# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Al # implementation = 2020--Farkas-D--Fe-Ni-Cr-Co-Al--LAMMPS--ipr1 # composition = Al3Co # 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 -2.600159933e+02 nan nan 0.92 -2.433317227e+02 nan nan 0.94 -2.277558419e+02 nan nan 0.96 -2.133287333e+02 nan nan 0.98 -1.999847961e+02 nan nan 1.00 -1.876100243e+02 nan nan 1.02 -1.760868308e+02 -2.315873984e+02 -2.506359644e+02 1.04 -1.652670796e+02 -2.187405817e+02 -2.359785448e+02 1.06 -1.549798866e+02 -2.065389510e+02 -2.222260615e+02 1.08 -1.453121770e+02 -1.949325639e+02 -2.090547756e+02 1.10 -1.363913272e+02 -1.838376111e+02 -1.965833133e+02 1.12 -1.283038640e+02 -1.731566331e+02 -1.850496544e+02 1.14 -1.211237675e+02 -1.629259226e+02 -1.746584012e+02 1.16 -1.148154424e+02 -1.532717869e+02 -1.654545349e+02 1.18 -1.092976831e+02 -1.444109823e+02 -1.573063492e+02 1.20 -1.043603269e+02 -1.365351182e+02 -1.501055377e+02 1.22 -9.970800206e+01 -1.296469368e+02 -1.436634497e+02 1.24 -9.510856825e+01 -1.235532678e+02 -1.377586185e+02 1.26 -9.048565738e+01 -1.180713402e+02 -1.321769930e+02 1.28 -8.587860735e+01 -1.130681920e+02 -1.267483088e+02 1.30 -8.133076213e+01 -1.084457413e+02 -1.214058621e+02 1.32 -7.686234369e+01 -1.040845472e+02 -1.161160834e+02 1.34 -7.250512681e+01 -9.983978260e+01 -1.108790136e+02 1.36 -6.825505122e+01 -9.562170679e+01 -1.057579076e+02 1.38 -6.408751299e+01 -9.140249165e+01 -1.007595981e+02 1.40 -5.998583199e+01 -8.716912645e+01 -9.581686002e+01 1.42 -5.596574500e+01 -8.288666009e+01 -9.092204011e+01 1.44 -5.206299366e+01 -7.852713633e+01 -8.614227899e+01 1.46 -4.829039540e+01 -7.404260374e+01 -8.153038064e+01 1.48 -4.462109152e+01 -6.942584855e+01 -7.709119980e+01 1.50 -4.101622996e+01 -6.476019984e+01 -7.277882770e+01 1.52 -3.747473778e+01 -6.016319127e+01 -6.852943410e+01 1.54 -3.403498160e+01 -5.572844179e+01 -6.430633102e+01 1.56 -3.074791503e+01 -5.150091592e+01 -6.011500858e+01 1.58 -2.765637123e+01 -4.749463791e+01 -5.597739356e+01 1.60 -2.477278815e+01 -4.370748211e+01 -5.193364147e+01 1.62 -2.206766928e+01 -4.012916899e+01 -4.802534239e+01 1.64 -1.950978640e+01 -3.677887952e+01 -4.427394299e+01 1.66 -1.709647322e+01 -3.368081996e+01 -4.069710832e+01 1.68 -1.486003374e+01 -3.083547572e+01 -3.730171793e+01 1.70 -1.283988870e+01 -2.823725344e+01 -3.410007895e+01 1.72 -1.105094367e+01 -2.587934479e+01 -3.111238898e+01 1.74 -9.485328686e+00 -2.374661150e+01 -2.836418364e+01 1.76 -8.119966598e+00 -2.182219487e+01 -2.588607001e+01 1.78 -6.930201468e+00 -2.007688210e+01 -2.367468879e+01 1.80 -5.898919924e+00 -1.847681450e+01 -2.170544589e+01 1.82 -5.017048704e+00 -1.699197783e+01 -1.994739906e+01 1.84 -4.280795623e+00 -1.560280309e+01 -1.837157784e+01 1.86 -3.744243013e+00 -1.430888734e+01 -1.695936010e+01 1.88 -3.396311834e+00 -1.310832903e+01 -1.569926345e+01 1.90 -3.176825919e+00 -1.198743538e+01 -1.457717071e+01 1.92 -3.040159158e+00 -1.092442270e+01 -1.358169636e+01 1.94 -2.953754072e+00 -9.900242360e+00 -1.269888766e+01 1.96 -2.911238661e+00 -8.909003712e+00 -1.191220291e+01 1.98 -2.895606124e+00 -7.956608866e+00 -1.120499304e+01 2.00 -2.894489634e+00 -7.052212933e+00 -1.055506418e+01 2.02 -2.901193905e+00 -6.205127552e+00 -9.935275998e+00 2.04 -2.913052002e+00 -5.418839627e+00 -9.315266976e+00 2.06 -2.930294846e+00 -4.687805594e+00 -8.674773849e+00 2.08 -2.954519916e+00 -4.058999812e+00 -8.006209479e+00 2.10 -2.986533087e+00 -3.574742708e+00 -7.315788232e+00 2.12 -3.025340601e+00 -3.202881444e+00 -6.619614414e+00 2.14 -3.069241324e+00 -2.928503213e+00 -5.939371942e+00 2.16 -3.116756234e+00 -2.735490097e+00 -5.305264577e+00 2.18 -3.166891687e+00 -2.609688161e+00 -4.714312702e+00 2.20 -3.218512341e+00 -2.540326539e+00 -4.164242249e+00 2.22 -3.271004409e+00 -2.518326955e+00 -3.715848125e+00 2.24 -3.324024147e+00 -2.535694131e+00 -3.368927509e+00 2.26 -3.376452344e+00 -2.583116441e+00 -3.110833741e+00 2.28 -3.426810043e+00 -2.651597595e+00 -2.931673700e+00 2.30 -3.473744373e+00 -2.733434298e+00 -2.821152802e+00 2.32 -3.515598861e+00 -2.822458715e+00 -2.767862063e+00 2.34 -3.550938644e+00 -2.914083726e+00 -2.759771617e+00 2.36 -3.578692531e+00 -3.005087433e+00 -2.784688279e+00 2.38 -3.597911540e+00 -3.093369406e+00 -2.831506366e+00 2.40 -3.608634803e+00 -3.177565294e+00 -2.890846740e+00 2.42 -3.612136573e+00 -3.256893211e+00 -2.955357130e+00 2.44 -3.610622198e+00 -3.331181979e+00 -3.020490040e+00 2.46 -3.606493005e+00 -3.400230452e+00 -3.083646441e+00 2.48 -3.599474044e+00 -3.464030669e+00 -3.143149308e+00 2.50 -3.588893076e+00 -3.522485070e+00 -3.197851320e+00 2.52 -3.574361605e+00 -3.575033973e+00 -3.246949715e+00 2.54 -3.555340381e+00 -3.620668925e+00 -3.291076553e+00 2.56 -3.530976546e+00 -3.658184028e+00 -3.331713048e+00 2.58 -3.500304238e+00 -3.686784853e+00 -3.369621941e+00 2.60 -3.463585752e+00 -3.706105621e+00 -3.405107680e+00 2.62 -3.422108547e+00 -3.716153096e+00 -3.438068549e+00 2.64 -3.377086107e+00 -3.717439992e+00 -3.467808640e+00 2.66 -3.329523881e+00 -3.710937411e+00 -3.493731231e+00 2.68 -3.280347962e+00 -3.698040280e+00 -3.515589411e+00 2.70 -3.230384939e+00 -3.680383531e+00 -3.533439030e+00 2.72 -3.180333209e+00 -3.659372866e+00 -3.547559994e+00 2.74 -3.130788127e+00 -3.636103220e+00 -3.558569757e+00 2.76 -3.082187605e+00 -3.611442055e+00 -3.567063509e+00 2.78 -3.034808323e+00 -3.586293250e+00 -3.573354637e+00 2.80 -2.988819369e+00 -3.561469743e+00 -3.577536702e+00 2.82 -2.944042022e+00 -3.537415019e+00 -3.579683547e+00 2.84 -2.900079928e+00 -3.513790773e+00 -3.579355890e+00 2.86 -2.856541671e+00 -3.489675714e+00 -3.575900207e+00 2.88 -2.813108098e+00 -3.463635982e+00 -3.568722112e+00 2.90 -2.769412416e+00 -3.434353081e+00 -3.557569423e+00 2.92 -2.725172024e+00 -3.401464722e+00 -3.542257059e+00 2.94 -2.680278033e+00 -3.364856134e+00 -3.522701744e+00 2.96 -2.634780758e+00 -3.324570824e+00 -3.498967345e+00 2.98 -2.588852852e+00 -3.280831275e+00 -3.471260820e+00 3.00 -2.542726171e+00 -3.234008870e+00 -3.439946970e+00 3.02 -2.496618509e+00 -3.184574975e+00 -3.405487398e+00 3.04 -2.450673461e+00 -3.133066721e+00 -3.368316561e+00 3.06 -2.404902030e+00 -3.080062623e+00 -3.328973344e+00 3.08 -2.359223742e+00 -3.026075813e+00 -3.287953715e+00 3.10 -2.313538846e+00 -2.971508430e+00 -3.245630488e+00 3.12 -2.267749028e+00 -2.916736569e+00 -3.202286870e+00 3.14 -2.221862098e+00 -2.862126592e+00 -3.158102097e+00 3.16 -2.175950486e+00 -2.808024364e+00 -3.113153898e+00 3.18 -2.129931246e+00 -2.754750541e+00 -3.067436011e+00 3.20 -2.083540132e+00 -2.702646268e+00 -3.020979413e+00 3.22 -2.036581575e+00 -2.651907229e+00 -2.973886183e+00 3.24 -1.988901990e+00 -2.602533208e+00 -2.926174960e+00 3.26 -1.940367856e+00 -2.554459394e+00 -2.877863305e+00 3.28 -1.890872650e+00 -2.507588275e+00 -2.829002191e+00 3.30 -1.840373010e+00 -2.461797999e+00 -2.779666632e+00 3.32 -1.788884963e+00 -2.416956760e+00 -2.729943429e+00 3.34 -1.736468671e+00 -2.372935817e+00 -2.679954959e+00 3.36 -1.683210028e+00 -2.329597197e+00 -2.629851614e+00 3.38 -1.629125672e+00 -2.286820884e+00 -2.579779934e+00 3.40 -1.574205745e+00 -2.244529617e+00 -2.529877009e+00 3.42 -1.518470186e+00 -2.202693658e+00 -2.480263664e+00 3.44 -1.461968390e+00 -2.161247602e+00 -2.431046351e+00 3.46 -1.404782463e+00 -2.120006503e+00 -2.382317680e+00 3.48 -1.347042015e+00 -2.078779636e+00 -2.334145987e+00 3.50 -1.288880621e+00 -2.037387460e+00 -2.286571849e+00 3.52 -1.230343831e+00 -1.995663947e+00 -2.239630544e+00 3.54 -1.171495785e+00 -1.953483814e+00 -2.193382513e+00 3.56 -1.112418729e+00 -1.910750162e+00 -2.147896082e+00 3.58 -1.053204252e+00 -1.867409563e+00 -2.103238598e+00 3.60 -9.939542848e-01 -1.823438950e+00 -2.059429166e+00 3.62 -9.347818044e-01 -1.778764071e+00 -2.016465809e+00 3.64 -8.758100231e-01 -1.733316842e+00 -1.974340645e+00 3.66 -8.171724403e-01 -1.687050083e+00 -1.933021623e+00 3.68 -7.590122765e-01 -1.639956235e+00 -1.892470543e+00 3.70 -7.014821881e-01 -1.592064062e+00 -1.852628268e+00 3.72 -6.447423029e-01 -1.543393154e+00 -1.813377807e+00 3.74 -5.889553985e-01 -1.493930153e+00 -1.774561117e+00 3.76 -5.342983243e-01 -1.443667146e+00 -1.735966070e+00 3.78 -4.809921167e-01 -1.392605287e+00 -1.697310337e+00 3.80 -4.299609461e-01 -1.340753292e+00 -1.658295284e+00 3.82 -3.940546785e-01 -1.288126359e+00 -1.618614285e+00 3.84 -3.900975837e-01 -1.234745226e+00 -1.577959790e+00 3.86 -4.261433972e-01 -1.180636918e+00 -1.536034249e+00 3.88 -5.034313438e-01 -1.125846036e+00 -1.492564845e+00 3.90 -6.183861815e-01 -1.070432477e+00 -1.447321925e+00 3.92 -7.642680169e-01 -1.014465529e+00 -1.400131915e+00 3.94 -9.324954428e-01 -9.580239415e-01 -1.350886610e+00 3.96 -1.113692441e+00 -9.011970218e-01 -1.299537018e+00 3.98 -1.298486074e+00 -8.440842909e-01 -1.246086213e+00 4.00 -1.478102053e+00 -7.867952095e-01 -1.190582027e+00 4.02 -1.644774308e+00 -7.294495740e-01 -1.133110286e+00 4.04 -1.792013753e+00 -6.721792968e-01 -1.073792312e+00 4.06 -1.914754556e+00 -6.151260179e-01 -1.012777378e+00 4.08 -2.009403796e+00 -5.584515673e-01 -9.502394962e-01 4.10 -2.073834088e+00 -5.023464750e-01 -8.863779143e-01 4.12 -2.107487927e+00 -4.470107063e-01 -8.214212737e-01 4.14 -2.111054252e+00 -3.926924566e-01 -7.556436983e-01 4.16 -2.086216575e+00 -3.426353988e-01 -6.893584122e-01 4.18 -2.035459036e+00 -3.033324557e-01 -6.229095481e-01 4.20 -1.961867380e+00 -2.790058089e-01 -5.566742786e-01 4.22 -1.868942251e+00 -2.715600970e-01 -4.910829864e-01 4.24 -1.760415690e+00 -2.810019115e-01 -4.266100327e-01 4.26 -1.640085632e+00 -3.067638157e-01 -3.686362882e-01 4.28 -1.511629899e+00 -3.525027924e-01 -3.311734376e-01 4.30 -1.378510408e+00 -4.214231789e-01 -3.234388979e-01 4.32 -1.243926379e+00 -5.134606383e-01 -3.493489365e-01 4.34 -1.110746976e+00 -6.261402647e-01 -4.088633072e-01 4.36 -9.814654278e-01 -7.551186763e-01 -4.999983171e-01 4.38 -8.581682087e-01 -8.946822510e-01 -6.229201703e-01 4.40 -7.425188011e-01 -1.038453030e+00 -7.756840236e-01 4.42 -6.357654545e-01 -1.179896461e+00 -9.535469906e-01 4.44 -5.387515388e-01 -1.312740590e+00 -1.150026731e+00 4.46 -4.519410945e-01 -1.431332470e+00 -1.357753669e+00 4.48 -3.754377411e-01 -1.530914411e+00 -1.569128812e+00 4.50 -3.087539822e-01 -1.607838640e+00 -1.776830030e+00 4.52 -2.509378154e-01 -1.659739998e+00 -1.974175891e+00 4.54 -2.010496416e-01 -1.685853009e+00 -2.155360271e+00 4.56 -1.581876344e-01 -1.686867264e+00 -2.315519307e+00 4.58 -1.214905001e-01 -1.664651158e+00 -2.450841450e+00 4.60 -9.015432885e-02 -1.622013774e+00 -2.558595513e+00 4.62 -6.345279621e-02 -1.562419962e+00 -2.637110778e+00 4.64 -4.075553197e-02 -1.489667434e+00 -2.685712549e+00 4.66 -2.154146760e-02 -1.407564615e+00 -2.704631157e+00 4.68 -5.415697041e-03 -1.319638316e+00 -2.694892388e+00 4.70 7.899857478e-03 -1.228917094e+00 -2.658205480e+00 4.72 1.862109529e-02 -1.137808956e+00 -2.596853427e+00 4.74 2.694345262e-02 -1.048053537e+00 -2.513546401e+00 4.76 3.306990417e-02 -9.607672500e-01 -2.411290938e+00 4.78 3.722213489e-02 -8.765518730e-01 -2.293256966e+00 4.80 3.966396715e-02 -7.956500217e-01 -2.162674674e+00 4.82 4.069843362e-02 -7.181035409e-01 -2.022742115e+00 4.84 4.064937660e-02 -6.438804579e-01 -1.876543214e+00 4.86 3.983691212e-02 -5.729674949e-01 -1.726977953e+00 4.88 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