# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = AgFe3 # 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 2024-04-11 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 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 2.573426119e+02 nan nan 1.16 2.332780966e+02 nan nan 1.18 2.114360884e+02 nan nan 1.20 1.915986273e+02 nan nan 1.22 1.735718916e+02 nan nan 1.24 1.571845632e+02 nan nan 1.26 1.422856092e+02 nan nan 1.28 1.287408383e+02 2.162396063e+02 2.538497451e+02 1.30 1.164292396e+02 1.974952826e+02 2.324068087e+02 1.32 1.052403965e+02 1.803331990e+02 2.127477244e+02 1.34 9.507304531e+01 1.646080044e+02 1.947203520e+02 1.36 8.583413550e+01 1.501917595e+02 1.781868358e+02 1.38 7.743810374e+01 1.369723365e+02 1.630213710e+02 1.40 6.980645786e+01 1.248505427e+02 1.491088518e+02 1.42 6.286764661e+01 1.137372140e+02 1.363439022e+02 1.44 5.655692954e+01 1.035511042e+02 1.246298576e+02 1.46 5.081603765e+01 9.421767760e+01 1.138776594e+02 1.48 4.559261578e+01 8.566850773e+01 1.040050697e+02 1.50 4.084043058e+01 7.784085626e+01 9.493653007e+01 1.52 3.651967550e+01 7.067709094e+01 8.660344020e+01 1.54 3.259345652e+01 6.412392369e+01 7.894428929e+01 1.56 2.902880026e+01 5.813172371e+01 7.190425582e+01 1.58 2.579578123e+01 5.265410980e+01 6.543429610e+01 1.60 2.286666748e+01 4.764778114e+01 5.949002788e+01 1.62 2.021536544e+01 4.307222652e+01 5.403073406e+01 1.64 1.781720712e+01 3.889068697e+01 4.901865678e+01 1.66 1.564897998e+01 3.506984278e+01 4.441850794e+01 1.68 1.368904274e+01 3.157748531e+01 4.019755283e+01 1.70 1.191738618e+01 2.838394855e+01 3.632695822e+01 1.72 1.031558039e+01 2.546217878e+01 3.277897210e+01 1.74 8.866660419e+00 2.278779398e+01 2.952802699e+01 1.76 7.555056966e+00 2.033907575e+01 2.655070642e+01 1.78 6.366630624e+00 1.809684599e+01 2.382546491e+01 1.80 5.288766186e+00 1.604421794e+01 2.133233807e+01 1.82 4.310421181e+00 1.416625231e+01 1.905266743e+01 1.84 3.422052223e+00 1.244957702e+01 1.696885386e+01 1.86 2.615428955e+00 1.088203012e+01 1.506417206e+01 1.88 1.883406639e+00 9.452362774e+00 1.332269975e+01 1.90 1.219720239e+00 8.150011583e+00 1.172940225e+01 1.92 6.188160491e-01 6.964933593e+00 1.027035481e+01 1.94 7.570834347e-02 5.887498816e+00 8.933008673e+00 1.96 -4.141456888e-01 4.908442452e+00 7.706371358e+00 1.98 -8.549455535e-01 4.018880705e+00 6.581012902e+00 2.00 -1.250614043e+00 3.210385725e+00 5.548897098e+00 2.02 -1.604832911e+00 2.475101034e+00 4.603106636e+00 2.04 -1.921057468e+00 1.805864721e+00 3.737549289e+00 2.06 -2.202521205e+00 1.196300992e+00 2.946709215e+00 2.08 -2.452238690e+00 6.408487082e-01 2.225470920e+00 2.10 -2.673011070e+00 1.347175509e-01 1.569013339e+00 2.12 -2.867435157e+00 -3.262132821e-01 9.727555327e-01 2.14 -3.037914320e+00 -7.455244531e-01 4.323321877e-01 2.16 -3.186667453e+00 -1.126383972e+00 -5.641845280e-02 2.18 -3.315731912e+00 -1.471652163e+00 -4.974646086e-01 2.20 -3.426958722e+00 -1.783956022e+00 -8.945925147e-01 2.22 -3.522003270e+00 -2.065735178e+00 -1.251417792e+00 2.24 -3.602319162e+00 -2.319267026e+00 -1.571392230e+00 2.26 -3.669163156e+00 -2.546679298e+00 -1.857802190e+00 2.28 -3.723626503e+00 -2.749956333e+00 -2.113758198e+00 2.30 -3.766636290e+00 -2.930942832e+00 -2.342178840e+00 2.32 -3.798994112e+00 -3.091347183e+00 -2.545773350e+00 2.34 -3.821433638e+00 -3.232745489e+00 -2.727026306e+00 2.36 -3.834644127e+00 -3.356587006e+00 -2.888186806e+00 2.38 -3.839286115e+00 -3.464201390e+00 -3.031264400e+00 2.40 -3.836097198e+00 -3.556807970e+00 -3.158034227e+00 2.42 -3.825303000e+00 -3.635527037e+00 -3.270052629e+00 2.44 -3.806514694e+00 -3.701392916e+00 -3.368682023e+00 2.46 -3.779497214e+00 -3.755368337e+00 -3.455121231e+00 2.48 -3.744161480e+00 -3.798369141e+00 -3.530436092e+00 2.50 -3.700528092e+00 -3.831249258e+00 -3.595585681e+00 2.52 -3.648707376e+00 -3.854817143e+00 -3.651441318e+00 2.54 -3.588902315e+00 -3.869859255e+00 -3.698807896e+00 2.56 -3.521396003e+00 -3.877140302e+00 -3.738408493e+00 2.58 -3.446557062e+00 -3.877399737e+00 -3.770885596e+00 2.60 -3.364857893e+00 -3.871348725e+00 -3.796823738e+00 2.62 -3.276892386e+00 -3.859644864e+00 -3.816749386e+00 2.64 -3.183386212e+00 -3.842245064e+00 -3.831131622e+00 2.66 -3.085193316e+00 -3.818943383e+00 -3.840383311e+00 2.68 -2.983274618e+00 -3.789640136e+00 -3.844891909e+00 2.70 -2.878658899e+00 -3.754316725e+00 -3.844757786e+00 2.72 -2.772390308e+00 -3.713019261e+00 -3.839600656e+00 2.74 -2.665470665e+00 -3.665857392e+00 -3.829111057e+00 2.76 -2.558806311e+00 -3.613017616e+00 -3.813065004e+00 2.78 -2.453168344e+00 -3.554750604e+00 -3.791308502e+00 2.80 -2.349171972e+00 -3.491371585e+00 -3.763748499e+00 2.82 -2.247276558e+00 -3.423261488e+00 -3.730349981e+00 2.84 -2.147803864e+00 -3.350861422e+00 -3.691144065e+00 2.86 -2.050968740e+00 -3.274659479e+00 -3.646221308e+00 2.88 -1.956914701e+00 -3.195170666e+00 -3.595723634e+00 2.90 -1.865746680e+00 -3.112912523e+00 -3.539839574e+00 2.92 -1.777554940e+00 -3.028380113e+00 -3.478795158e+00 2.94 -1.692427075e+00 -2.942024246e+00 -3.412841218e+00 2.96 -1.610448329e+00 -2.854236042e+00 -3.342239171e+00 2.98 -1.531693274e+00 -2.765339446e+00 -3.267247915e+00 3.00 -1.456213304e+00 -2.675591674e+00 -3.188114045e+00 3.02 -1.384024513e+00 -2.585190214e+00 -3.105066801e+00 3.04 -1.315099511e+00 -2.494284272e+00 -3.018318097e+00 3.06 -1.249365123e+00 -2.402988528e+00 -2.928067406e+00 3.08 -1.186706295e+00 -2.311397563e+00 -2.834510891e+00 3.10 -1.126975188e+00 -2.219600141e+00 -2.737854114e+00 3.12 -1.070003659e+00 -2.127693123e+00 -2.638327464e+00 3.14 -1.015617063e+00 -2.035795107e+00 -2.536203258e+00 3.16 -9.636474683e-01 -1.944059564e+00 -2.431813013e+00 3.18 -9.139447743e-01 -1.852686674e+00 -2.325562970e+00 3.20 -8.663847220e-01 -1.761932374e+00 -2.217945544e+00 3.22 -8.208732595e-01 -1.672112761e+00 -2.109544230e+00 3.24 -7.773471689e-01 -1.583602172e+00 -2.001029783e+00 3.26 -7.357712366e-01 -1.496823895e+00 -1.893146277e+00 3.28 -6.961325810e-01 -1.412233583e+00 -1.786686962e+00 3.30 -6.584330122e-01 -1.330296661e+00 -1.682461424e+00 3.32 -6.226804720e-01 -1.251462166e+00 -1.581257211e+00 3.34 -5.888806346e-01 -1.176136159e+00 -1.483800254e+00 3.36 -5.570296592e-01 -1.104658030e+00 -1.390718862e+00 3.38 -5.271086857e-01 -1.037282485e+00 -1.302515569e+00 3.40 -4.990806893e-01 -9.741690620e-01 -1.219549830e+00 3.42 -4.728905126e-01 -9.153797371e-01 -1.142032720e+00 3.44 -4.484651639e-01 -8.608840009e-01 -1.070032978e+00 3.46 -4.257165949e-01 -8.105698562e-01 -1.003492217e+00 3.48 -4.045454469e-01 -7.642586966e-01 -9.422462501e-01 3.50 -3.848451039e-01 -7.217219578e-01 -8.860493015e-01 3.52 -3.665056194e-01 -6.826977035e-01 -8.345981953e-01 3.54 -3.494171931e-01 -6.469057708e-01 -7.875543620e-01 3.56 -3.334730125e-01 -6.140606194e-01 -7.445623868e-01 3.58 -3.185713918e-01 -5.838815070e-01 -7.052645954e-01 3.60 -3.046172294e-01 -5.560999802e-01 -6.693118237e-01 3.62 -2.915228629e-01 -5.304649212e-01 -6.363708869e-01 3.64 -2.792084286e-01 -5.067455267e-01 -6.061294139e-01 3.66 -2.676018399e-01 -4.847326433e-01 -5.782986894e-01 3.68 -2.566384914e-01 -4.642388681e-01 -5.526150344e-01 3.70 -2.462607822e-01 -4.450977883e-01 -5.288401208e-01 3.72 -2.364175319e-01 -4.271626574e-01 -5.067605014e-01 3.74 -2.270633473e-01 -4.103044541e-01 -4.861865631e-01 3.76 -2.181579815e-01 -3.944107222e-01 -4.669510603e-01 3.78 -2.096657117e-01 -3.793836202e-01 -4.489073762e-01 3.80 -2.015547558e-01 -3.651377709e-01 -4.319275872e-01 3.82 -1.937967350e-01 -3.515987083e-01 -4.159002260e-01 3.84 -1.863661897e-01 -3.387014240e-01 -4.007292867e-01 3.86 -1.792401456e-01 -3.263890441e-01 -3.863317185e-01 3.88 -1.723977310e-01 -3.146116504e-01 -3.726356110e-01 3.90 -1.658198403e-01 -3.033252457e-01 -3.595787257e-01 3.92 -1.594888397e-01 -2.924908574e-01 -3.471071506e-01 3.94 -1.533883121e-01 -2.820737722e-01 -3.351741017e-01 3.96 -1.475028340e-01 -2.720428863e-01 -3.237388637e-01 3.98 -1.418177857e-01 -2.623701678e-01 -3.127658780e-01 4.00 -1.363191884e-01 -2.530302170e-01 -3.022239568e-01 4.02 -1.309935671e-01 -2.439999188e-01 -2.920856125e-01 4.04 -1.258278393e-01 -2.352581800e-01 -2.823264893e-01 4.06 -1.208092281e-01 -2.267857473e-01 -2.729248821e-01 4.08 -1.159252021e-01 -2.185650996e-01 -2.638613305e-01 4.10 -1.111634435e-01 -2.105804102e-01 -2.551182765e-01 4.12 -1.065118481e-01 -2.028175779e-01 -2.466797763e-01 4.14 -1.019585610e-01 -1.952642993e-01 -2.385312569e-01 4.16 -9.749205395e-02 -1.879101950e-01 -2.306593110e-01 4.18 -9.310124966e-02 -1.807469476e-01 -2.230515229e-01 4.20 -8.877569732e-02 -1.737684367e-01 -2.156963216e-01 4.22 -8.450580430e-02 -1.669708346e-01 -2.085828547e-01 4.24 -8.028312446e-02 -1.603526284e-01 -2.017008810e-01 4.26 -7.610069960e-02 -1.539145331e-01 -1.950406784e-01 4.28 -7.195344417e-02 -1.476592670e-01 -1.885929630e-01 4.30 -6.783855415e-02 -1.415911732e-01 -1.823488198e-01 4.32 -6.375591153e-02 -1.357156948e-01 -1.762996410e-01 4.34 -5.970844436e-02 -1.300387295e-01 -1.704370713e-01 4.36 -5.570239291e-02 -1.245659187e-01 -1.647529596e-01 4.38 -5.174743123e-02 -1.193019337e-01 -1.592393150e-01 4.40 -4.785658233e-02 -1.142498394e-01 -1.538882678e-01 4.42 -4.404589734e-02 -1.094105975e-01 -1.486920337e-01 4.44 -4.033386582e-02 -1.047827547e-01 -1.436428818e-01 4.46 -3.674058151e-02 -1.003622633e-01 -1.387331073e-01 4.48 -3.328670289e-02 -9.614238546e-02 -1.339550068e-01 4.50 -2.999229369e-02 -9.211474967e-02 -1.293008594e-01 4.52 -2.687565183e-02 -8.826913500e-02 -1.247629110e-01 4.54 -2.395209826e-02 -8.459382603e-02 -1.203333733e-01 4.56 -2.123263518e-02 -8.107608862e-02 -1.160044152e-01 4.58 -1.872522299e-02 -7.770261600e-02 -1.117681805e-01 4.60 -1.643341518e-02 -7.445992093e-02 -1.076168091e-01 4.62 -1.435624111e-02 -7.133466322e-02 -1.035424755e-01 4.64 -1.248862180e-02 -6.831391263e-02 -9.953744396e-02 4.66 -1.082199390e-02 -6.538535459e-02 -9.559414533e-02 4.68 -9.345054211e-03 -6.253745081e-02 -9.170527657e-02 4.70 -8.044541155e-03 -5.975956794e-02 -8.786392644e-02 4.72 -6.905984119e-03 -5.704208715e-02 -8.406372865e-02 4.74 -5.914371181e-03 -5.437650538e-02 -8.029904245e-02 4.76 -5.054706385e-03 -5.175553588e-02 -7.656515900e-02 4.78 -4.312445544e-03 -4.917321192e-02 -7.285852825e-02 4.80 -3.673813294e-03 -4.662499290e-02 -6.917699810e-02 4.82 -3.126013222e-03 -4.410787165e-02 -6.552005290e-02 4.84 -2.657347780e-03 -4.162046527e-02 -6.188903414e-02 4.86 -2.257266319e-03 -3.916308908e-02 -5.828732186e-02 4.88 -1.916359023e-03 -3.673778918e-02 -5.472045265e-02 4.90 -1.626312521e-03 -3.434832094e-02 -5.119614884e-02 4.92 -1.379840332e-03 -3.200005817e-02 -4.772423670e-02 4.94 -1.170598667e-03 -2.969982027e-02 -4.431643504e-02 4.96 -9.930955116e-04 -2.745561214e-02 -4.098600659e-02 4.98 -8.425986870e-04 -2.527628436e-02 -3.774728414e-02 5.00 -7.150468226e-04 -2.317112387e-02 -3.461508735e-02 5.02 -6.069657401e-04 -2.114940021e-02 -3.160406828e-02 5.04 -5.153916671e-04 -1.921989885e-02 -2.872803379e-02 5.06 -4.378019202e-04 -1.739047763e-02 -2.599929899e-02 5.08 -3.720531873e-04 -1.566749119e-02 -2.342784008e-02 5.10 -3.163271615e-04 -1.405553891e-02 -2.102092931e-02 5.12 -2.690830563e-04 -1.255801611e-02 -1.878397350e-02 5.14 -2.290164270e-04 -1.117639152e-02 -1.671943971e-02 5.16 -1.950236676e-04 -9.910223023e-03 -1.482688686e-02 5.18 -1.661715400e-04 -8.757305582e-03 -1.310319425e-02 5.20 -1.416711214e-04 -7.713894889e-03 -1.154290278e-02 5.22 -1.208556021e-04 -6.774979939e-03 -1.013862848e-02 5.24 -1.031614133e-04 -5.934577877e-03 -8.881508769e-03 5.26 -8.811221482e-05 -5.186027782e-03 -7.761646457e-03 5.28 -7.530533377e-05 -4.522265067e-03 -6.768524144e-03 5.30 -6.440029590e-05 -3.936063885e-03 -5.891370156e-03 5.32 -5.510913430e-05 -3.420240378e-03 -5.119465387e-03 5.34 -4.718820655e-05 -2.967814340e-03 -4.442387443e-03 5.36 -4.043129055e-05 -2.572130441e-03 -3.850193851e-03 5.38 -3.466376127e-05 -2.226942577e-03 -3.333549756e-03 5.40 -2.973767943e-05 -1.926466375e-03 -2.883807649e-03 5.42 -2.552765054e-05 -1.665405428e-03 -2.493047536e-03 5.44 -2.192733350e-05 -1.438956804e-03 -2.154085899e-03 5.46 -1.884649627e-05 -1.242800975e-03 -1.860461158e-03 5.48 -1.620853228e-05 -1.073080622e-03 -1.606402383e-03 5.50 -1.394836545e-05 -9.263720764e-04 -1.386786852e-03 5.52 -1.201068220e-05 -7.996523773e-04 -1.197090992e-03 5.54 -1.034843876e-05 -6.902642720e-04 -1.033337886e-03 5.56 -8.921600541e-06 -5.958808821e-04 -8.920457013e-04 5.58 -7.696077115e-06 -5.144712564e-04 -7.701743882e-04 5.60 -6.642821829e-06 -4.442676409e-04 -6.650780340e-04 5.62 -5.737070278e-06 -3.837349749e-04 -5.744589262e-04 5.64 -4.957695960e-06 -3.315428927e-04 -4.963256804e-04 5.66 -4.286664763e-06 -2.865403325e-04 -4.289552606e-04 5.68 -3.708572776e-06 -2.477327360e-04 -3.708588690e-04 5.70 -3.210254573e-06 -2.142617363e-04 -3.207515550e-04 5.72 -2.780451014e-06 -1.853871840e-04 -2.775253190e-04 5.74 -2.409527325e-06 -1.604713282e-04 -2.402254393e-04 5.76 -2.089233713e-06 -1.389649580e-04 -2.080297316e-04 5.78 -1.812501987e-06 -1.203953083e-04 -1.802304475e-04 5.80 -1.573272684e-06 -1.043555390e-04 -1.562185266e-04 5.82 -1.366347976e-06 -9.049560643e-05 -1.354699338e-04 5.84 -1.187266495e-06 -7.851436195e-05 -1.175338307e-04 5.86 -1.032196726e-06 -6.815272391e-05 -1.020223551e-04 5.88 -8.978461501e-07 -5.918778696e-05 -8.860180262e-05 5.90 -7.813837678e-07 -5.142774625e-05 -7.698502835e-05 5.92 -6.803739999e-07 -4.470752808e-05 -6.692490581e-05 5.94 -5.927202576e-07 -3.888503180e-05 -5.820870096e-05 5.96 -5.166167299e-07 -3.383789953e-05 -5.065323628e-05 5.98 -4.505071767e-07 -2.946074083e-05 -4.410073594e-05 6.00 -3.930496885e-07 -2.566274918e-05 -3.841525743e-05