# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Jeong-G-U-Lee-B-J--Pt-C # implementation = 2020--Jeong-G-U--Pt-C--LAMMPS--ipr1 # composition = C3Pt # 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 1.251102659e+03 nan nan 0.86 1.137703373e+03 nan nan 0.88 1.034083630e+03 nan nan 0.90 9.394401411e+02 nan nan 0.92 8.530317205e+02 1.162097381e+03 nan 0.94 7.741748693e+02 1.063132686e+03 1.249309375e+03 0.96 7.022396406e+02 9.722390440e+02 1.147182597e+03 0.98 6.366457658e+02 8.887837190e+02 1.052988421e+03 1.00 5.768590319e+02 8.121812968e+02 9.661395883e+02 1.02 5.223878911e+02 7.418903602e+02 8.860899469e+02 1.04 4.727802965e+02 6.774103809e+02 8.123317719e+02 1.06 4.276207444e+02 6.182788127e+02 7.443932492e+02 1.08 3.865275192e+02 5.640683735e+02 6.818361084e+02 1.10 3.491501216e+02 5.143845072e+02 6.242533971e+02 1.12 3.151668772e+02 4.688630132e+02 5.712673901e+02 1.14 2.842827084e+02 4.271678345e+02 5.225276255e+02 1.16 2.562270655e+02 3.889889950e+02 4.777090613e+02 1.18 2.307520025e+02 3.540406765e+02 4.365103460e+02 1.20 2.076303938e+02 3.220594280e+02 3.986521964e+02 1.22 1.866542771e+02 2.928024979e+02 3.638758775e+02 1.24 1.676333213e+02 2.660462824e+02 3.319417782e+02 1.26 1.503934054e+02 2.415848829e+02 3.026280781e+02 1.28 1.347753046e+02 2.192287648e+02 2.757294997e+02 1.30 1.206334758e+02 1.988035120e+02 2.510561413e+02 1.32 1.078349351e+02 1.801486703e+02 2.284323864e+02 1.34 9.625822160e+01 1.631166746e+02 2.076958843e+02 1.36 8.579244212e+01 1.475718536e+02 1.886965990e+02 1.38 7.633638934e+01 1.333895075e+02 1.712959209e+02 1.40 6.779773044e+01 1.204550535e+02 1.553658387e+02 1.42 6.009225931e+01 1.086632344e+02 1.407881670e+02 1.44 5.314320892e+01 9.791738623e+01 1.274538270e+02 1.46 4.688061862e+01 8.812876064e+01 1.152621767e+02 1.48 4.124075290e+01 7.921589848e+01 1.041203869e+02 1.50 3.616556729e+01 7.110405057e+01 9.394286087e+01 1.52 3.160221812e+01 6.372464269e+01 8.465069528e+01 1.54 2.750261262e+01 5.701478150e+01 7.617117817e+01 1.56 2.382299630e+01 5.091679833e+01 6.843732324e+01 1.58 2.052357478e+01 4.537782827e+01 6.138743704e+01 1.60 1.756816717e+01 4.034942195e+01 5.496471742e+01 1.62 1.492388876e+01 3.578718746e+01 4.911688080e+01 1.64 1.256086038e+01 3.165046033e+01 4.379581659e+01 1.66 1.045194268e+01 2.790199954e+01 3.895726673e+01 1.68 8.572492859e+00 2.450770731e+01 3.456052886e+01 1.70 6.900142415e+00 2.143637127e+01 3.056818117e+01 1.72 5.414593929e+00 1.865942701e+01 2.694582780e+01 1.74 4.097435518e+00 1.615073961e+01 2.366186307e+01 1.76 2.931971254e+00 1.388640264e+01 2.068725333e+01 1.78 1.903066508e+00 1.184457586e+01 1.799533525e+01 1.80 9.970066786e-01 1.000539462e+01 1.556162920e+01 1.82 2.013684478e-01 8.350709905e+00 1.336366689e+01 1.84 -4.950404462e-01 6.863909613e+00 1.138083200e+01 1.86 -1.102163411e+00 5.529793185e+00 9.594212982e+00 1.88 -1.628996443e+00 4.334456087e+00 7.986467211e+00 1.90 -2.083719890e+00 3.265183443e+00 6.541695485e+00 1.92 -2.473768461e+00 2.310352096e+00 5.245326268e+00 1.94 -2.805895407e+00 1.459340483e+00 4.084008875e+00 1.96 -3.086231404e+00 7.024456981e-01 3.045514965e+00 1.98 -3.320338495e+00 3.080722302e-02 2.118647710e+00 2.00 -3.513259543e+00 -5.636632113e-01 1.293158076e+00 2.02 -3.669563507e+00 -1.088346089e+00 5.596676730e-01 2.04 -3.793386912e+00 -1.549972697e+00 -9.040133887e-02 2.06 -3.888471798e+00 -1.954629197e+00 -6.648161959e-01 2.08 -3.958200446e+00 -2.307785835e+00 -1.170562667e+00 2.10 -4.005627125e+00 -2.614436677e+00 -1.614041329e+00 2.12 -4.033507127e+00 -2.879146994e+00 -2.001126576e+00 2.14 -4.044323280e+00 -3.106087666e+00 -2.337207277e+00 2.16 -4.040310172e+00 -3.299066869e+00 -2.627224428e+00 2.18 -4.023476250e+00 -3.461559264e+00 -2.875705992e+00 2.20 -3.995623985e+00 -3.596732864e+00 -3.086799143e+00 2.22 -3.958368242e+00 -3.707473751e+00 -3.264300090e+00 2.24 -3.913153023e+00 -3.796408815e+00 -3.411681660e+00 2.26 -3.861266696e+00 -3.865926644e+00 -3.532118799e+00 2.28 -3.803855847e+00 -3.918196724e+00 -3.628512131e+00 2.30 -3.741937862e+00 -3.955187068e+00 -3.703509733e+00 2.32 -3.676412349e+00 -3.978680392e+00 -3.759527244e+00 2.34 -3.608071489e+00 -3.990288953e+00 -3.798766423e+00 2.36 -3.537609418e+00 -3.991468163e+00 -3.823232279e+00 2.38 -3.465630715e+00 -3.983529062e+00 -3.834748879e+00 2.40 -3.392658080e+00 -3.967649757e+00 -3.834973910e+00 2.42 -3.319139272e+00 -3.944885914e+00 -3.825412114e+00 2.44 -3.245453387e+00 -3.916180382e+00 -3.807427651e+00 2.46 -3.171916539e+00 -3.882372045e+00 -3.782255486e+00 2.48 -3.098787009e+00 -3.844203960e+00 -3.751011867e+00 2.50 -3.026269938e+00 -3.802330884e+00 -3.714703949e+00 2.52 -2.954521613e+00 -3.757326243e+00 -3.674238648e+00 2.54 -2.883653431e+00 -3.709688619e+00 -3.630430756e+00 2.56 -2.813735591e+00 -3.659847842e+00 -3.584010392e+00 2.58 -2.744800586e+00 -3.608170728e+00 -3.535629824e+00 2.60 -2.676846559e+00 -3.554966537e+00 -3.485869713e+00 2.62 -2.609840597e+00 -3.500492214e+00 -3.435244826e+00 2.64 -2.543722011e+00 -3.444957455e+00 -3.384209244e+00 2.66 -2.478405683e+00 -3.388529635e+00 -3.333161127e+00 2.68 -2.413785523e+00 -3.331338645e+00 -3.282447041e+00 2.70 -2.349738097e+00 -3.273481647e+00 -3.232365907e+00 2.72 -2.286126459e+00 -3.215027757e+00 -3.183172593e+00 2.74 -2.222804231e+00 -3.156022656e+00 -3.135081170e+00 2.76 -2.159619921e+00 -3.096493099e+00 -3.088267890e+00 2.78 -2.096421500e+00 -3.036451297e+00 -3.042873882e+00 2.80 -2.033061188e+00 -2.975899125e+00 -2.999007623e+00 2.82 -1.969400414e+00 -2.914832094e+00 -2.956747188e+00 2.84 -1.905314851e+00 -2.853243038e+00 -2.916142334e+00 2.86 -1.840699441e+00 -2.791125452e+00 -2.877216426e+00 2.88 -1.775473256e+00 -2.728476410e+00 -2.839968235e+00 2.90 -1.709584055e+00 -2.665299041e+00 -2.804373654e+00 2.92 -1.643012357e+00 -2.601604498e+00 -2.770387344e+00 2.94 -1.575774843e+00 -2.537413423e+00 -2.737944339e+00 2.96 -1.507926912e+00 -2.472756911e+00 -2.706961652e+00 2.98 -1.439564198e+00 -2.407676981e+00 -2.677339892e+00 3.00 -1.370822915e+00 -2.342226608e+00 -2.648964927e+00 3.02 -1.301878882e+00 -2.276469379e+00 -2.621709609e+00 3.04 -1.232945174e+00 -2.210478842e+00 -2.595435588e+00 3.06 -1.164268362e+00 -2.144337620e+00 -2.569995216e+00 3.08 -1.096123383e+00 -2.078136390e+00 -2.545233566e+00 3.10 -1.028807164e+00 -2.011972781e+00 -2.520990550e+00 3.12 -9.626311591e-01 -1.945950275e+00 -2.497103111e+00 3.14 -8.979130589e-01 -1.880177145e+00 -2.473403536e+00 3.16 -8.349679760e-01 -1.814765473e+00 -2.449712136e+00 3.18 -7.740994521e-01 -1.749830246e+00 -2.425876913e+00 3.20 -7.155906716e-01 -1.685488544e+00 -2.401806642e+00 3.22 -6.596962677e-01 -1.621858767e+00 -2.377316415e+00 3.24 -6.066350936e-01 -1.559059897e+00 -2.352274534e+00 3.26 -5.565842904e-01 -1.497210726e+00 -2.326563525e+00 3.28 -5.096749213e-01 -1.436429024e+00 -2.300081192e+00 3.30 -4.659893599e-01 -1.376830600e+00 -2.272742262e+00 3.32 -4.255605213e-01 -1.318528239e+00 -2.244479700e+00 3.34 -3.883729267e-01 -1.261630488e+00 -2.215245663e+00 3.36 -3.543654861e-01 -1.206240314e+00 -2.185012049e+00 3.38 -3.234357943e-01 -1.152453650e+00 -2.153770623e+00 3.40 -2.954456582e-01 -1.100357884e+00 -2.121532710e+00 3.42 -2.702275235e-01 -1.050030342e+00 -2.088328450e+00 3.44 -2.475914324e-01 -1.001536845e+00 -2.054205659e+00 3.46 -2.273321522e-01 -9.549304207e-01 -2.019228305e+00 3.48 -2.092361265e-01 -9.102502365e-01 -1.983474666e+00 3.50 -1.930879486e-01 -8.675208306e-01 -1.947035230e+00 3.52 -1.786761111e-01 -8.267516914e-01 -1.910010391e+00 3.54 -1.657978553e-01 -7.879372221e-01 -1.872508034e+00 3.56 -1.542630126e-01 -7.510571017e-01 -1.834641067e+00 3.58 -1.438968001e-01 -7.160770349e-01 -1.796524990e+00 3.60 -1.345463706e-01 -6.829498582e-01 -1.758275557e+00 3.62 -1.268858886e-01 -6.516169540e-01 -1.720006600e+00 3.64 -1.249529132e-01 -6.220099066e-01 -1.681828068e+00 3.66 -1.323865212e-01 -5.940523280e-01 -1.643844318e+00 3.68 -1.328474822e-01 -5.676617733e-01 -1.606152690e+00 3.70 -1.248257862e-01 -5.427516705e-01 -1.568842386e+00 3.72 -1.174549037e-01 -5.192331914e-01 -1.531993651e+00 3.74 -1.106453425e-01 -4.970170017e-01 -1.495677259e+00 3.76 -1.043232722e-01 -4.760148379e-01 -1.459954275e+00 3.78 -9.842841055e-02 -4.561408750e-01 -1.424876087e+00 3.80 -9.291188440e-02 -4.373128575e-01 -1.390484655e+00 3.82 -8.773418578e-02 -4.194061852e-01 -1.356812961e+00 3.84 -8.286331193e-02 -3.982640124e-01 -1.323885606e+00 3.86 -7.827314227e-02 -3.545976055e-01 -1.291719527e+00 3.88 -7.394207625e-02 -2.630727255e-01 -1.260324785e+00 3.90 -6.985193132e-02 -1.846439522e-01 -1.229705392e+00 3.92 -6.598708194e-02 -1.758297486e-01 -1.199860150e+00 3.94 -6.233274202e-02 -1.674773804e-01 -1.170783465e+00 3.96 -5.800527160e-02 -1.595532910e-01 -1.142466114e+00 3.98 -4.683102716e-02 -1.520276613e-01 -1.114895961e+00 4.00 -6.559256266e-02 -1.448740074e-01 -1.088058597e+00 4.02 -1.028203176e-01 -1.380687753e-01 -1.061937894e+00 4.04 -5.839000324e-02 -1.315909511e-01 -1.036516493e+00 4.06 -5.565801849e-02 -1.254216969e-01 -1.011776201e+00 4.08 -5.305073488e-02 -1.195440219e-01 -9.876983258e-01 4.10 -5.056266125e-02 -1.139424932e-01 -9.642639343e-01 4.12 -4.818853487e-02 -1.086029865e-01 -9.414540598e-01 4.14 -4.592331286e-02 -1.035124780e-01 -9.192498577e-01 4.16 -4.376216386e-02 -9.865887335e-02 -8.976327196e-01 4.18 -4.170046002e-02 -9.403086931e-02 -8.765843560e-01 4.20 -3.973376911e-02 -8.961784455e-02 -8.560868531e-01 4.22 -3.785784701e-02 -8.540977396e-02 -8.361227099e-01 4.24 -3.606863033e-02 -8.139716202e-02 -8.166748613e-01 4.26 -3.436222937e-02 -7.757099111e-02 -7.977266913e-01 4.28 -3.273492118e-02 -7.392268108e-02 -7.792620390e-01 4.30 -3.118314304e-02 -7.044405712e-02 -7.612651992e-01 4.32 -2.970348596e-02 -6.712732379e-02 -7.437209209e-01 4.34 -2.829268856e-02 -6.396504312e-02 -7.266144036e-01 4.36 -2.694763105e-02 -6.095011598e-02 -7.099312917e-01 4.38 -2.566532953e-02 -5.807576529e-02 -6.936576694e-01 4.40 -2.444293042e-02 -5.533552101e-02 -6.777800547e-01 4.42 -2.321691008e-02 -5.256957383e-02 -6.607104109e-01 4.44 -2.124564584e-02 -4.791211208e-02 -6.225795912e-01 4.46 -1.679602702e-02 -3.713963278e-02 -5.128159275e-01 4.48 -8.335685143e-03 -1.735114696e-02 -2.726067387e-01 4.50 -3.846998588e-24 -9.404058817e-23 -1.061742491e-22 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 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