# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Miraz-A-S-M-Dhariwal-N-Meng-W-J-et-al--Cu-N-Ti # implementation = 2020--Miraz-A-S-M--Cu-N-Ti--LAMMPS--ipr1 # composition = Cu3N # 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 6.591183747e+02 nan nan 0.92 5.933327232e+02 nan nan 0.94 5.341808993e+02 nan nan 0.96 4.811740027e+02 nan nan 0.98 4.335270966e+02 6.691787583e+02 nan 1.00 3.901208825e+02 6.104011276e+02 nan 1.02 3.507506796e+02 5.551939400e+02 6.075423820e+02 1.04 3.152023561e+02 5.038350558e+02 5.553370947e+02 1.06 2.832197085e+02 4.564214949e+02 5.063564530e+02 1.08 2.545257178e+02 4.129214106e+02 4.607948944e+02 1.10 2.288375490e+02 3.732137093e+02 4.187074035e+02 1.12 2.058768514e+02 3.371179965e+02 3.800490789e+02 1.14 1.853765893e+02 3.044170229e+02 3.447055096e+02 1.16 1.670853210e+02 2.748733316e+02 3.125159496e+02 1.18 1.507696231e+02 2.482414104e+02 2.832908173e+02 1.20 1.362151899e+02 2.243872786e+02 2.568247803e+02 1.22 1.232270035e+02 2.055876896e+02 2.329063956e+02 1.24 1.119463830e+02 1.898283659e+02 2.113250786e+02 1.26 1.074907183e+02 1.749947526e+02 1.918760152e+02 1.28 1.058162189e+02 1.604029247e+02 1.743634944e+02 1.30 1.029820658e+02 1.460383658e+02 1.586030464e+02 1.32 9.783124429e+01 1.321356182e+02 1.444226782e+02 1.34 9.054136498e+01 1.189642793e+02 1.316634401e+02 1.36 8.180356434e+01 1.067351344e+02 1.201795081e+02 1.38 7.239185486e+01 9.556753305e+01 1.098311208e+02 1.40 6.296496355e+01 8.776566801e+01 1.038916398e+02 1.42 5.399922871e+01 8.333107513e+01 1.022886742e+02 1.44 4.578941931e+01 7.950759366e+01 1.008893850e+02 1.46 3.847975906e+01 7.511394179e+01 9.797036668e+01 1.48 3.210389138e+01 6.984261182e+01 9.314311463e+01 1.50 2.662284479e+01 6.381770253e+01 8.667446849e+01 1.52 2.195626264e+01 5.733479122e+01 7.908586392e+01 1.54 1.800566943e+01 5.071779506e+01 7.093256276e+01 1.56 1.467034590e+01 4.424865313e+01 6.269542766e+01 1.58 1.185714474e+01 3.813923087e+01 5.473973788e+01 1.60 9.485743593e+00 3.252669516e+01 4.731148371e+01 1.62 7.490101873e+00 2.748255209e+01 4.055227592e+01 1.64 5.815035916e+00 2.302688599e+01 3.452151813e+01 1.66 4.413222159e+00 1.914320135e+01 2.921937502e+01 1.68 3.244049927e+00 1.579163215e+01 2.460719792e+01 1.70 2.272603720e+00 1.291962775e+01 2.062408303e+01 1.72 1.468852554e+00 1.046994922e+01 1.719932418e+01 1.74 8.070034917e-01 8.386226647e+00 1.426114495e+01 1.76 2.649384639e-01 6.616497989e+00 1.174234946e+01 1.78 -1.762775163e-01 5.115175056e+00 9.583581741e+00 1.80 -5.328253998e-01 3.843788046e+00 7.734763212e+00 1.82 -8.185062104e-01 2.770073747e+00 6.153959034e+00 1.84 -1.045066832e+00 1.866181749e+00 4.804852770e+00 1.86 -1.222483525e+00 1.107955726e+00 3.655810325e+00 1.88 -1.359208436e+00 4.744706177e-01 2.679308665e+00 1.90 -1.462383687e+00 -5.237395649e-02 1.851432252e+00 1.92 -1.538027152e+00 -4.882116199e-01 1.151428031e+00 1.94 -1.591193505e+00 -8.465238871e-01 5.613127507e-01 1.96 -1.626113661e+00 -1.138916144e+00 6.552739340e-02 1.98 -1.646315405e+00 -1.375360273e+00 -3.493678560e-01 2.00 -1.654727612e+00 -1.564407345e+00 -6.949619542e-01 2.02 -1.653770175e+00 -1.713373939e+00 -9.812289298e-01 2.04 -1.645431830e+00 -1.828506420e+00 -1.216736918e+00 2.06 -1.631344218e+00 -1.915143468e+00 -1.408859924e+00 2.08 -1.612850356e+00 -1.977870825e+00 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-1.641476339e+00 -1.815170296e+00 2.46 -1.141742320e+00 -1.606607448e+00 -1.787432411e+00 2.48 -1.122316361e+00 -1.572508061e+00 -1.759500752e+00 2.50 -1.103576273e+00 -1.539243618e+00 -1.731542918e+00 2.52 -1.085506832e+00 -1.506858028e+00 -1.703689999e+00 2.54 -1.068094107e+00 -1.475377784e+00 -1.676042656e+00 2.56 -1.051325861e+00 -1.444815448e+00 -1.648676335e+00 2.58 -1.035191799e+00 -1.415173084e+00 -1.621645725e+00 2.60 -1.019683673e+00 -1.386447788e+00 -1.594988559e+00 2.62 -1.004795288e+00 -1.358619540e+00 -1.568728851e+00 2.64 -9.905223946e-01 -1.331668865e+00 -1.542879633e+00 2.66 -9.768624920e-01 -1.305577678e+00 -1.517445263e+00 2.68 -9.638145323e-01 -1.280322307e+00 -1.492423377e+00 2.70 -9.513785325e-01 -1.255877844e+00 -1.467806503e+00 2.72 -9.395550845e-01 -1.232218900e+00 -1.443583416e+00 2.74 -9.283900789e-01 -1.209320202e+00 -1.419740253e+00 2.76 -9.182340044e-01 -1.187157060e+00 -1.396261426e+00 2.78 -9.086064685e-01 -1.165705723e+00 -1.373130361e+00 2.80 -8.991863297e-01 -1.144943639e+00 -1.350330101e+00 2.82 -8.903668263e-01 -1.124849638e+00 -1.327843768e+00 2.84 -8.821349541e-01 -1.105404054e+00 -1.305655527e+00 2.86 -8.744716382e-01 -1.086588784e+00 -1.283782070e+00 2.88 -8.673505389e-01 -1.068387303e+00 -1.262281378e+00 2.90 -8.607369828e-01 -1.050784634e+00 -1.240916828e+00 2.92 -8.545871394e-01 -1.033767275e+00 -1.219762115e+00 2.94 -8.488475760e-01 -1.017323086e+00 -1.198837411e+00 2.96 -8.434553232e-01 -1.001441126e+00 -1.178132667e+00 2.98 -8.383385644e-01 -9.861114428e-01 -1.157639072e+00 3.00 -8.334180152e-01 -9.713248028e-01 -1.137349025e+00 3.02 -8.286089971e-01 -9.570723522e-01 -1.117256089e+00 3.04 -8.238241244e-01 -9.433452022e-01 -1.097354935e+00 3.06 -8.189764408e-01 -9.301339329e-01 -1.077641274e+00 3.08 -8.139827656e-01 -9.174280117e-01 -1.058111783e+00 3.10 -8.087669622e-01 -9.052151339e-01 -1.038764031e+00 3.12 -8.032628319e-01 -8.934805033e-01 -1.019596397e+00 3.14 -7.974163685e-01 -8.822060820e-01 -1.000607992e+00 3.16 -7.911871843e-01 -8.713698595e-01 -9.817985820e-01 3.18 -7.845490132e-01 -8.609452044e-01 -9.631685105e-01 3.20 -7.774893111e-01 -8.509003751e-01 -9.447186240e-01 3.22 -7.700080691e-01 -8.411982758e-01 -9.264502024e-01 3.24 -7.621160334e-01 -8.317965365e-01 -9.083648922e-01 3.26 -7.538325644e-01 -8.226479820e-01 -8.904646428e-01 3.28 -7.451833740e-01 -8.137015214e-01 -8.727516481e-01 3.30 -7.361983513e-01 -8.049034484e-01 -8.552282923e-01 3.32 -7.269096395e-01 -7.961990896e-01 -8.378970987e-01 3.34 -7.173500630e-01 -7.875346901e-01 -8.207606844e-01 3.36 -7.075519472e-01 -7.788593836e-01 -8.038217180e-01 3.38 -6.975463169e-01 -7.701270737e-01 -7.870828815e-01 3.40 -6.873624256e-01 -7.612980554e-01 -7.705468367e-01 3.42 -6.770275446e-01 -7.523402309e-01 -7.542161945e-01 3.44 -6.665669349e-01 -7.432298232e-01 -7.380934883e-01 3.46 -6.560039324e-01 -7.339515494e-01 -7.221811502e-01 3.48 -6.453600889e-01 -7.244982789e-01 -7.065035348e-01 3.50 -6.346553296e-01 -7.148702545e-01 -6.916028444e-01 3.52 -6.239081027e-01 -7.050739921e-01 -6.787436650e-01 3.54 -6.131355103e-01 -6.951209959e-01 -6.655642873e-01 3.56 -6.023534170e-01 -6.850264209e-01 -6.506505792e-01 3.58 -5.915765407e-01 -6.748077995e-01 -6.359589146e-01 3.60 -5.808185275e-01 -6.644839206e-01 -6.214906432e-01 3.62 -5.700920169e-01 -6.540739140e-01 -6.072469216e-01 3.64 -5.594086990e-01 -6.435965609e-01 -5.932287097e-01 3.66 -5.487793680e-01 -6.330698247e-01 -5.794367699e-01 3.68 -5.382139708e-01 -6.225105728e-01 -5.658716668e-01 3.70 -5.277216544e-01 -6.119344515e-01 -5.525337681e-01 3.72 -5.173108097e-01 -6.013558705e-01 -5.394232465e-01 3.74 -5.069891144e-01 -5.907880567e-01 -5.265400834e-01 3.76 -4.967635729e-01 -5.802431445e-01 -5.138840717e-01 3.78 -4.866405552e-01 -5.697322767e-01 -5.014548212e-01 3.80 -4.766258336e-01 -5.592657030e-01 -4.892517632e-01 3.82 -4.667246178e-01 -5.488528657e-01 -4.772741562e-01 3.84 -4.569415879e-01 -5.385024715e-01 -4.655210920e-01 3.86 -4.472809266e-01 -5.282225500e-01 -4.539915019e-01 3.88 -4.377463494e-01 -5.180205012e-01 -4.426841635e-01 3.90 -4.283411330e-01 -5.079031353e-01 -4.315977074e-01 3.92 -4.190681430e-01 -4.978767068e-01 -4.207306244e-01 3.94 -4.099298595e-01 -4.879469450e-01 -4.100812722e-01 3.96 -4.009284021e-01 -4.781190819e-01 -3.996478830e-01 3.98 -3.920655530e-01 -4.683978786e-01 -3.894285706e-01 4.00 -3.833427793e-01 -4.587876504e-01 -3.794213372e-01 4.02 -3.742426338e-01 -4.492922905e-01 -3.696240809e-01 4.04 -3.574245951e-01 -4.399152928e-01 -3.600346025e-01 4.06 -3.130714013e-01 -4.306597745e-01 -3.506506124e-01 4.08 -1.495355469e-01 -4.215284961e-01 -3.414697375e-01 4.10 -1.410382048e-01 -4.125238824e-01 -3.324895279e-01 4.12 -1.370151514e-01 -4.036480415e-01 -3.237074630e-01 4.14 -1.330987644e-01 -3.949027830e-01 -3.151209583e-01 4.16 -1.292868110e-01 -3.862896361e-01 -3.067273710e-01 4.18 -1.255770573e-01 -3.778098663e-01 -2.985240064e-01 4.20 -1.219672730e-01 -3.694644911e-01 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