# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Kim-Y-K-Jung-W-S-Lee-B-J--Ni-Al-Co # implementation = 2015--Kim-Y-K--Ni-Al-Co--LAMMPS--ipr1 # composition = CoNi3 # 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 3.991920069e+02 nan nan 0.86 3.703073937e+02 nan nan 0.88 3.433835082e+02 nan nan 0.90 3.182920232e+02 nan nan 0.92 2.949128069e+02 3.688504151e+02 nan 0.94 2.731334078e+02 3.440438862e+02 4.038074053e+02 0.96 2.528485723e+02 3.207977288e+02 3.775759974e+02 0.98 2.339597915e+02 2.990174885e+02 3.529027057e+02 1.00 2.163748773e+02 2.786142727e+02 3.297039116e+02 1.02 2.000075640e+02 2.595044302e+02 3.078997639e+02 1.04 1.847771355e+02 2.416092499e+02 2.874140407e+02 1.06 1.706080747e+02 2.248546748e+02 2.681740254e+02 1.08 1.574297361e+02 2.091710340e+02 2.501103923e+02 1.10 1.451760371e+02 1.944927887e+02 2.331570984e+02 1.12 1.337851706e+02 1.807582926e+02 2.172512796e+02 1.14 1.231993333e+02 1.679095667e+02 2.023331483e+02 1.16 1.133644730e+02 1.558920861e+02 1.883458918e+02 1.18 1.042300502e+02 1.446545792e+02 1.752355712e+02 1.20 9.574881513e+01 1.341488384e+02 1.629510193e+02 1.22 8.787659889e+01 1.243295416e+02 1.514437378e+02 1.24 8.057211737e+01 1.151540833e+02 1.406677947e+02 1.26 7.379678744e+01 1.065824167e+02 1.305797210e+02 1.28 6.751455477e+01 9.857690315e+01 1.211384081e+02 1.30 6.169173234e+01 9.110217141e+01 1.123050054e+02 1.32 5.629684910e+01 8.412498459e+01 1.040428191e+02 1.34 5.130050809e+01 7.761411469e+01 9.631721311e+01 1.36 4.667525352e+01 7.154022439e+01 8.909551063e+01 1.38 4.239544610e+01 6.587575562e+01 8.234689921e+01 1.40 3.843714636e+01 6.059482461e+01 7.604233757e+01 1.42 3.477800509e+01 5.567312294e+01 7.015446547e+01 1.44 3.139716093e+01 5.108782430e+01 6.465751654e+01 1.46 2.827514419e+01 4.681749666e+01 5.952723413e+01 1.48 2.539378689e+01 4.284201950e+01 5.474079056e+01 1.50 2.273613842e+01 3.914250590e+01 5.027670949e+01 1.52 2.028638651e+01 3.570122904e+01 4.611479172e+01 1.54 1.802978329e+01 3.250155309e+01 4.223604423e+01 1.56 1.595257593e+01 2.952786804e+01 3.862261260e+01 1.58 1.404194177e+01 2.676552833e+01 3.525771655e+01 1.60 1.228592748e+01 2.420079514e+01 3.212558879e+01 1.62 1.067339223e+01 2.182078193e+01 2.921141677e+01 1.64 9.193954309e+00 1.961340327e+01 2.650128767e+01 1.66 7.837941295e+00 1.756732659e+01 2.398213603e+01 1.68 6.596343324e+00 1.567192684e+01 2.164169435e+01 1.70 5.460769390e+00 1.391724372e+01 1.946844629e+01 1.72 4.423406421e+00 1.229394149e+01 1.745158242e+01 1.74 3.476981007e+00 1.079327114e+01 1.558095846e+01 1.76 2.614723555e+00 9.407034775e+00 1.384705583e+01 1.78 1.830334798e+00 8.127552095e+00 1.224094441e+01 1.80 1.117954414e+00 6.947628886e+00 1.075424747e+01 1.82 4.721317194e-01 5.860527359e+00 9.379108511e+00 1.84 -1.122017811e-01 4.859938252e+00 8.108160124e+00 1.86 -6.397580287e-01 3.939954588e+00 6.934494547e+00 1.88 -1.114916409e+00 3.095046998e+00 5.851635995e+00 1.90 -1.541746167e+00 2.320040516e+00 4.853514577e+00 1.92 -1.924027373e+00 1.610092749e+00 3.934441745e+00 1.94 -2.265270512e+00 9.606733600e-01 3.089087180e+00 1.96 -2.568734799e+00 3.675447843e-01 2.312457042e+00 1.98 -2.837445278e+00 -1.732559133e-01 1.599873500e+00 2.00 -3.074208816e+00 -6.654340780e-01 9.469554748e-01 2.02 -3.281629028e+00 -1.112453484e+00 3.496005241e-01 2.04 -3.462120225e+00 -1.517551393e+00 -1.960322009e-01 2.06 -3.617920440e+00 -1.883752695e+00 -6.935379807e-01 2.08 -3.751103586e+00 -2.213883199e+00 -1.146281599e+00 2.10 -3.863590809e+00 -2.510582122e+00 -1.557411513e+00 2.12 -3.957161091e+00 -2.776313816e+00 -1.929873180e+00 2.14 -4.033461132e+00 -3.013378782e+00 -2.266421582e+00 2.16 -4.094014588e+00 -3.223924017e+00 -2.569633000e+00 2.18 -4.140230675e+00 -3.409952725e+00 -2.841916084e+00 2.20 -4.173412207e+00 -3.573333444e+00 -3.085522252e+00 2.22 -4.194763087e+00 -3.715808603e+00 -3.302555470e+00 2.24 -4.205395291e+00 -3.839002562e+00 -3.494981434e+00 2.26 -4.206335385e+00 -3.944429157e+00 -3.664636204e+00 2.28 -4.198530598e+00 -4.033498779e+00 -3.813234317e+00 2.30 -4.182854477e+00 -4.107525017e+00 -3.942376396e+00 2.32 -4.160112168e+00 -4.167730891e+00 -4.053556318e+00 2.34 -4.131045326e+00 -4.215254702e+00 -4.148167930e+00 2.36 -4.096336693e+00 -4.251155511e+00 -4.227511363e+00 2.38 -4.056614363e+00 -4.276418288e+00 -4.292798964e+00 2.40 -4.012455750e+00 -4.291958734e+00 -4.345160860e+00 2.42 -3.964391285e+00 -4.298627802e+00 -4.385650189e+00 2.44 -3.912907857e+00 -4.297215940e+00 -4.415248007e+00 2.46 -3.858452012e+00 -4.288457061e+00 -4.434867893e+00 2.48 -3.801432938e+00 -4.273032273e+00 -4.445360276e+00 2.50 -3.742225226e+00 -4.251573363e+00 -4.447516493e+00 2.52 -3.681171459e+00 -4.224666073e+00 -4.442072599e+00 2.54 -3.618584597e+00 -4.192853160e+00 -4.429712939e+00 2.56 -3.554751072e+00 -4.156637264e+00 -4.411073501e+00 2.58 -3.489940936e+00 -4.116483602e+00 -4.386745062e+00 2.60 -3.424386936e+00 -4.072822477e+00 -4.357276142e+00 2.62 -3.358278896e+00 -4.026051634e+00 -4.323175765e+00 2.64 -3.291831008e+00 -3.976538473e+00 -4.284916055e+00 2.66 -3.225220166e+00 -3.924622101e+00 -4.242934675e+00 2.68 -3.158606288e+00 -3.870615272e+00 -4.197637099e+00 2.70 -3.092133645e+00 -3.814806189e+00 -4.149398755e+00 2.72 -3.025932089e+00 -3.757460197e+00 -4.098567027e+00 2.74 -2.960118199e+00 -3.698821360e+00 -4.045463133e+00 2.76 -2.894796340e+00 -3.639113940e+00 -3.990383881e+00 2.78 -2.830059643e+00 -3.578543777e+00 -3.933603321e+00 2.80 -2.765990921e+00 -3.517299586e+00 -3.875374283e+00 2.82 -2.702663504e+00 -3.455554156e+00 -3.815929827e+00 2.84 -2.640142028e+00 -3.393465484e+00 -3.755484592e+00 2.86 -2.578483154e+00 -3.331177822e+00 -3.694236062e+00 2.88 -2.517736236e+00 -3.268822665e+00 -3.632365754e+00 2.90 -2.457943946e+00 -3.206519667e+00 -3.570040324e+00 2.92 -2.399142839e+00 -3.144377500e+00 -3.507412604e+00 2.94 -2.341363891e+00 -3.082494652e+00 -3.444622575e+00 2.96 -2.284632980e+00 -3.020960174e+00 -3.381798271e+00 2.98 -2.228971346e+00 -2.959854378e+00 -3.319056626e+00 3.00 -2.174396001e+00 -2.899249485e+00 -3.256504271e+00 3.02 -2.120920119e+00 -2.839210229e+00 -3.194238270e+00 3.04 -2.068553393e+00 -2.779794423e+00 -3.132346813e+00 3.06 -2.017302356e+00 -2.721053487e+00 -3.070909862e+00 3.08 -1.967170690e+00 -2.663032933e+00 -3.009999751e+00 3.10 -1.918159499e+00 -2.605772824e+00 -2.949681753e+00 3.12 -1.870267570e+00 -2.549308200e+00 -2.890015208e+00 3.14 -1.823491604e+00 -2.493669471e+00 -2.831119815e+00 3.16 -1.777826435e+00 -2.438882784e+00 -2.773340421e+00 3.18 -1.733265229e+00 -2.384970370e+00 -2.716633701e+00 3.20 -1.689799665e+00 -2.331950855e+00 -2.660032600e+00 3.22 -1.647420105e+00 -2.279839563e+00 -2.604279868e+00 3.24 -1.606115744e+00 -2.228648785e+00 -2.549418392e+00 3.26 -1.565874755e+00 -2.178388037e+00 -2.495473123e+00 3.28 -1.526684412e+00 -2.129064297e+00 -2.442465560e+00 3.30 -1.488531212e+00 -2.080682222e+00 -2.390414026e+00 3.32 -1.451400979e+00 -2.033244355e+00 -2.339333922e+00 3.34 -1.415278961e+00 -1.986751313e+00 -2.289237963e+00 3.36 -1.380149922e+00 -1.941201963e+00 -2.240136394e+00 3.38 -1.345998218e+00 -1.896593580e+00 -2.192037193e+00 3.40 -1.312807870e+00 -1.852922004e+00 -2.144946255e+00 3.42 -1.280562633e+00 -1.810181773e+00 -2.098867566e+00 3.44 -1.249246050e+00 -1.768366256e+00 -2.053803356e+00 3.46 -1.218841508e+00 -1.727467767e+00 -2.009754248e+00 3.48 -1.189332284e+00 -1.687477681e+00 -1.966719387e+00 3.50 -1.160701584e+00 -1.648386529e+00 -1.924696559e+00 3.52 -1.132932585e+00 -1.610184093e+00 -1.883682304e+00 3.54 -1.106008463e+00 -1.572859497e+00 -1.843672013e+00 3.56 -1.079912420e+00 -1.536401277e+00 -1.804660016e+00 3.58 -1.054627712e+00 -1.500797464e+00 -1.766639664e+00 3.60 -1.030138285e+00 -1.466035642e+00 -1.729603396e+00 3.62 -1.006484571e+00 -1.432103015e+00 -1.693542808e+00 3.64 -9.807661906e-01 -1.398986464e+00 -1.658448700e+00 3.66 -9.382276737e-01 -1.366672592e+00 -1.624311126e+00 3.68 -9.258837539e-01 -1.335147779e+00 -1.591119434e+00 3.70 -9.088472174e-01 -1.304398223e+00 -1.558862298e+00 3.72 -8.924489254e-01 -1.274409975e+00 -1.527527741e+00 3.74 -8.766664590e-01 -1.245168982e+00 -1.497103160e+00 3.76 -8.614764612e-01 -1.216661112e+00 -1.467575333e+00 3.78 -8.468545889e-01 -1.188872192e+00 -1.438930433e+00 3.80 -8.327754716e-01 -1.161788028e+00 -1.411154028e+00 3.82 -8.192126818e-01 -1.135417405e+00 -1.384231079e+00 3.84 -8.061387202e-01 -1.111816446e+00 -1.358145934e+00 3.86 -7.935250200e-01 -1.100376181e+00 -1.332882319e+00 3.88 -7.813419745e-01 -1.107455612e+00 -1.308423323e+00 3.90 -7.695589926e-01 -1.104634666e+00 -1.284751384e+00 3.92 -7.581445874e-01 -1.082882982e+00 -1.261848268e+00 3.94 -7.470633224e-01 -1.061661027e+00 -1.239695052e+00 3.96 -7.335700973e-01 -1.040955337e+00 -1.218272101e+00 3.98 -6.950916184e-01 -1.020752527e+00 -1.197559052e+00 4.00 -5.661624742e-01 -1.001039300e+00 -1.177534793e+00 4.02 -3.573200051e-01 -9.818024645e-01 -1.158177446e+00 4.04 -3.274968032e-01 -9.630289393e-01 -1.139464359e+00 4.06 -3.204048792e-01 -9.447057654e-01 -1.121372098e+00 4.08 -3.134656012e-01 -9.268201155e-01 -1.103876444e+00 4.10 -3.066755814e-01 -9.093593030e-01 -1.086952405e+00 4.12 -3.000315140e-01 -8.923107910e-01 -1.070574232e+00 4.14 -2.935301732e-01 -8.756622015e-01 -1.054715450e+00 4.16 -2.871684111e-01 -8.594013240e-01 -1.039348901e+00 4.18 -2.809431558e-01 -8.435161241e-01 -1.024446800e+00 4.20 -2.748514093e-01 -8.279947528e-01 -1.009980816e+00 4.22 -2.688902455e-01 -8.128255547e-01 -9.959221615e-01 4.24 -2.630568085e-01 -7.979970773e-01 -9.822417087e-01 4.26 -2.573483107e-01 -7.834980798e-01 -9.689101241e-01 4.28 -2.517620308e-01 -7.693175421e-01 -9.558980260e-01 4.30 -2.462953121e-01 -7.554446737e-01 -9.431761623e-01 4.32 -2.409455610e-01 -7.418689228e-01 -9.307156100e-01 4.34 -2.357102448e-01 -7.285799854e-01 -9.184879934e-01 4.36 -2.305868906e-01 -7.155678141e-01 -9.064657184e-01 4.38 -2.255730832e-01 -7.028226273e-01 -8.946222192e-01 4.40 -2.206664640e-01 -6.903349175e-01 -8.829322122e-01 4.42 -2.154046583e-01 -6.772823837e-01 -8.711292270e-01 4.44 -2.039697676e-01 -6.529663843e-01 -8.551101256e-01 4.46 -1.710410727e-01 -5.818913167e-01 -8.054350003e-01 4.48 -9.532373165e-02 -3.719341697e-01 -5.713790429e-01 4.50 -1.383649431e-22 -5.171853998e-22 -4.599320862e-22 4.52 0.000000000e+00 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