# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Cu3Ni # 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 2.294401937e+02 nan nan 0.82 2.193278112e+02 nan nan 0.84 2.096029987e+02 nan nan 0.86 2.001175534e+02 nan nan 0.88 1.907633670e+02 nan nan 0.90 1.814921998e+02 2.181907969e+02 nan 0.92 1.723021070e+02 2.094537462e+02 2.201817449e+02 0.94 1.631887167e+02 2.008479847e+02 2.117846381e+02 0.96 1.541782608e+02 1.922923713e+02 2.035198434e+02 0.98 1.453070218e+02 1.837810885e+02 1.953170216e+02 1.00 1.366006137e+02 1.753006446e+02 1.871473363e+02 1.02 1.281007141e+02 1.668622595e+02 1.789969987e+02 1.04 1.198342653e+02 1.584934540e+02 1.708742333e+02 1.06 1.118402636e+02 1.502092534e+02 1.627890192e+02 1.08 1.041373480e+02 1.420533813e+02 1.547675235e+02 1.10 9.674315314e+01 1.340525661e+02 1.468276961e+02 1.12 8.967725927e+01 1.262332809e+02 1.390037522e+02 1.14 8.294951228e+01 1.186122376e+02 1.313236964e+02 1.16 7.657209909e+01 1.112218083e+02 1.238070270e+02 1.18 7.054727409e+01 1.040847033e+02 1.164870340e+02 1.20 6.487053997e+01 9.721875225e+01 1.093887598e+02 1.22 5.953591057e+01 9.062639798e+01 1.025208933e+02 1.24 5.454219897e+01 8.433096756e+01 9.591014652e+01 1.26 4.987831139e+01 7.833578923e+01 8.956364577e+01 1.28 4.552878339e+01 7.264333770e+01 8.349295782e+01 1.30 4.148827006e+01 6.725208780e+01 7.769520108e+01 1.32 3.774406157e+01 6.215522268e+01 7.218300981e+01 1.34 3.428038312e+01 5.735266146e+01 6.695457877e+01 1.36 3.108034734e+01 5.283958830e+01 6.200743206e+01 1.38 2.812829773e+01 4.860554560e+01 5.733396366e+01 1.40 2.541417991e+01 4.464405458e+01 5.292483504e+01 1.42 2.292442472e+01 4.094404550e+01 4.878366555e+01 1.44 2.064319434e+01 3.749290885e+01 4.489992647e+01 1.46 1.855591425e+01 3.427617290e+01 4.126463464e+01 1.48 1.664794528e+01 3.128638061e+01 3.787021933e+01 1.50 1.490849195e+01 2.851611194e+01 3.470490093e+01 1.52 1.332733212e+01 2.595318177e+01 3.175721216e+01 1.54 1.187439996e+01 2.358473094e+01 2.901837391e+01 1.56 1.056697675e+01 2.140083984e+01 2.647867786e+01 1.58 9.343462982e+00 1.939016435e+01 2.412442806e+01 1.60 8.229579549e+00 1.754173832e+01 2.194721804e+01 1.62 7.201831342e+00 1.584387311e+01 1.993636644e+01 1.64 6.244070250e+00 1.428775826e+01 1.808312744e+01 1.66 5.352847414e+00 1.286101451e+01 1.637457046e+01 1.68 4.524664209e+00 1.153682111e+01 1.480184575e+01 1.70 3.756454151e+00 1.033856930e+01 1.335898185e+01 1.72 3.044381977e+00 9.221424252e+00 1.203701447e+01 1.74 2.385530482e+00 8.171610939e+00 1.080776020e+01 1.76 1.776022124e+00 7.214880080e+00 9.691933258e+00 1.78 1.213050377e+00 6.318872876e+00 8.618923343e+00 1.80 6.937465838e-01 5.481943595e+00 7.655244330e+00 1.82 2.151483732e-01 4.700777176e+00 6.752201691e+00 1.84 -2.242869992e-01 3.972249666e+00 5.905999780e+00 1.86 -6.277076181e-01 3.293393935e+00 5.114617575e+00 1.88 -9.961468119e-01 2.660855744e+00 4.372181455e+00 1.90 -1.331825805e+00 2.072719176e+00 3.676013896e+00 1.92 -1.636839906e+00 1.525687407e+00 3.027038126e+00 1.94 -1.913166467e+00 1.015842842e+00 2.422582194e+00 1.96 -2.162671990e+00 5.437980328e-01 1.860128330e+00 1.98 -2.387118570e+00 1.056952335e-01 1.337075219e+00 2.00 -2.588160999e+00 -2.992394697e-01 8.514645243e-01 2.02 -2.765227542e+00 -6.718914610e-01 4.011911599e-01 2.04 -2.922104018e+00 -1.014565730e+00 -1.651070561e-02 2.06 -3.060266522e+00 -1.329038190e+00 -4.024938935e-01 2.08 -3.180999176e+00 -1.616997779e+00 -7.584011680e-01 2.10 -3.285522913e+00 -1.880166442e+00 -1.086336482e+00 2.12 -3.375525457e+00 -2.119882103e+00 -1.387904690e+00 2.14 -3.451853558e+00 -2.337571436e+00 -1.664628331e+00 2.16 -3.515137513e+00 -2.535011777e+00 -1.918259592e+00 2.18 -3.567146695e+00 -2.712515201e+00 -2.149968713e+00 2.20 -3.607930254e+00 -2.870918023e+00 -2.360896275e+00 2.22 -3.638581157e+00 -3.011828635e+00 -2.552956004e+00 2.24 -3.659045126e+00 -3.136956407e+00 -2.727959611e+00 2.26 -3.670753935e+00 -3.247307722e+00 -2.883688711e+00 2.28 -3.674442155e+00 -3.343819909e+00 -3.023005456e+00 2.30 -3.670780669e+00 -3.427211553e+00 -3.147157086e+00 2.32 -3.660398118e+00 -3.498564080e+00 -3.257091530e+00 2.34 -3.643883138e+00 -3.558688049e+00 -3.353708931e+00 2.36 -3.621786491e+00 -3.608350349e+00 -3.437686350e+00 2.38 -3.594623118e+00 -3.648276735e+00 -3.509977999e+00 2.40 -3.562874088e+00 -3.679158350e+00 -3.571396487e+00 2.42 -3.527131219e+00 -3.701482716e+00 -3.622919892e+00 2.44 -3.487659214e+00 -3.715522412e+00 -3.664953020e+00 2.46 -3.444849700e+00 -3.722186769e+00 -3.698147567e+00 2.48 -3.399217212e+00 -3.722422748e+00 -3.723357302e+00 2.50 -3.351040269e+00 -3.717053699e+00 -3.741027078e+00 2.52 -3.300364284e+00 -3.706322171e+00 -3.751172261e+00 2.54 -3.247641564e+00 -3.690518390e+00 -3.754761731e+00 2.56 -3.191115935e+00 -3.669916141e+00 -3.752285245e+00 2.58 -3.132677870e+00 -3.644920059e+00 -3.744204917e+00 2.60 -3.073099204e+00 -3.617494245e+00 -3.730956634e+00 2.62 -3.012593387e+00 -3.586832805e+00 -3.712951311e+00 2.64 -2.951351132e+00 -3.552735334e+00 -3.690576097e+00 2.66 -2.890792665e+00 -3.515528680e+00 -3.664195540e+00 2.68 -2.830565520e+00 -3.475518815e+00 -3.634152695e+00 2.70 -2.770010853e+00 -3.432992709e+00 -3.600770192e+00 2.72 -2.709235758e+00 -3.387923854e+00 -3.564351260e+00 2.74 -2.648370344e+00 -3.340700184e+00 -3.525180706e+00 2.76 -2.587884381e+00 -3.291704086e+00 -3.483525692e+00 2.78 -2.527763394e+00 -3.240206900e+00 -3.439855571e+00 2.80 -2.467981150e+00 -3.186010551e+00 -3.394031901e+00 2.82 -2.408492951e+00 -3.130838470e+00 -3.346375573e+00 2.84 -2.349382720e+00 -3.074817416e+00 -3.297153408e+00 2.86 -2.290727114e+00 -3.018100450e+00 -3.245643761e+00 2.88 -2.232595330e+00 -2.960829686e+00 -3.193787963e+00 2.90 -2.175049626e+00 -2.903136913e+00 -3.140937659e+00 2.92 -2.118145797e+00 -2.845144190e+00 -3.087215973e+00 2.94 -2.061933623e+00 -2.786970106e+00 -3.032768634e+00 2.96 -2.006457305e+00 -2.729022578e+00 -2.977731283e+00 2.98 -1.951755948e+00 -2.671068067e+00 -2.922230035e+00 3.00 -1.897863901e+00 -2.613200528e+00 -2.866382039e+00 3.02 -1.844808756e+00 -2.555503339e+00 -2.810295949e+00 3.04 -1.792619205e+00 -2.498645304e+00 -2.754072436e+00 3.06 -1.741345599e+00 -2.442825636e+00 -2.697804672e+00 3.08 -1.690898976e+00 -2.387329120e+00 -2.641578706e+00 3.10 -1.641202859e+00 -2.332216881e+00 -2.585473920e+00 3.12 -1.592087509e+00 -2.277544606e+00 -2.529563426e+00 3.14 -1.543541924e+00 -2.223362893e+00 -2.473914432e+00 3.16 -1.495812676e+00 -2.169717588e+00 -2.418588594e+00 3.18 -1.449059942e+00 -2.116650058e+00 -2.363642353e+00 3.20 -1.403318727e+00 -2.064197468e+00 -2.309127250e+00 3.22 -1.358569730e+00 -2.012393069e+00 -2.255090228e+00 3.24 -1.314802860e+00 -1.961266600e+00 -2.201573910e+00 3.26 -1.272016094e+00 -1.910844401e+00 -2.148616869e+00 3.28 -1.230201153e+00 -1.861148038e+00 -2.096253907e+00 3.30 -1.189353336e+00 -1.812196941e+00 -2.044516370e+00 3.32 -1.149460765e+00 -1.764037446e+00 -1.993432150e+00 3.34 -1.110513383e+00 -1.716619714e+00 -1.943025936e+00 3.36 -1.072502906e+00 -1.669873717e+00 -1.893319775e+00 3.38 -1.035416865e+00 -1.623684589e+00 -1.844328905e+00 3.40 -9.992385608e-01 -1.577981708e+00 -1.796140102e+00 3.42 -9.639573905e-01 -1.532890106e+00 -1.748863313e+00 3.44 -9.295663624e-01 -1.488548955e+00 -1.702267018e+00 3.46 -8.960439267e-01 -1.445043025e+00 -1.656294094e+00 3.48 -8.633705630e-01 -1.402409850e+00 -1.610803914e+00 3.50 -8.315313486e-01 -1.360635668e+00 -1.565772139e+00 3.52 -8.005224337e-01 -1.319710628e+00 -1.522236763e+00 3.54 -7.703485795e-01 -1.279630861e+00 -1.479442658e+00 3.56 -7.408987650e-01 -1.240391497e+00 -1.437436174e+00 3.58 -7.121610490e-01 -1.201989398e+00 -1.396237655e+00 3.60 -6.841162915e-01 -1.164413850e+00 -1.355839344e+00 3.62 -6.568379036e-01 -1.127657615e+00 -1.316233476e+00 3.64 -6.304157173e-01 -1.091716141e+00 -1.277418398e+00 3.66 -6.049136238e-01 -1.056576531e+00 -1.239389450e+00 3.68 -5.804062154e-01 -1.022227673e+00 -1.202145873e+00 3.70 -5.570019028e-01 -9.886632237e-01 -1.165679330e+00 3.72 -5.345477938e-01 -9.558743991e-01 -1.129981716e+00 3.74 -5.128839331e-01 -9.238453107e-01 -1.095050751e+00 3.76 -4.917171715e-01 -8.925614624e-01 -1.060879843e+00 3.78 -4.708307177e-01 -8.620170668e-01 -1.027453432e+00 3.80 -4.500771855e-01 -8.322011927e-01 -9.947669893e-01 3.82 -4.293635454e-01 -8.031055752e-01 -9.628146939e-01 3.84 -4.086387810e-01 -7.746906412e-01 -9.315910247e-01 3.86 -3.878838154e-01 -7.469124872e-01 -9.010729385e-01 3.88 -3.671015921e-01 -7.197977494e-01 -8.712516394e-01 3.90 -3.462365439e-01 -6.933360139e-01 -8.421255015e-01 3.92 -3.253649888e-01 -6.675061693e-01 -8.136824986e-01 3.94 -3.045931214e-01 -6.423836217e-01 -7.859266777e-01 3.96 -2.841099214e-01 -6.180309498e-01 -7.588000902e-01 3.98 -2.640755538e-01 -5.945559002e-01 -7.322414696e-01 4.00 -2.446101592e-01 -5.719497402e-01 -7.063099248e-01 4.02 -2.258011792e-01 -5.501107886e-01 -6.809812441e-01 4.04 -2.076271800e-01 -5.289958456e-01 -6.562927279e-01 4.06 -1.930880071e-01 -5.085335555e-01 -6.323101731e-01 4.08 -1.793425246e-01 -4.885041631e-01 -6.090820188e-01 4.10 -1.662257490e-01 -4.687309246e-01 -5.866816878e-01 4.12 -1.537344587e-01 -4.490899654e-01 -5.651883711e-01 4.14 -1.418596165e-01 -4.294996306e-01 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-1.406492382e-01 -2.112360621e-01 4.52 -2.362134303e-02 -1.299488487e-01 -1.955816635e-01 4.54 -2.184717712e-02 -1.197670366e-01 -1.805621490e-01 4.56 -2.016167313e-02 -1.100878676e-01 -1.661864068e-01 4.58 -1.856054491e-02 -1.008941728e-01 -1.524554400e-01 4.60 -1.703969932e-02 -9.216794769e-02 -1.393639502e-01 4.62 -1.559522948e-02 -8.389068014e-02 -1.269016653e-01 4.64 -1.422340796e-02 -7.604361823e-02 -1.150544496e-01 4.66 -1.292067999e-02 -6.860798717e-02 -1.038052273e-01 4.68 -1.168365661e-02 -6.156516336e-02 -9.313474875e-02 4.70 -1.050910798e-02 -5.489681235e-02 -8.302222351e-02 4.72 -9.393956765e-03 -4.858499655e-02 -7.344583910e-02 4.74 -8.335271668e-03 -4.261225779e-02 -6.438318487e-02 4.76 -7.330261118e-03 -3.696167870e-02 -5.581159511e-02 4.78 -6.376267136e-03 -3.161692686e-02 -4.770842434e-02 4.80 -5.470759396e-03 -2.656228444e-02 -4.005126600e-02 4.82 -4.611329474e-03 -2.235415732e-02 -3.368477392e-02 4.84 -3.795685305e-03 -1.837143247e-02 -2.766495306e-02 4.86 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