# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Kim-J-S-Seol-D-Ji-J-et-al--Cu-Pt # implementation = 2017--Kim-J-S--Cu-Pt--LAMMPS--ipr1 # composition = Cu3Pt # 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 5.076291941e+02 nan nan 0.86 4.715662024e+02 nan nan 0.88 4.379293143e+02 nan nan 0.90 4.065605785e+02 nan nan 0.92 3.773120851e+02 4.261608476e+02 nan 0.94 3.500453384e+02 3.982872526e+02 4.914045355e+02 0.96 3.246306688e+02 3.721274758e+02 4.604505844e+02 0.98 3.009466811e+02 3.475800408e+02 4.313292205e+02 1.00 2.788797366e+02 3.245493111e+02 4.039362359e+02 1.02 2.583234669e+02 3.029451622e+02 3.781731617e+02 1.04 2.391783183e+02 2.826826707e+02 3.539469606e+02 1.06 2.213511237e+02 2.636818222e+02 3.311697354e+02 1.08 2.047547018e+02 2.458672337e+02 3.097584530e+02 1.10 1.893074800e+02 2.291678924e+02 2.896346828e+02 1.12 1.749331416e+02 2.135169085e+02 2.707243485e+02 1.14 1.615602942e+02 1.988512815e+02 2.529574934e+02 1.16 1.491221594e+02 1.851116801e+02 2.362680576e+02 1.18 1.375562806e+02 1.722422335e+02 2.205936677e+02 1.20 1.268042502e+02 1.601903352e+02 2.058754362e+02 1.22 1.168114529e+02 1.489064567e+02 1.920577733e+02 1.24 1.075268250e+02 1.383439723e+02 1.790882071e+02 1.26 9.890262965e+01 1.284589936e+02 1.669172139e+02 1.28 9.089424452e+01 1.192102129e+02 1.554980578e+02 1.30 8.345996407e+01 1.105587555e+02 1.447866386e+02 1.32 7.656081353e+01 1.024680403e+02 1.347413473e+02 1.34 7.016037453e+01 9.490364822e+01 1.253229298e+02 1.36 6.422462186e+01 8.783319808e+01 1.164943582e+02 1.38 5.872177019e+01 8.122622909e+01 1.082207078e+02 1.40 5.362213061e+01 7.505409033e+01 1.004690422e+02 1.42 4.889797604e+01 6.928983626e+01 9.320830298e+01 1.44 4.452341513e+01 6.390812815e+01 8.640920654e+01 1.46 4.047427410e+01 5.888514106e+01 8.004414583e+01 1.48 3.672798603e+01 5.419847611e+01 7.408709751e+01 1.50 3.326348706e+01 4.982707765e+01 6.851353411e+01 1.52 3.006111923e+01 4.575115514e+01 6.330034094e+01 1.54 2.710253938e+01 4.195210953e+01 5.842573746e+01 1.56 2.437063386e+01 3.841246368e+01 5.386920288e+01 1.58 2.184943865e+01 3.511579687e+01 4.961140582e+01 1.60 1.952406447e+01 3.204668294e+01 4.563413779e+01 1.62 1.738062673e+01 2.919063200e+01 4.192025020e+01 1.64 1.540617989e+01 2.653403547e+01 3.845359494e+01 1.66 1.358865605e+01 2.406411422e+01 3.521896800e+01 1.68 1.191680733e+01 2.176886976e+01 3.220205638e+01 1.70 1.038015210e+01 1.963703811e+01 2.938938769e+01 1.72 8.968924500e+00 1.765804641e+01 2.676828270e+01 1.74 7.674027293e+00 1.582197198e+01 2.432681030e+01 1.76 6.486987676e+00 1.411950377e+01 2.205374510e+01 1.78 5.399915975e+00 1.254190598e+01 1.993852726e+01 1.80 4.405466955e+00 1.108098384e+01 1.797122455e+01 1.82 3.496803665e+00 9.729051307e+00 1.614249651e+01 1.84 2.667563575e+00 8.478900677e+00 1.444356060e+01 1.86 1.911826942e+00 7.323773945e+00 1.286616020e+01 1.88 1.224087180e+00 6.257335822e+00 1.140253440e+01 1.90 5.992231969e-01 5.273648330e+00 1.004538945e+01 1.92 3.247348690e-02 4.367146870e+00 8.787871824e+00 1.94 -4.805880584e-01 3.532617688e+00 7.623542760e+00 1.96 -9.440747864e-01 2.765176665e+00 6.546354224e+00 1.98 -1.361808424e+00 2.060249336e+00 5.550626228e+00 2.00 -1.737338849e+00 1.413552090e+00 4.631025415e+00 2.02 -2.073962556e+00 8.210744725e-01 3.782544837e+00 2.04 -2.374739913e+00 2.790625258e-01 3.000484882e+00 2.06 -2.642511285e+00 -2.159968861e-01 2.280435264e+00 2.08 -2.879912092e+00 -6.673908275e-01 1.618258037e+00 2.10 -3.089386875e+00 -1.078194170e+00 1.010071563e+00 2.12 -3.273202424e+00 -1.451282646e+00 4.522353951e-01 2.14 -3.433460047e+00 -1.789345134e+00 -5.866399070e-02 2.16 -3.572107014e+00 -2.094895205e+00 -5.258266442e-01 2.18 -3.690947246e+00 -2.370281986e+00 -9.522518282e-01 2.20 -3.791651279e+00 -2.617700377e+00 -1.340749980e+00 2.22 -3.875765581e+00 -2.839200649e+00 -1.693953989e+00 2.24 -3.944721225e+00 -3.036697480e+00 -2.014329828e+00 2.26 -3.999841989e+00 -3.211978432e+00 -2.304186573e+00 2.28 -4.042351911e+00 -3.366711933e+00 -2.565685848e+00 2.30 -4.073382331e+00 -3.502454771e+00 -2.800850723e+00 2.32 -4.093978459e+00 -3.620659132e+00 -3.011574099e+00 2.34 -4.105105494e+00 -3.722679222e+00 -3.199626608e+00 2.36 -4.107654331e+00 -3.809777476e+00 -3.366664050e+00 2.38 -4.102446878e+00 -3.883130402e+00 -3.514234404e+00 2.40 -4.090241007e+00 -3.943834053e+00 -3.643784426e+00 2.42 -4.071735172e+00 -3.992909184e+00 -3.756665860e+00 2.44 -4.047572701e+00 -4.031306077e+00 -3.854141286e+00 2.46 -4.018345800e+00 -4.059909079e+00 -3.937389630e+00 2.48 -3.984599278e+00 -4.079540860e+00 -4.007511341e+00 2.50 -3.946834015e+00 -4.090966404e+00 -4.065533270e+00 2.52 -3.905510182e+00 -4.094896764e+00 -4.112413251e+00 2.54 -3.861050253e+00 -4.091992571e+00 -4.149044425e+00 2.56 -3.813841786e+00 -4.082867336e+00 -4.176259290e+00 2.58 -3.764240027e+00 -4.068090541e+00 -4.194833523e+00 2.60 -3.712570320e+00 -4.048190539e+00 -4.205489565e+00 2.62 -3.659130354e+00 -4.023657276e+00 -4.208900000e+00 2.64 -3.604192245e+00 -3.994944834e+00 -4.205690719e+00 2.66 -3.548004473e+00 -3.962473823e+00 -4.196443903e+00 2.68 -3.490793684e+00 -3.926633619e+00 -4.181700825e+00 2.70 -3.432766361e+00 -3.887784456e+00 -4.161964478e+00 2.72 -3.374110372e+00 -3.846259393e+00 -4.137702045e+00 2.74 -3.314996412e+00 -3.802366155e+00 -4.109347219e+00 2.76 -3.255579338e+00 -3.756388849e+00 -4.077302386e+00 2.78 -3.195999411e+00 -3.708589578e+00 -4.041940663e+00 2.80 -3.136383439e+00 -3.659209952e+00 -4.003607822e+00 2.82 -3.076845847e+00 -3.608472495e+00 -3.962624089e+00 2.84 -3.017489664e+00 -3.556581968e+00 -3.919285835e+00 2.86 -2.958407435e+00 -3.503726604e+00 -3.873867159e+00 2.88 -2.899682070e+00 -3.450079262e+00 -3.826621376e+00 2.90 -2.841387627e+00 -3.395798504e+00 -3.777782410e+00 2.92 -2.783590041e+00 -3.341029610e+00 -3.727566100e+00 2.94 -2.726347790e+00 -3.285905517e+00 -3.676171422e+00 2.96 -2.669712523e+00 -3.230547700e+00 -3.623781642e+00 2.98 -2.613729628e+00 -3.175066996e+00 -3.570565384e+00 3.00 -2.558438766e+00 -3.119564371e+00 -3.516677640e+00 3.02 -2.503874363e+00 -3.064131639e+00 -3.462260710e+00 3.04 -2.450066058e+00 -3.008852130e+00 -3.407445086e+00 3.06 -2.397039125e+00 -2.953801315e+00 -3.352350275e+00 3.08 -2.344814858e+00 -2.899047388e+00 -3.297085575e+00 3.10 -2.293410924e+00 -2.844651811e+00 -3.241750792e+00 3.12 -2.242841694e+00 -2.790669817e+00 -3.186436918e+00 3.14 -2.193118544e+00 -2.737150885e+00 -3.131226764e+00 3.16 -2.144250134e+00 -2.684139178e+00 -3.076195546e+00 3.18 -2.096242660e+00 -2.631673955e+00 -3.021411442e+00 3.20 -2.049100096e+00 -2.579789948e+00 -2.966936100e+00 3.22 -2.002824406e+00 -2.528517720e+00 -2.912825124e+00 3.24 -1.957415743e+00 -2.477883993e+00 -2.859128518e+00 3.26 -1.912872634e+00 -2.427911957e+00 -2.805891113e+00 3.28 -1.869192148e+00 -2.378621555e+00 -2.753152946e+00 3.30 -1.826370046e+00 -2.330029747e+00 -2.700949634e+00 3.32 -1.784400925e+00 -2.282150755e+00 -2.649312710e+00 3.34 -1.743278346e+00 -2.234996298e+00 -2.598269938e+00 3.36 -1.702994954e+00 -2.188575797e+00 -2.547845608e+00 3.38 -1.663542584e+00 -2.142896577e+00 -2.498060815e+00 3.40 -1.624912357e+00 -2.097964045e+00 -2.448933707e+00 3.42 -1.587094778e+00 -2.053781865e+00 -2.400479728e+00 3.44 -1.550079810e+00 -2.010352111e+00 -2.352711839e+00 3.46 -1.513856952e+00 -1.967675413e+00 -2.305640719e+00 3.48 -1.478415307e+00 -1.925751093e+00 -2.259274960e+00 3.50 -1.443743645e+00 -1.884577285e+00 -2.213621245e+00 3.52 -1.409830456e+00 -1.844151056e+00 -2.168684507e+00 3.54 -1.376664004e+00 -1.804468506e+00 -2.124468089e+00 3.56 -1.344232371e+00 -1.765524873e+00 -2.080973879e+00 3.58 -1.312523500e+00 -1.727314615e+00 -2.038202447e+00 3.60 -1.281512155e+00 -1.689831500e+00 -1.996153162e+00 3.62 -1.248924269e+00 -1.653068681e+00 -1.954824307e+00 3.64 -1.204697724e+00 -1.617018765e+00 -1.914213182e+00 3.66 -1.160573791e+00 -1.581673879e+00 -1.874316201e+00 3.68 -1.139719431e+00 -1.547025731e+00 -1.835128983e+00 3.70 -1.116250010e+00 -1.513065664e+00 -1.796646429e+00 3.72 -1.093260446e+00 -1.479784704e+00 -1.758862803e+00 3.74 -1.070735337e+00 -1.447173610e+00 -1.721771799e+00 3.76 -1.048659566e+00 -1.415222914e+00 -1.685366606e+00 3.78 -1.027018343e+00 -1.383922960e+00 -1.649639968e+00 3.80 -1.005797236e+00 -1.353263939e+00 -1.614584239e+00 3.82 -9.849822153e-01 -1.323205149e+00 -1.580191430e+00 3.84 -9.645596841e-01 -1.291032751e+00 -1.546453258e+00 3.86 -9.445165162e-01 -1.244204877e+00 -1.513361190e+00 3.88 -9.248400895e-01 -1.169438731e+00 -1.480906476e+00 3.90 -9.055183184e-01 -1.107718009e+00 -1.449080188e+00 3.92 -8.865396838e-01 -1.082904262e+00 -1.417873252e+00 3.94 -8.678866676e-01 -1.058629803e+00 -1.387276479e+00 3.96 -8.439854250e-01 -1.034884385e+00 -1.357280588e+00 3.98 -7.722940529e-01 -1.011657848e+00 -1.327876232e+00 4.00 -5.627146167e-01 -9.889401243e-01 -1.299054023e+00 4.02 -2.435055915e-01 -9.667212531e-01 -1.270804548e+00 4.04 -2.094350896e-01 -9.449913847e-01 -1.243118391e+00 4.06 -2.038501190e-01 -9.237407895e-01 -1.215986147e+00 4.08 -1.984180598e-01 -9.029598640e-01 -1.189398435e+00 4.10 -1.931345483e-01 -8.826391358e-01 -1.163345917e+00 4.12 -1.879953431e-01 -8.627692684e-01 -1.137819306e+00 4.14 -1.829963226e-01 -8.433410651e-01 -1.112809375e+00 4.16 -1.781334825e-01 -8.243454716e-01 -1.088306971e+00 4.18 -1.734029339e-01 -8.057735788e-01 -1.064303021e+00 4.20 -1.688009001e-01 -7.876166247e-01 -1.040788540e+00 4.22 -1.643237145e-01 -7.698659955e-01 -1.017754634e+00 4.24 -1.599678176e-01 -7.525132271e-01 -9.951925130e-01 4.26 -1.557297549e-01 -7.355500049e-01 -9.730934890e-01 4.28 -1.516061735e-01 -7.189681643e-01 -9.514489838e-01 4.30 -1.475938204e-01 -7.027596905e-01 -9.302505314e-01 4.32 -1.436895388e-01 -6.869167176e-01 -9.094897814e-01 4.34 -1.398902664e-01 -6.714315282e-01 -8.891585012e-01 4.36 -1.361930322e-01 -6.562965521e-01 -8.692485783e-01 4.38 -1.325949542e-01 -6.415043649e-01 -8.497520215e-01 4.40 -1.290932369e-01 -6.270476866e-01 -8.306609624e-01 4.42 -1.253678508e-01 -6.114549972e-01 -8.100915706e-01 4.44 -1.174471437e-01 -5.762482695e-01 -7.643177597e-01 4.46 -9.549181012e-02 -4.744147712e-01 -6.322832537e-01 4.48 -4.929131929e-02 -2.516795617e-01 -3.397784450e-01 4.50 -4.833359834e-23 -2.351035154e-22 -2.087298315e-22 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 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