834100e-01 -3.075547267e-01 5.34 -3.551564456e-02 -1.827263046e-01 -2.677985318e-01 5.36 -3.170264607e-02 -1.561572067e-01 -2.296568807e-01 5.38 -2.799948807e-02 -1.311264986e-01 -1.935778414e-01 5.40 -2.443878084e-02 -1.078140221e-01 -1.600214922e-01 5.42 -2.104705065e-02 -8.664582378e-02 -1.293604900e-01 5.44 -1.784310600e-02 -6.799183976e-02 -1.018868205e-01 5.46 -1.484504211e-02 -5.212603597e-02 -7.825570880e-02 5.48 -1.207076708e-02 -3.925501111e-02 -5.896836630e-02 5.50 -9.538008284e-03 -2.957084090e-02 -4.442168115e-02 5.52 -7.264334841e-03 -2.226076798e-02 -3.343684201e-02 5.54 -5.267186519e-03 -1.595508790e-02 -2.396040268e-02 5.56 -3.563908190e-03 -1.067913079e-02 -1.603292508e-02 5.58 -2.171802869e-03 -6.484685644e-03 -9.732788223e-03 5.60 -1.108194187e-03 -3.308877910e-03 -4.964915300e-03 5.62 -3.904730697e-04 -1.165837774e-03 -1.748963937e-03 5.64 -3.579559765e-05 -1.068888383e-04 -1.603350418e-04 5.66 4.762688442e-07 1.422924213e-06 2.134386000e-06 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00