# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr1 # composition = Cr3Cu # 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 nan nan nan 0.92 nan nan nan 0.94 -3.727139628e+02 nan nan 0.96 -3.479033718e+02 nan nan 0.98 -3.255191941e+02 nan nan 1.00 -3.051732052e+02 nan nan 1.02 -2.866931669e+02 nan nan 1.04 -2.699863465e+02 -3.585107619e+02 nan 1.06 -2.546567342e+02 -3.378184148e+02 -3.700011466e+02 1.08 -2.401063383e+02 -3.185681914e+02 -3.488058833e+02 1.10 -2.258012705e+02 -3.005794631e+02 -3.282874845e+02 1.12 -2.118597018e+02 -2.833089130e+02 -3.088101625e+02 1.14 -1.985705081e+02 -2.666174978e+02 -2.907335279e+02 1.16 -1.864878546e+02 -2.508075188e+02 -2.741951428e+02 1.18 -1.756687950e+02 -2.360821316e+02 -2.590816315e+02 1.20 -1.660313270e+02 -2.229775729e+02 -2.454074670e+02 1.22 -1.569878343e+02 -2.115078621e+02 -2.331940934e+02 1.24 -1.480957096e+02 -2.010092023e+02 -2.218807371e+02 1.26 -1.390779932e+02 -1.908941263e+02 -2.110874258e+02 1.28 -1.300091261e+02 -1.813614198e+02 -2.004689930e+02 1.30 -1.211010079e+02 -1.721643649e+02 -1.900212295e+02 1.32 -1.124067662e+02 -1.631873740e+02 -1.799413460e+02 1.34 -1.037520880e+02 -1.542505627e+02 -1.701513231e+02 1.36 -9.532891228e+01 -1.455763634e+02 -1.608396864e+02 1.38 -8.726480682e+01 -1.372988585e+02 -1.520819624e+02 1.40 -7.936163336e+01 -1.296362785e+02 -1.437489255e+02 1.42 -7.163592311e+01 -1.222592253e+02 -1.357813645e+02 1.44 -6.419253932e+01 -1.149047698e+02 -1.281522722e+02 1.46 -5.729373512e+01 -1.075786893e+02 -1.210097227e+02 1.48 -5.073583085e+01 -1.001674832e+02 -1.142376070e+02 1.50 -4.443289078e+01 -9.281274009e+01 -1.076048326e+02 1.52 -3.832677275e+01 -8.560953831e+01 -1.007847513e+02 1.54 -3.256218029e+01 -7.856435571e+01 -9.362549956e+01 1.56 -2.725561396e+01 -7.158610369e+01 -8.636308507e+01 1.58 -2.244895742e+01 -6.454136262e+01 -7.909640958e+01 1.60 -1.802614151e+01 -5.728999566e+01 -7.199671215e+01 1.62 -1.378359935e+01 -4.983648506e+01 -6.510266193e+01 1.64 -9.565273036e+00 -4.243491307e+01 -5.839840590e+01 1.66 -6.138524434e+00 -3.542409063e+01 -5.186778750e+01 1.68 -3.721267933e+00 -2.887693944e+01 -4.571514689e+01 1.70 -2.201061265e+00 -2.286958672e+01 -3.974998591e+01 1.72 -1.358121360e+00 -1.742332660e+01 -3.405061111e+01 1.74 -9.729945720e-01 -1.260770267e+01 -2.865559760e+01 1.76 -8.727025027e-01 -8.563870222e+00 -2.353911985e+01 1.78 -9.354595939e-01 -5.640264966e+00 -1.873991212e+01 1.80 -1.100294213e+00 -3.686304932e+00 -1.423988333e+01 1.82 -1.308213438e+00 -2.383015055e+00 -1.007098923e+01 1.84 -1.531513209e+00 -1.535944123e+00 -6.671827977e+00 1.86 -1.757531187e+00 -1.022521117e+00 -4.236540251e+00 1.88 -1.979289692e+00 -7.615247420e-01 -2.609882469e+00 1.90 -2.194402105e+00 -6.810160830e-01 -1.599988609e+00 1.92 -2.403868204e+00 -7.200186119e-01 -1.000671860e+00 1.94 -2.606709019e+00 -8.365859185e-01 -6.860504477e-01 1.96 -2.790047155e+00 -1.006307414e+00 -5.671865623e-01 1.98 -2.961388316e+00 -1.214201613e+00 -5.855610670e-01 2.00 -3.109003350e+00 -1.450053985e+00 -7.006109851e-01 2.02 -3.231986279e+00 -1.704337360e+00 -8.789857996e-01 2.04 -3.333240071e+00 -1.968769561e+00 -1.094216566e+00 2.06 -3.418512811e+00 -2.236269852e+00 -1.326838429e+00 2.08 -3.494593291e+00 -2.499268394e+00 -1.564694904e+00 2.10 -3.565837673e+00 -2.749758908e+00 -1.801603429e+00 2.12 -3.633876610e+00 -2.980463775e+00 -2.034627380e+00 2.14 -3.695467162e+00 -3.180210552e+00 -2.259807535e+00 2.16 -3.753971843e+00 -3.351926465e+00 -2.474765525e+00 2.18 -3.806791586e+00 -3.490717692e+00 -2.677272715e+00 2.20 -3.848041823e+00 -3.595521857e+00 -2.866118985e+00 2.22 -3.882383282e+00 -3.668841153e+00 -3.039388744e+00 2.24 -3.907092365e+00 -3.719599101e+00 -3.198306973e+00 2.26 -3.922174118e+00 -3.758009552e+00 -3.344938238e+00 2.28 -3.928131141e+00 -3.792088677e+00 -3.474810956e+00 2.30 -3.925697268e+00 -3.825468010e+00 -3.592282384e+00 2.32 -3.915504252e+00 -3.857950452e+00 -3.694656714e+00 2.34 -3.898011106e+00 -3.883556554e+00 -3.781581815e+00 2.36 -3.873530230e+00 -3.908824641e+00 -3.853188837e+00 2.38 -3.842249632e+00 -3.930746114e+00 -3.910144254e+00 2.40 -3.804398855e+00 -3.942303960e+00 -3.953543394e+00 2.42 -3.760262859e+00 -3.949980069e+00 -3.984774481e+00 2.44 -3.710391572e+00 -3.950449577e+00 -4.005901998e+00 2.46 -3.655590602e+00 -3.944916290e+00 -4.017952588e+00 2.48 -3.596757092e+00 -3.934729177e+00 -4.025286056e+00 2.50 -3.534908170e+00 -3.921134212e+00 -4.028677598e+00 2.52 -3.470898713e+00 -3.904398455e+00 -4.028152433e+00 2.54 -3.405296217e+00 -3.884256348e+00 -4.022457253e+00 2.56 -3.336756391e+00 -3.860620909e+00 -4.010553844e+00 2.58 -3.267773150e+00 -3.833530052e+00 -3.992647428e+00 2.60 -3.197762933e+00 -3.802426113e+00 -3.969302159e+00 2.62 -3.128729040e+00 -3.768802430e+00 -3.941164466e+00 2.64 -3.059243794e+00 -3.732661849e+00 -3.908992307e+00 2.66 -2.989870885e+00 -3.694410078e+00 -3.873626844e+00 2.68 -2.919931356e+00 -3.654258753e+00 -3.835900804e+00 2.70 -2.845801179e+00 -3.612297984e+00 -3.791622771e+00 2.72 -2.771077876e+00 -3.568574308e+00 -3.748227528e+00 2.74 -2.693846967e+00 -3.523080894e+00 -3.703462499e+00 2.76 -2.613910498e+00 -3.475765569e+00 -3.657559579e+00 2.78 -2.531242823e+00 -3.426632894e+00 -3.610411165e+00 2.80 -2.446251083e+00 -3.375754444e+00 -3.561921725e+00 2.82 -2.359773919e+00 -3.323162137e+00 -3.512064768e+00 2.84 -2.273138469e+00 -3.268817921e+00 -3.460860016e+00 2.86 -2.188010112e+00 -3.212668900e+00 -3.408410039e+00 2.88 -2.105715849e+00 -3.154710737e+00 -3.354895265e+00 2.90 -2.027106923e+00 -3.094979078e+00 -3.300555053e+00 2.92 -1.952543516e+00 -3.033415770e+00 -3.245671155e+00 2.94 -1.881945766e+00 -2.969717667e+00 -3.190554722e+00 2.96 -1.814872860e+00 -2.903409514e+00 -3.135534915e+00 2.98 -1.750731553e+00 -2.834211892e+00 -3.080853204e+00 3.00 -1.689007096e+00 -2.761844748e+00 -3.025747819e+00 3.02 -1.629076257e+00 -2.686374277e+00 -2.970007073e+00 3.04 -1.570265553e+00 -2.608595672e+00 -2.915105940e+00 3.06 -1.512424472e+00 -2.528761501e+00 -2.860134101e+00 3.08 -1.455534461e+00 -2.447530889e+00 -2.804513172e+00 3.10 -1.399694652e+00 -2.365494319e+00 -2.747266979e+00 3.12 -1.345039385e+00 -2.283247549e+00 -2.687241894e+00 3.14 -1.291686162e+00 -2.202040165e+00 -2.623217287e+00 3.16 -1.239760070e+00 -2.122632645e+00 -2.554079504e+00 3.18 -1.189473953e+00 -2.045994815e+00 -2.479041797e+00 3.20 -1.141089102e+00 -1.972696295e+00 -2.397763792e+00 3.22 -1.089555782e+00 -1.902931675e+00 -2.310609363e+00 3.24 -1.042611912e+00 -1.836587362e+00 -2.218948704e+00 3.26 -9.973188140e-01 -1.773277953e+00 -2.124597712e+00 3.28 -9.537078856e-01 -1.712400871e+00 -2.029303370e+00 3.30 -9.116991027e-01 -1.653221335e+00 -1.934544511e+00 3.32 -8.710986179e-01 -1.594983193e+00 -1.841454647e+00 3.34 -8.350744643e-01 -1.537028841e+00 -1.750833878e+00 3.36 -7.983579339e-01 -1.478942939e+00 -1.663219247e+00 3.38 -7.626673631e-01 -1.420606160e+00 -1.578968290e+00 3.40 -7.276970943e-01 -1.362162432e+00 -1.498297842e+00 3.42 -6.931356608e-01 -1.303992699e+00 -1.421343673e+00 3.44 -6.586987171e-01 -1.246569430e+00 -1.348184631e+00 3.46 -6.241846410e-01 -1.190351278e+00 -1.278854180e+00 3.48 -5.938225173e-01 -1.135712843e+00 -1.215407713e+00 3.50 -5.612665140e-01 -1.082906462e+00 -1.154812712e+00 3.52 -5.291343207e-01 -1.032055680e+00 -1.098291219e+00 3.54 -4.974522036e-01 -9.831711143e-01 -1.045805543e+00 3.56 -4.662456321e-01 -9.361816160e-01 -9.972980160e-01 3.58 -4.355393062e-01 -8.909724142e-01 -9.526918798e-01 3.60 -4.053568508e-01 -8.474118935e-01 -9.118905990e-01 3.62 -3.757210808e-01 -8.053583315e-01 -8.747757265e-01 3.64 -3.466522742e-01 -7.646658850e-01 -8.411973041e-01 3.66 -3.181646652e-01 -7.252134250e-01 -8.109551433e-01 3.68 -2.902704195e-01 -6.885857507e-01 -7.838066327e-01 3.70 -2.629801644e-01 -6.522857783e-01 -7.594595244e-01 3.72 -2.362968792e-01 -6.172294180e-01 -7.375561357e-01 3.74 -2.102186927e-01 -5.833505095e-01 -7.176808882e-01 3.76 -1.849173993e-01 -5.505812796e-01 -6.993662440e-01 3.78 -1.607714888e-01 -5.188525629e-01 -6.821045302e-01 3.80 -1.380982985e-01 -4.880940369e-01 -6.653699593e-01 3.82 -1.171344657e-01 -4.582344973e-01 -6.486501223e-01 3.84 -9.804175576e-02 -4.292021249e-01 -6.314826286e-01 3.86 -8.091415454e-02 -4.009315240e-01 -6.134991951e-01 3.88 -6.562868880e-02 -3.734160677e-01 -5.945296225e-01 3.90 -5.144905992e-02 -3.466783807e-01 -5.745610460e-01 3.92 -3.757219717e-02 -3.207392424e-01 -5.536811227e-01 3.94 -2.330219066e-02 -2.956110163e-01 -5.320643834e-01 3.96 -8.062326321e-03 -2.712926564e-01 -5.099215504e-01 3.98 8.600710721e-03 -2.477804606e-01 -4.874606382e-01 4.00 2.701426041e-02 -2.248434812e-01 -4.648613000e-01 4.02 4.737860675e-02 -2.012329582e-01 -4.422599408e-01 4.04 6.976822879e-02 -1.757614712e-01 -4.197445147e-01 4.06 9.413528301e-02 -1.475369539e-01 -3.973572281e-01 4.08 1.203232558e-01 -1.159330429e-01 -3.751015634e-01 4.10 1.480837768e-01 -8.058662408e-02 -3.529531982e-01 4.12 1.770925594e-01 -4.139082146e-02 -3.308711100e-01 4.14 2.069634445e-01 1.527816382e-03 -3.088084654e-01 4.16 2.372672642e-01 4.783178668e-02 -2.867164873e-01 4.18 2.675483555e-01 9.697216104e-02 -2.645470409e-01 4.20 2.973434543e-01 1.482015742e-01 -2.424025321e-01 4.22 3.261945913e-01 2.005689399e-01 -2.206187237e-01 4.24 3.536764592e-01 2.529762939e-01 -1.995576109e-01 4.26 3.794157426e-01 3.042271105e-01 -1.798353975e-01 4.28 4.030539154e-01 3.530655298e-01 -1.606266418e-01 4.30 4.242726593e-01 3.983110781e-01 -1.425190875e-01 4.32 4.428427451e-01 4.389998859e-01 -1.255813492e-01 4.34 4.586295402e-01 4.742337843e-01 -1.098425428e-01 4.36 4.715846628e-01 5.032065537e-01 -9.504598561e-02 4.38 4.817236991e-01 5.252556516e-01 -7.999595482e-02 4.40 4.890923005e-01 5.399174230e-01 -6.342433226e-02 4.42 4.937248548e-01 5.469761687e-01 -4.424108322e-02 4.44 4.956050096e-01 5.465086337e-01 -2.155158482e-02 4.46 4.946370829e-01 5.389154766e-01 5.330048884e-03 4.48 4.906406523e-01 5.249364362e-01 3.687120846e-02 4.50 4.833664646e-01 5.056390794e-01 7.331513305e-02 4.52 4.725370120e-01 4.823957659e-01 1.146796116e-01 4.54 4.578889336e-01 4.569359008e-01 1.607741201e-01 4.56 4.392678941e-01 4.311558544e-01 2.112720932e-01 4.58 4.166901871e-01 4.068415766e-01 2.657194360e-01 4.60 3.903836539e-01 3.855157830e-01 3.235444560e-01 4.62 3.608111633e-01 3.683292728e-01 3.840758998e-01 4.64 3.286615441e-01 3.559982507e-01 4.465620451e-01 4.66 2.948148317e-01 3.487964677e-01 5.101875564e-01 4.68 2.603261737e-01 3.466018172e-01 5.740900967e-01 4.70 2.263303049e-01 3.489816186e-01 6.373768875e-01 4.72 1.938560817e-01 3.552937930e-01 6.991406112e-01 4.74 1.637396241e-01 3.647784491e-01 7.584733816e-01 4.76 1.365676770e-01 3.766289894e-01 8.144829392e-01 4.78 1.126598282e-01 3.900483397e-01 8.663266824e-01 4.80 9.208473625e-02 4.042679398e-01 9.132263282e-01 4.82 7.470337203e-02 4.185376214e-01 9.544575449e-01 4.84 6.023429589e-02 4.321437235e-01 9.893615350e-01 4.86 4.832085162e-02 4.444227617e-01 1.017357296e+00 4.88 3.858574192e-02 4.547753075e-01 1.037951515e+00 4.90 3.259398486e-02 4.626821472e-01 1.050750433e+00 4.92 2.695551684e-02 4.677168827e-01 1.055469893e+00 4.94 2.269140675e-02 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