# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Clement-A-Auger-T--Cu-Zn # implementation = 2022--Clement-A--Cu-Zn--LAMMPS--ipr1 # composition = Cu3Zn # 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 2023-04-18 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 3.541841722e+02 nan nan 1.04 3.206673659e+02 nan nan 1.06 2.903702188e+02 nan nan 1.08 2.629670555e+02 nan nan 1.10 2.381692962e+02 nan nan 1.12 2.157191032e+02 nan nan 1.14 1.953845135e+02 3.106454038e+02 nan 1.16 1.769565248e+02 2.835193083e+02 3.276843228e+02 1.18 1.602482754e+02 2.587823697e+02 2.997850729e+02 1.20 1.450934170e+02 2.362121241e+02 2.742867618e+02 1.22 1.313426448e+02 2.156096945e+02 2.509717512e+02 1.24 1.188614060e+02 1.967958391e+02 2.296439734e+02 1.26 1.075291318e+02 1.796087045e+02 2.101266373e+02 1.28 9.723766377e+01 1.639026067e+02 1.922603607e+02 1.30 8.788917007e+01 1.495464073e+02 1.759005718e+02 1.32 7.939515477e+01 1.364213851e+02 1.609152636e+02 1.34 7.167626441e+01 1.244195121e+02 1.471841850e+02 1.36 6.466149141e+01 1.134423499e+02 1.345985768e+02 1.38 5.828664806e+01 1.034000949e+02 1.230600550e+02 1.40 5.249320840e+01 9.421083529e+01 1.124789532e+02 1.42 4.722796404e+01 8.580018967e+01 1.027733422e+02 1.44 4.244293783e+01 7.810079688e+01 9.386874589e+01 1.46 3.809491005e+01 7.105138275e+01 8.569780178e+01 1.48 3.414454762e+01 6.459602395e+01 7.819954299e+01 1.50 3.055559203e+01 5.868394994e+01 7.131847486e+01 1.52 2.729452876e+01 5.326940438e+01 6.500372611e+01 1.54 2.433071225e+01 4.831108112e+01 5.920852282e+01 1.56 2.163656526e+01 4.377130424e+01 5.388987966e+01 1.58 1.918753757e+01 3.961537531e+01 4.900830653e+01 1.60 1.696187109e+01 3.581123513e+01 4.452755367e+01 1.62 1.494024830e+01 3.232935939e+01 4.041450021e+01 1.64 1.310502319e+01 2.914264572e+01 3.663901709e+01 1.66 1.144004881e+01 2.622619066e+01 3.317366055e+01 1.68 9.930624083e+00 2.355706445e+01 2.999329976e+01 1.70 8.563737592e+00 2.111423441e+01 2.707489442e+01 1.72 7.326856950e+00 1.887858206e+01 2.439738923e+01 1.74 6.208335255e+00 1.683291861e+01 2.194156132e+01 1.76 5.197417094e+00 1.496172733e+01 1.968974529e+01 1.78 4.284213150e+00 1.325081151e+01 1.762553318e+01 1.80 3.459713018e+00 1.168707953e+01 1.573370501e+01 1.82 2.715756813e+00 1.025846180e+01 1.400016965e+01 1.84 2.044942078e+00 8.954255616e+00 1.241184523e+01 1.86 1.440515192e+00 7.764473865e+00 1.095676955e+01 1.88 8.963203479e-01 6.679587183e+00 9.624155668e+00 1.90 4.068110672e-01 5.690820888e+00 8.404379256e+00 1.92 -3.293186467e-02 4.790107187e+00 7.288129558e+00 1.94 -4.272442429e-01 3.970028292e+00 6.266892251e+00 1.96 -7.799795278e-01 3.223763176e+00 5.332983905e+00 1.98 -1.094630230e+00 2.545047943e+00 4.479499355e+00 2.00 -1.374429510e+00 1.928151948e+00 3.700201501e+00 2.02 -1.622413129e+00 1.367861271e+00 2.989397569e+00 2.04 -1.841443983e+00 8.594556600e-01 2.341830697e+00 2.06 -2.034210889e+00 3.986620552e-01 1.752604924e+00 2.08 -2.203212867e+00 -1.840298166e-02 1.217136194e+00 2.10 -2.350747412e+00 -3.952924151e-01 7.311252707e-01 2.12 -2.478911559e+00 -7.352786138e-01 2.905423219e-01 2.14 -2.589615236e+00 -1.041388306e+00 -1.083714584e-01 2.16 -2.686121258e+00 -1.316426002e+00 -4.690921682e-01 2.18 -2.768017523e+00 -1.562985779e+00 -7.948076610e-01 2.20 -2.836545573e+00 -1.783456328e+00 -1.088427620e+00 2.22 -2.893187142e+00 -1.980024810e+00 -1.352615380e+00 2.24 -2.939242025e+00 -2.154684571e+00 -1.589821688e+00 2.26 -2.975835646e+00 -2.309248531e+00 -1.802307994e+00 2.28 -3.003925852e+00 -2.445366332e+00 -1.992156120e+00 2.30 -3.023964044e+00 -2.564544708e+00 -2.161275654e+00 2.32 -3.036007748e+00 -2.668196410e+00 -2.311412223e+00 2.34 -3.040233491e+00 -2.758619775e+00 -2.444167733e+00 2.36 -3.036933782e+00 -2.835434975e+00 -2.561019823e+00 2.38 -3.026487197e+00 -2.900099902e+00 -2.663336782e+00 2.40 -3.009330818e+00 -2.953674420e+00 -2.752384763e+00 2.42 -2.985937056e+00 -2.996816408e+00 -2.830681832e+00 2.44 -2.956798788e+00 -3.030584366e+00 -2.897624963e+00 2.46 -2.922422125e+00 -3.055988445e+00 -2.953936556e+00 2.48 -2.883328635e+00 -3.073846498e+00 -3.000645505e+00 2.50 -2.840059136e+00 -3.084654149e+00 -3.038689252e+00 2.52 -2.793173353e+00 -3.088902336e+00 -3.068919784e+00 2.54 -2.743239236e+00 -3.086988114e+00 -3.092105682e+00 2.56 -2.690814796e+00 -3.079223636e+00 -3.108911782e+00 2.58 -2.636417737e+00 -3.065960310e+00 -3.119604162e+00 2.60 -2.580504204e+00 -3.047585533e+00 -3.124210606e+00 2.62 -2.523454053e+00 -3.024513557e+00 -3.122815293e+00 2.64 -2.465570126e+00 -2.997171394e+00 -3.115561738e+00 2.66 -2.407088930e+00 -2.965981845e+00 -3.102648828e+00 2.68 -2.348198066e+00 -2.931342299e+00 -3.084330328e+00 2.70 -2.289055692e+00 -2.893612786e+00 -3.060914192e+00 2.72 -2.229958321e+00 -2.853109715e+00 -3.032758776e+00 2.74 -2.173687182e+00 -2.810109936e+00 -3.000263628e+00 2.76 -2.116246088e+00 -2.764856215e+00 -2.963854497e+00 2.78 -2.058000983e+00 -2.717569400e+00 -2.923965002e+00 2.80 -1.999297787e+00 -2.668458657e+00 -2.881020600e+00 2.82 -1.940454280e+00 -2.617731210e+00 -2.835427573e+00 2.84 -1.881755668e+00 -2.565600332e+00 -2.787571529e+00 2.86 -1.823458418e+00 -2.512290764e+00 -2.737820868e+00 2.88 -1.765827398e+00 -2.458040515e+00 -2.686531068e+00 2.90 -1.709098778e+00 -2.403098172e+00 -2.634044977e+00 2.92 -1.653459757e+00 -2.347715638e+00 -2.580687327e+00 2.94 -1.599052730e+00 -2.292137702e+00 -2.526755203e+00 2.96 -1.545979785e+00 -2.236591876e+00 -2.472508289e+00 2.98 -1.494307408e+00 -2.183299487e+00 -2.418162592e+00 3.00 -1.444075187e+00 -2.130407485e+00 -2.363889474e+00 3.02 -1.395298303e+00 -2.076949484e+00 -2.309819661e+00 3.04 -1.347976665e+00 -2.023178944e+00 -2.256041605e+00 3.06 -1.302099405e+00 -1.969321789e+00 -2.204910927e+00 3.08 -1.257648867e+00 -1.915581350e+00 -2.153716333e+00 3.10 -1.214603205e+00 -1.862140118e+00 -2.102085146e+00 3.12 -1.172937959e+00 -1.809171446e+00 -2.050169231e+00 3.14 -1.132626822e+00 -1.756861274e+00 -1.998103236e+00 3.16 -1.093641970e+00 -1.705365453e+00 -1.946007823e+00 3.18 -1.055954184e+00 -1.654802609e+00 -1.893992122e+00 3.20 -1.019532931e+00 -1.605259111e+00 -1.842156238e+00 3.22 -9.843464585e-01 -1.556794874e+00 -1.790610787e+00 3.24 -9.503619451e-01 -1.509449127e+00 -1.739478448e+00 3.26 -9.175456540e-01 -1.463245512e+00 -1.688871349e+00 3.28 -8.858630631e-01 -1.418196197e+00 -1.638892536e+00 3.30 -8.552789300e-01 -1.374304980e+00 -1.589638484e+00 3.32 -8.257572768e-01 -1.331569536e+00 -1.541200558e+00 3.34 -7.972613065e-01 -1.289983005e+00 -1.493665186e+00 3.36 -7.697532896e-01 -1.249535127e+00 -1.447112738e+00 3.38 -7.431944775e-01 -1.210213058e+00 -1.401615423e+00 3.40 -7.175451002e-01 -1.172001964e+00 -1.357234830e+00 3.42 -6.927643767e-01 -1.134885228e+00 -1.314019631e+00 3.44 -6.688112674e-01 -1.098845582e+00 -1.272005542e+00 3.46 -6.456441081e-01 -1.063863901e+00 -1.231214012e+00 3.48 -6.232216293e-01 -1.029920222e+00 -1.191654734e+00 3.50 -6.015033137e-01 -9.969934861e-01 -1.153327395e+00 3.52 -5.804498528e-01 -9.650615345e-01 -1.116223800e+00 3.54 -5.600235096e-01 -9.341011114e-01 -1.080329587e+00 3.56 -5.401883653e-01 -9.040871738e-01 -1.045625367e+00 3.58 -5.209104546e-01 -8.749961132e-01 -1.012087336e+00 3.60 -5.021578314e-01 -8.468010122e-01 -9.796876211e-01 3.62 -4.839006206e-01 -8.194752921e-01 -9.483946171e-01 3.64 -4.661111125e-01 -7.929920019e-01 -9.181735082e-01 3.66 -4.487640566e-01 -7.673240004e-01 -8.889870192e-01 3.68 -4.318369688e-01 -7.424440860e-01 -8.607963274e-01 3.70 -4.153108051e-01 -7.183250578e-01 -8.335619992e-01 3.72 -3.991707295e-01 -6.949397059e-01 -8.072448157e-01 3.74 -3.834070208e-01 -6.722607437e-01 -7.818063991e-01 3.76 -3.680159762e-01 -6.502607113e-01 -7.572096112e-01 3.78 -3.530002351e-01 -6.289118871e-01 -7.334187517e-01 3.80 -3.383707822e-01 -6.081862460e-01 -7.103996155e-01 3.82 -3.241440122e-01 -5.880555015e-01 -6.881194801e-01 3.84 -3.103424823e-01 -5.684912557e-01 -6.665470821e-01 3.86 -2.969924656e-01 -5.494652717e-01 -6.456526209e-01 3.88 -2.841212443e-01 -5.309498677e-01 -6.254078034e-01 3.90 -2.717539467e-01 -5.129184206e-01 -6.057859206e-01 3.92 -2.599103693e-01 -4.953459551e-01 -5.867619350e-01 3.94 -2.486021240e-01 -4.782097829e-01 -5.683117993e-01 3.96 -2.378314309e-01 -4.614901485e-01 -5.504156104e-01 3.98 -2.275894638e-01 -4.451708245e-01 -5.330526661e-01 4.00 -2.178574651e-01 -4.292395880e-01 -5.162047999e-01 4.02 -2.086079562e-01 -4.136885015e-01 -4.998553118e-01 4.04 -1.998067540e-01 -3.985139225e-01 -4.839887577e-01 4.06 -1.914152614e-01 -3.837161786e-01 -4.685907072e-01 4.08 -1.833927217e-01 -3.692988842e-01 -4.536474901e-01 4.10 -1.756982163e-01 -3.552679285e-01 -4.391459484e-01 4.12 -1.682922776e-01 -3.416302311e-01 -4.250732065e-01 4.14 -1.611380770e-01 -3.283924253e-01 -4.114164693e-01 4.16 -1.542022016e-01 -3.155596579e-01 -3.981628525e-01 4.18 -1.474550716e-01 -3.031344591e-01 -3.852992446e-01 4.20 -1.408710670e-01 -2.911172227e-01 -3.728122014e-01 4.22 -1.344284431e-01 -2.795046844e-01 -3.606878657e-01 4.24 -1.281091220e-01 -2.682913411e-01 -3.489119121e-01 4.26 -1.218984471e-01 -2.574697876e-01 -3.374695105e-01 4.28 -1.157849862e-01 -2.470313905e-01 -3.263453055e-01 4.30 -1.097604470e-01 -2.369668467e-01 -3.155234119e-01 4.32 -1.038197379e-01 -2.272665053e-01 -3.049874237e-01 4.34 -9.796118280e-02 -2.179204058e-01 -2.947204390e-01 4.36 -9.218678849e-02 -2.089180646e-01 -2.847051042e-01 4.38 -8.650249594e-02 -2.002481002e-01 -2.749236813e-01 4.40 -8.091842825e-02 -1.918978199e-01 -2.653581455e-01 4.42 -7.544864526e-02 -1.838528885e-01 -2.559903193e-01 4.44 -7.011007320e-02 -1.760971726e-01 -2.468020528e-01 4.46 -6.492225731e-02 -1.686128097e-01 -2.377754574e-01 4.48 -5.990612915e-02 -1.613805103e-01 -2.288932013e-01 4.50 -5.508256038e-02 -1.543800622e-01 -2.201388698e-01 4.52 -5.047090417e-02 -1.475909854e-01 -2.114973924e-01 4.54 -4.608769813e-02 -1.409932746e-01 -2.029555277e-01 4.56 -4.194567901e-02 -1.345681665e-01 -1.945023904e-01 4.58 -3.805320687e-02 -1.282988755e-01 -1.861299906e-01 4.60 -3.441412305e-02 -1.221712435e-01 -1.778337441e-01 4.62 -3.102801027e-02 -1.161742607e-01 -1.696128987e-01 4.64 -2.789075930e-02 -1.103004134e-01 -1.614708149e-01 4.66 -2.499532143e-02 -1.045458249e-01 -1.534150354e-01 4.68 -2.233252229e-02 -9.891016441e-02 -1.454570919e-01 4.70 -1.989173762e-02 -9.339631700e-02 -1.376120179e-01 4.72 -1.766123019e-02 -8.800982876e-02 -1.298975730e-01 4.74 -1.562975313e-02 -8.275817117e-02 -1.223332290e-01 4.76 -1.378613686e-02 -7.764989998e-02 -1.149390132e-01 4.78 -1.211931062e-02 -7.269380148e-02 -1.077343349e-01 4.80 -1.061836157e-02 -6.789811412e-02 -1.007369408e-01 4.82 -9.272521380e-03 -6.326993052e-02 -9.396200663e-02 4.84 -8.071125847e-03 -5.881483638e-02 -8.742218082e-02 4.86 -7.003583252e-03 -5.453689301e-02 -8.112677356e-02 4.88 -6.059373338e-03 -5.043853923e-02 -7.508254771e-02 4.90 -5.228084630e-03 -4.652104625e-02 -6.929411706e-02 4.92 -4.499486380e-03 -4.278501389e-02 -6.376475920e-02 4.94 -3.863623931e-03 -3.923067811e-02 -5.849688300e-02 4.96 -3.310923366e-03 -3.585822836e-02 -5.349221041e-02 4.98 -2.832291749e-03 -3.266798324e-02 -4.875253356e-02 5.00 -2.419202366e-03 -2.966040131e-02 -4.427972833e-02 5.02 -2.063758210e-03 -2.683593517e-02 -4.007553266e-02 5.04 -1.758730974e-03 -2.419477133e-02 -3.614115311e-02 5.06 -1.497576031e-03 -2.173650788e-02 -3.247678927e-02 5.08 -1.274426103e-03 -1.945983077e-02 -2.908115833e-02 5.10 -1.084067640e-03 -1.736224280e-02 -2.595110004e-02 5.12 -9.219042731e-04 -1.543980688e-02 -2.308132007e-02 5.14 -7.839116463e-04 -1.368691789e-02 -2.046388812e-02 5.16 -6.665873314e-04 -1.209708822e-02 -1.808902747e-02 5.18 -5.668988992e-04 -1.066258275e-02 -1.594552976e-02 5.20 -4.822324751e-04 -9.374573619e-03 -1.402045977e-02 5.22 -4.103434367e-04 -8.223422328e-03 -1.229959928e-02 5.24 -3.493103544e-04 -7.198975663e-03 -1.076790714e-02 5.26 -2.974927955e-04 -6.290850862e-03 -9.409959204e-03 5.28 -2.534932778e-04 -5.488691983e-03 -8.210342022e-03 5.30 -2.161233940e-04 -4.782386317e-03 -7.153984295e-03 5.32 -1.843739611e-04 -4.162235816e-03 -6.226419082e-03 5.34 -1.573889390e-04 -3.619083463e-03 -5.413977122e-03 5.36 -1.344427972e-04 -3.144397879e-03 -4.703916593e-03 5.38 -1.149209892e-04 -2.730321576e-03 -4.084497625e-03 5.40 -9.830318465e-05 -2.369689193e-03 -3.545011303e-03 5.42 -8.414892532e-05 -2.056022171e-03 -3.075772955e-03 5.44 -7.208539425e-05 -1.783505891e-03 -2.668088864e-03 5.46 -6.179701207e-05 -1.546954567e-03 -2.314204421e-03 5.48 -5.301660694e-05 -1.341768305e-03 -2.007240358e-03 5.50 -4.551793136e-05 -1.163885848e-03 -1.741122409e-03 5.52 -3.910932949e-05 -1.009735724e-03 -1.510508477e-03 5.54 -3.362838253e-05 -8.761877790e-04 -1.310716300e-03 5.56 -2.892942622e-05 -7.605064908e-04 -1.137653740e-03 5.58 -2.491272146e-05 -6.603069841e-04 -9.877530686e-04 5.60 -2.146983855e-05 -5.735142842e-04 -8.579100705e-04 5.62 -1.851660551e-05 -4.983260798e-04 -7.454283807e-04 5.64 -1.598149513e-05 -4.331790569e-04 -6.479691471e-04 5.66 -1.380368638e-05 -3.767187288e-04 -5.635059148e-04 5.68 -1.193142755e-05 -3.277725936e-04 -4.902844809e-04 5.70 -1.032065392e-05 -2.853263927e-04 -4.267873851e-04 5.72 -8.933819996e-06 -2.485032179e-04 -3.717026561e-04 5.74 -7.738912413e-06 -2.165451979e-04 -3.238964176e-04 5.76 -6.708615444e-06 -1.887975027e-04 -2.823889579e-04 5.78 -5.819604881e-06 -1.646944103e-04 -2.463338854e-04 5.80 -5.051950411e-06 -1.437471990e-04 -2.150000141e-04 5.82 -4.388609408e-06 -1.255336463e-04 -1.877556532e-04 5.84 -3.814997948e-06 -1.096889357e-04 -1.640550010e-04 5.86 -3.318627032e-06 -9.589779275e-05 -1.434263797e-04 5.88 -2.888793874e-06 -8.388769040e-05 -1.254620694e-04 5.90 -2.516319796e-06 -7.320633032e-05 -1.098095334e-04 5.92 -2.193327489e-06 -6.410921281e-05 -9.616384789e-05 5.94 -1.913051641e-06 -5.617410159e-05 -8.426117408e-05 5.96 -1.669677796e-06 -4.924874334e-05 -7.387313143e-05 5.98 -1.458205148e-06 -4.320129034e-05 -6.480194794e-05 6.00 -1.274329634e-06 -3.791751438e-05 -5.687628101e-05