# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt # implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgPd3 # 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 2026-08-31 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 3.239634048e+06 nan nan 0.80 2.941673239e+06 nan nan 0.82 2.672288394e+06 nan nan 0.84 2.428152283e+06 nan nan 0.86 2.206412146e+06 3.113152283e+06 nan 0.88 2.004589437e+06 2.850063521e+06 3.174233653e+06 0.90 1.820517593e+06 2.610040487e+06 2.912691422e+06 0.92 1.652306164e+06 2.390618625e+06 2.673582423e+06 0.94 1.498324053e+06 2.189658689e+06 2.454589707e+06 0.96 1.357125170e+06 2.005266928e+06 2.253637925e+06 0.98 1.227401189e+06 1.835797568e+06 2.068920080e+06 1.00 1.108031390e+06 1.679791577e+06 1.898831102e+06 1.02 9.980131562e+05 1.535975036e+06 1.741996727e+06 1.04 8.964740640e+05 1.403171523e+06 1.597184558e+06 1.06 8.026330701e+05 1.280356208e+06 1.463259708e+06 1.08 7.157994621e+05 1.166638030e+06 1.339241736e+06 1.10 6.353261606e+05 1.061185332e+06 1.224215503e+06 1.12 5.606561493e+05 9.632796169e+05 1.117404673e+06 1.14 4.912897588e+05 8.722811821e+05 1.018100081e+06 1.16 4.267883504e+05 7.875880227e+05 9.256719266e+05 1.18 3.667430458e+05 7.086793784e+05 8.395589900e+05 1.20 3.107869533e+05 6.350958886e+05 7.592377769e+05 1.22 2.585984433e+05 5.664136964e+05 6.842483856e+05 1.24 2.101289148e+05 5.022244899e+05 6.141697547e+05 1.26 1.668631415e+05 4.421814387e+05 5.485991605e+05 1.28 1.314825256e+05 3.859724007e+05 4.871929984e+05 1.30 1.037730153e+05 3.333120340e+05 4.296399333e+05 1.32 8.201915615e+04 2.839180867e+05 3.756478804e+05 1.34 6.491101268e+04 2.375368065e+05 3.249507592e+05 1.36 5.143608866e+04 1.947332771e+05 2.773114151e+05 1.38 4.080625535e+04 1.568042996e+05 2.325172222e+05 1.40 3.240604529e+04 1.260248668e+05 1.911626961e+05 1.42 2.575921137e+04 1.014214819e+05 1.546451113e+05 1.44 2.049365217e+04 8.171856784e+04 1.250134797e+05 1.46 1.631785040e+04 6.591724881e+04 1.011865250e+05 1.48 1.300251579e+04 5.322853093e+04 8.199992488e+04 1.50 1.036674860e+04 4.302596812e+04 6.652596339e+04 1.52 8.269390379e+03 3.481270706e+04 5.402253710e+04 1.54 6.599325051e+03 2.819353762e+04 4.390791757e+04 1.56 5.268649577e+03 2.285257742e+04 3.571711515e+04 1.58 4.207721396e+03 1.853620540e+04 2.907709903e+04 1.60 3.361387436e+03 1.504287823e+04 2.368898311e+04 1.62 2.685650558e+03 1.221349891e+04 1.931286632e+04 1.64 2.145794417e+03 9.920429691e+03 1.575472120e+04 1.66 1.714364287e+03 8.060833272e+03 1.285865695e+04 1.68 1.369526575e+03 6.551865218e+03 1.049988132e+04 1.70 1.093865512e+03 5.326824864e+03 8.577524968e+03 1.72 8.734435717e+02 4.331859118e+03 7.009806878e+03 1.74 6.971583357e+02 3.523414968e+03 5.730579348e+03 1.76 5.561758579e+02 2.866225296e+03 4.686254706e+03 1.78 4.434252152e+02 2.331829583e+03 3.833319229e+03 1.80 3.532571223e+02 1.897108167e+03 3.136236757e+03 1.82 2.811674011e+02 1.543228181e+03 2.565943575e+03 1.84 2.235511139e+02 1.255126086e+03 2.099273864e+03 1.86 1.775194840e+02 1.020569829e+03 1.717346269e+03 1.88 1.407571530e+02 8.296096673e+02 1.404739968e+03 1.90 1.114093121e+02 6.741457912e+02 1.148848660e+03 1.92 8.798917131e+01 5.475772186e+02 9.393665409e+02 1.94 6.930701729e+01 4.445437495e+02 7.678761649e+02 1.96 5.441049571e+01 3.606834090e+02 6.274923614e+02 1.98 4.253653812e+01 2.924416086e+02 5.125799004e+02 2.00 3.307377996e+01 2.369203323e+02 4.185250096e+02 2.02 2.552712880e+01 1.917448516e+02 3.415448615e+02 2.04 1.951051480e+01 1.549943596e+02 2.785273106e+02 2.06 1.471644816e+01 1.251075839e+02 2.269048732e+02 2.08 1.089845930e+01 1.008105158e+02 1.846317961e+02 2.10 7.859173366e+00 8.105504406e+01 1.500298631e+02 2.12 5.440669943e+00 6.499559871e+01 1.217198061e+02 2.14 3.516815063e+00 5.194569440e+01 9.856816740e+01 2.16 1.986923164e+00 4.134045171e+01 7.964315782e+01 2.18 7.706969152e-01 3.272631679e+01 6.418059986e+01 2.20 -1.958252591e-01 2.573367482e+01 5.155316145e+01 2.22 -9.635316369e-01 2.006056866e+01 4.124576492e+01 2.24 -1.572861485e+00 1.546064764e+01 3.283620083e+01 2.26 -2.055914058e+00 1.173290542e+01 2.597823035e+01 2.28 -2.438141756e+00 8.713514735e+00 2.038803807e+01 2.30 -2.739692778e+00 6.269081615e+00 1.583311716e+01 2.32 -2.976485142e+00 4.291046320e+00 1.212285137e+01 2.34 -3.161141357e+00 2.691143371e+00 9.101309339e+00 2.36 -3.303671540e+00 1.397697075e+00 6.641460305e+00 2.38 -3.411941545e+00 3.525549303e-01 4.639486548e+00 2.40 -3.492160187e+00 -4.914243527e-01 3.010592627e+00 2.42 -3.549228531e+00 -1.172415133e+00 1.684987086e+00 2.44 -3.587065982e+00 -1.721297871e+00 6.064128129e-01 2.46 -3.608831238e+00 -2.163049865e+00 -2.706044734e-01 2.48 -3.617040639e+00 -2.517826115e+00 -9.831695688e-01 2.50 -3.613715740e+00 -2.801846550e+00 -1.561527522e+00 2.52 -3.600529532e+00 -3.028191735e+00 -2.030307389e+00 2.54 -3.578857702e+00 -3.207404862e+00 -2.409534204e+00 2.56 -3.549843159e+00 -3.347981325e+00 -2.715472976e+00 2.58 -3.514446571e+00 -3.456766619e+00 -2.961347178e+00 2.60 -3.473485685e+00 -3.539279233e+00 -3.157891035e+00 2.62 -3.427665777e+00 -3.599972243e+00 -3.313814018e+00 2.64 -3.377603144e+00 -3.642444879e+00 -3.436181376e+00 2.66 -3.323843113e+00 -3.669613291e+00 -3.530725332e+00 2.68 -3.266873804e+00 -3.683848098e+00 -3.602099197e+00 2.70 -3.207100535e+00 -3.687054806e+00 -3.654042626e+00 2.72 -3.144888851e+00 -3.680788757e+00 -3.689589658e+00 2.74 -3.080607192e+00 -3.666359692e+00 -3.711249037e+00 2.76 -3.014595852e+00 -3.644859877e+00 -3.721074501e+00 2.78 -2.947170330e+00 -3.617208397e+00 -3.720754499e+00 2.80 -2.878623842e+00 -3.584186165e+00 -3.711684646e+00 2.82 -2.809229217e+00 -3.546350192e+00 -3.695026092e+00 2.84 -2.739231355e+00 -3.504173004e+00 -3.671741746e+00 2.86 -2.668856964e+00 -3.458151789e+00 -3.642643261e+00 2.88 -2.598264399e+00 -3.408736028e+00 -3.608432914e+00 2.90 -2.527508111e+00 -3.356328877e+00 -3.569717291e+00 2.92 -2.456769290e+00 -3.301295195e+00 -3.527025892e+00 2.94 -2.386221860e+00 -3.243967827e+00 -3.480825857e+00 2.96 -2.316026166e+00 -3.184635735e+00 -3.431533598e+00 2.98 -2.246326356e+00 -3.123536860e+00 -3.379523923e+00 3.00 -2.177217737e+00 -3.060929802e+00 -3.325137196e+00 3.02 -2.108810469e+00 -2.997057602e+00 -3.268684897e+00 3.04 -2.041215007e+00 -2.932147245e+00 -3.210453963e+00 3.06 -1.974530938e+00 -2.866411041e+00 -3.150710125e+00 3.08 -1.908847509e+00 -2.800047709e+00 -3.089700505e+00 3.10 -1.844244158e+00 -2.733243226e+00 -3.027647030e+00 3.12 -1.780791038e+00 -2.666171525e+00 -2.964600430e+00 3.14 -1.718542456e+00 -2.598995059e+00 -2.900697162e+00 3.16 -1.657519911e+00 -2.531865293e+00 -2.836123521e+00 3.18 -1.597765724e+00 -2.464923129e+00 -2.771054072e+00 3.20 -1.539318959e+00 -2.398299300e+00 -2.705652305e+00 3.22 -1.482211996e+00 -2.332114737e+00 -2.640071178e+00 3.24 -1.426470989e+00 -2.266480922e+00 -2.574453582e+00 3.26 -1.372115779e+00 -2.201500238e+00 -2.508931609e+00 3.28 -1.319141200e+00 -2.137266317e+00 -2.443586223e+00 3.30 -1.267547280e+00 -2.073808516e+00 -2.378510709e+00 3.32 -1.217339876e+00 -2.011119168e+00 -2.313811707e+00 3.34 -1.168520785e+00 -1.949269109e+00 -2.249587766e+00 3.36 -1.121088104e+00 -1.888323060e+00 -2.185929658e+00 3.38 -1.075036567e+00 -1.828338987e+00 -2.122920668e+00 3.40 -1.030357861e+00 -1.769368433e+00 -2.060636903e+00 3.42 -9.870409318e-01 -1.711456837e+00 -1.999147585e+00 3.44 -9.450722614e-01 -1.654643867e+00 -1.938515354e+00 3.46 -9.044361369e-01 -1.598961882e+00 -1.878796564e+00 3.48 -8.651148971e-01 -1.544412579e+00 -1.820041584e+00 3.50 -8.270891641e-01 -1.491011061e+00 -1.762295095e+00 3.52 -7.903380587e-01 -1.438777098e+00 -1.705596381e+00 3.54 -7.548394008e-01 -1.387726354e+00 -1.649979626e+00 3.56 -7.205698943e-01 -1.337870665e+00 -1.595474197e+00 3.58 -6.875052990e-01 -1.289218318e+00 -1.542104928e+00 3.60 -6.556205880e-01 -1.241774309e+00 -1.489892397e+00 3.62 -6.248900933e-01 -1.195540602e+00 -1.438853193e+00 3.64 -5.952876390e-01 -1.150516365e+00 -1.389000180e+00 3.66 -5.667866632e-01 -1.106698208e+00 -1.340342751e+00 3.68 -5.393603291e-01 -1.064080396e+00 -1.292887074e+00 3.70 -5.129816261e-01 -1.022655061e+00 -1.246636327e+00 3.72 -4.876234622e-01 -9.824124028e-01 -1.201590926e+00 3.74 -4.632587459e-01 -9.433408695e-01 -1.157748743e+00 3.76 -4.398604621e-01 -9.054273393e-01 -1.115105314e+00 3.78 -4.174017382e-01 -8.686572839e-01 -1.073654040e+00 3.80 -3.958559048e-01 -8.330149249e-01 -1.033378156e+00 3.82 -3.751965485e-01 -7.984833798e-01 -9.942179336e-01 3.84 -3.553975595e-01 -7.650447980e-01 -9.561549689e-01 3.86 -3.364331730e-01 -7.326804887e-01 -9.191780235e-01 3.88 -3.182780056e-01 -7.013710386e-01 -8.832745577e-01 3.90 -3.009070869e-01 -6.710964225e-01 -8.484308660e-01 3.92 -2.842958861e-01 -6.418361049e-01 -8.146322053e-01 3.94 -2.684203360e-01 -6.135691346e-01 -7.818629150e-01 3.96 -2.532568514e-01 -5.862742314e-01 -7.501065295e-01 3.98 -2.387823455e-01 -5.599298663e-01 -7.193458833e-01 4.00 -2.249742428e-01 -5.345143349e-01 -6.895598549e-01 4.02 -2.118104886e-01 -5.100058251e-01 -6.607163460e-01 4.04 -1.992695573e-01 -4.863824780e-01 -6.327955211e-01 4.06 -1.873304568e-01 -4.636224444e-01 -6.057787665e-01 4.08 -1.759727319e-01 -4.417039358e-01 -5.796472062e-01 4.10 -1.651764654e-01 -4.206052697e-01 -5.543817670e-01 4.12 -1.549222778e-01 -4.003049120e-01 -5.299632376e-01 4.14 -1.451913251e-01 -3.807815136e-01 -5.063723237e-01 4.16 -1.359652953e-01 -3.620139442e-01 -4.835896976e-01 4.18 -1.272264044e-01 -3.439813219e-01 -4.615960439e-01 4.20 -1.189573902e-01 -3.266630393e-01 -4.403721013e-01 4.22 -1.111415061e-01 -3.100387869e-01 -4.198987003e-01 4.24 -1.037625139e-01 -2.940885731e-01 -4.001567973e-01 4.26 -9.680467527e-02 -2.787927419e-01 -3.811275054e-01 4.28 -9.025274391e-02 -2.641319875e-01 -3.627921225e-01 4.30 -8.409195574e-02 -2.500873675e-01 -3.451321553e-01 4.32 -7.830801970e-02 -2.366403131e-01 -3.281293421e-01 4.34 -7.288710775e-02 -2.237726380e-01 -3.117656715e-01 4.36 -6.781584470e-02 -2.114665449e-01 -2.960234005e-01 4.38 -6.308004533e-02 -1.997046310e-01 -2.808850684e-01 4.40 -5.861737146e-02 -1.884698916e-01 -2.663335105e-01 4.42 -5.439231199e-02 -1.777457226e-01 -2.523518685e-01 4.44 -5.039639994e-02 -1.675159216e-01 -2.389236005e-01 4.46 -4.662144262e-02 -1.577646876e-01 -2.260324878e-01 4.48 -4.305951486e-02 -1.484766206e-01 -2.136626422e-01 4.50 -3.970286295e-02 -1.396367195e-01 -2.017985098e-01 4.52 -3.654383172e-02 -1.312303790e-01 -1.904248756e-01 4.54 -3.357547614e-02 -1.232433870e-01 -1.795268655e-01 4.56 -3.079104253e-02 -1.156619197e-01 -1.690899476e-01 4.58 -2.818393302e-02 -1.084725377e-01 -1.590999336e-01 4.60 -2.574772060e-02 -1.016621804e-01 -1.495429777e-01 4.62 -2.347616124e-02 -9.521816051e-02 -1.404055757e-01 4.64 -2.136320134e-02 -8.912815826e-02 -1.316745637e-01 4.66 -1.940298205e-02 -8.335736033e-02 -1.233371152e-01 4.68 -1.758984106e-02 -7.786281603e-02 -1.153807384e-01 4.70 -1.591831220e-02 -7.263516770e-02 -1.077932728e-01 4.72 -1.438311266e-02 -6.766557959e-02 -1.005628853e-01 4.74 -1.297897057e-02 -6.294547830e-02 -9.367806577e-02 4.76 -1.170101585e-02 -5.846654718e-02 -8.712762258e-02 4.78 -1.054463301e-02 -5.422072073e-02 -8.090067771e-02 4.80 -9.503580458e-03 -5.020017891e-02 -7.498666149e-02 4.82 -8.544875532e-03 -4.639734160e-02 -6.937530727e-02 4.84 -7.655586496e-03 -4.280486331e-02 -6.405664575e-02 4.86 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