# 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 = FePd3 # 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 3.389946627e+02 nan nan 1.16 3.109451736e+02 nan nan 1.18 2.852041618e+02 nan nan 1.20 2.615641352e+02 nan nan 1.22 2.398445206e+02 nan nan 1.24 2.198852596e+02 nan nan 1.26 2.015397653e+02 nan nan 1.28 1.846710240e+02 2.920584370e+02 3.362644811e+02 1.30 1.691514729e+02 2.697112993e+02 3.112519327e+02 1.32 1.548638950e+02 2.490539213e+02 2.881112043e+02 1.34 1.417013878e+02 2.299531634e+02 2.666865505e+02 1.36 1.295668664e+02 2.122843175e+02 2.468361871e+02 1.38 1.183728731e+02 1.959310836e+02 2.284317676e+02 1.40 1.080412669e+02 1.807864670e+02 2.113575137e+02 1.42 9.850212364e+01 1.667530735e+02 1.955090591e+02 1.44 8.969202639e+01 1.537424816e+02 1.807921044e+02 1.46 8.155254534e+01 1.416743435e+02 1.671211454e+02 1.48 7.402944995e+01 1.304755326e+02 1.544182940e+02 1.50 6.707258399e+01 1.200791544e+02 1.426121663e+02 1.52 6.063716319e+01 1.104234954e+02 1.316368933e+02 1.54 5.472831388e+01 1.014512923e+02 1.214312673e+02 1.56 4.932662085e+01 9.310949390e+01 1.119381318e+02 1.58 4.438990164e+01 8.534932520e+01 1.031041736e+02 1.60 3.987952859e+01 7.812634960e+01 9.487998919e+01 1.62 3.575981040e+01 7.140034943e+01 8.722006486e+01 1.64 3.199779219e+01 6.513505720e+01 8.008252482e+01 1.66 2.856325911e+01 5.930172648e+01 7.342879713e+01 1.68 2.542871667e+01 5.391251750e+01 6.722334168e+01 1.70 2.256922125e+01 4.895360858e+01 6.143339759e+01 1.72 1.996205539e+01 4.439343964e+01 5.604975246e+01 1.74 1.758634128e+01 4.020222155e+01 5.107783911e+01 1.76 1.542271530e+01 3.635159563e+01 4.648707537e+01 1.78 1.345314965e+01 3.281466853e+01 4.224884580e+01 1.80 1.166093131e+01 2.956622909e+01 3.833696313e+01 1.82 1.003071956e+01 2.658293415e+01 3.472740200e+01 1.84 8.548562744e+00 2.384335442e+01 3.139803052e+01 1.86 7.201813121e+00 2.132788002e+01 2.832840344e+01 1.88 5.978976285e+00 1.901854774e+01 2.549962206e+01 1.90 4.869569480e+00 1.689886270e+01 2.289420364e+01 1.92 3.864029484e+00 1.495365856e+01 2.049591528e+01 1.94 2.953661173e+00 1.316899997e+01 1.828958890e+01 1.96 2.130594009e+00 1.153210398e+01 1.626097065e+01 1.98 1.387717202e+00 1.003125519e+01 1.439664382e+01 2.00 7.185815328e-01 8.655706143e+00 1.268402431e+01 2.02 1.172753933e-01 7.395575013e+00 1.111139441e+01 2.04 -4.217017445e-01 6.241758004e+00 9.667930699e+00 2.06 -9.035390829e-01 5.185865153e+00 8.343694308e+00 2.08 -1.333165727e+00 4.220175521e+00 7.129575072e+00 2.10 -1.715250772e+00 3.337602218e+00 6.017202679e+00 2.12 -2.054169448e+00 2.531658782e+00 4.998849291e+00 2.14 -2.353961119e+00 1.796421861e+00 4.067349312e+00 2.16 -2.618299485e+00 1.126488641e+00 3.216051909e+00 2.18 -2.850483745e+00 5.169307169e-01 2.438803463e+00 2.20 -3.053450738e+00 -3.675192248e-02 1.729940346e+00 2.22 -3.229804247e+00 -5.386733085e-01 1.084269582e+00 2.24 -3.381855734e+00 -9.925989473e-01 4.970277369e-01 2.26 -3.511669451e+00 -1.401979445e+00 -3.617524682e-02 2.28 -3.621105564e+00 -1.769982955e+00 -5.194131924e-01 2.30 -3.711857423e+00 -2.099529074e+00 -9.564911148e-01 2.32 -3.785481821e+00 -2.393325447e+00 -1.350979726e+00 2.34 -3.843427671e+00 -2.653905973e+00 -1.706238802e+00 2.36 -3.888094265e+00 -2.883667410e+00 -2.025431769e+00 2.38 -3.920890477e+00 -3.084900282e+00 -2.311531954e+00 2.40 -3.942213944e+00 -3.259811399e+00 -2.567319755e+00 2.42 -3.952534914e+00 -3.410538269e+00 -2.795371744e+00 2.44 -3.952353557e+00 -3.539157777e+00 -2.998046585e+00 2.46 -3.942190379e+00 -3.647690258e+00 -3.177475399e+00 2.48 -3.922592360e+00 -3.738095905e+00 -3.335562938e+00 2.50 -3.894255738e+00 -3.812257716e+00 -3.474001193e+00 2.52 -3.858088329e+00 -3.871948459e+00 -3.594292155e+00 2.54 -3.815029439e+00 -3.918787854e+00 -3.697774268e+00 2.56 -3.766020176e+00 -3.954643781e+00 -3.785648067e+00 2.58 -3.711875928e+00 -3.981580274e+00 -3.858999021e+00 2.60 -3.653321156e+00 -3.999985070e+00 -3.918817983e+00 2.62 -3.591022898e+00 -4.010135846e+00 -3.966020984e+00 2.64 -3.525559811e+00 -4.012296618e+00 -4.002134172e+00 2.66 -3.457410963e+00 -4.006727638e+00 -4.028462705e+00 2.68 -3.386962564e+00 -3.993695891e+00 -4.045250823e+00 2.70 -3.314524917e+00 -3.973483733e+00 -4.052865252e+00 2.72 -3.240352340e+00 -3.946470415e+00 -4.051788412e+00 2.74 -3.164661881e+00 -3.913148032e+00 -4.042612404e+00 2.76 -3.087649604e+00 -3.873998182e+00 -4.026016510e+00 2.78 -3.009504596e+00 -3.829477480e+00 -4.002728750e+00 2.80 -2.930421002e+00 -3.779959968e+00 -3.973557881e+00 2.82 -2.850608038e+00 -3.725808939e+00 -3.939352716e+00 2.84 -2.770297539e+00 -3.667431180e+00 -3.900833942e+00 2.86 -2.689748377e+00 -3.605281063e+00 -3.858517026e+00 2.88 -2.609247039e+00 -3.539859512e+00 -3.812717142e+00 2.90 -2.529103824e+00 -3.471705700e+00 -3.763671118e+00 2.92 -2.449644513e+00 -3.401380095e+00 -3.711567650e+00 2.94 -2.371198071e+00 -3.329439677e+00 -3.656568461e+00 2.96 -2.294081623e+00 -3.256408882e+00 -3.598825025e+00 2.98 -2.218584652e+00 -3.182751897e+00 -3.538489448e+00 3.00 -2.144954673e+00 -3.108852201e+00 -3.475719894e+00 3.02 -2.073386426e+00 -3.035003357e+00 -3.410682018e+00 3.04 -2.004016058e+00 -2.961411820e+00 -3.343548053e+00 3.06 -1.936920787e+00 -2.888209496e+00 -3.274495054e+00 3.08 -1.872123577e+00 -2.815472004e+00 -3.203703395e+00 3.10 -1.809601600e+00 -2.743238506e+00 -3.131356199e+00 3.12 -1.749296858e+00 -2.671529971e+00 -3.057639978e+00 3.14 -1.691127300e+00 -2.600364093e+00 -2.982746447e+00 3.16 -1.634997089e+00 -2.529766295e+00 -2.906875219e+00 3.18 -1.580805103e+00 -2.459776945e+00 -2.830236929e+00 3.20 -1.528451249e+00 -2.390455230e+00 -2.753056205e+00 3.22 -1.477840602e+00 -2.321880193e+00 -2.675573903e+00 3.24 -1.428885636e+00 -2.254149345e+00 -2.598048030e+00 3.26 -1.381507007e+00 -2.187375270e+00 -2.520752910e+00 3.28 -1.335633317e+00 -2.121680615e+00 -2.443976291e+00 3.30 -1.291200300e+00 -2.057191980e+00 -2.368014272e+00 3.32 -1.248149707e+00 -1.994033292e+00 -2.293164143e+00 3.34 -1.206428146e+00 -1.932319323e+00 -2.219715427e+00 3.36 -1.165985968e+00 -1.872150009e+00 -2.147939686e+00 3.38 -1.126776281e+00 -1.813606084e+00 -2.078079911e+00 3.40 -1.088754111e+00 -1.756746369e+00 -2.010340594e+00 3.42 -1.051875691e+00 -1.701606812e+00 -1.944879720e+00 3.44 -1.016097883e+00 -1.648201118e+00 -1.881803793e+00 3.46 -9.813776828e-01 -1.596522680e+00 -1.821166662e+00 3.48 -9.476718261e-01 -1.546547376e+00 -1.762972229e+00 3.50 -9.149364580e-01 -1.498236806e+00 -1.707180502e+00 3.52 -8.831268815e-01 -1.451541600e+00 -1.653715927e+00 3.54 -8.521973775e-01 -1.406404501e+00 -1.602476702e+00 3.56 -8.221011211e-01 -1.362763031e+00 -1.553343913e+00 3.58 -7.927902119e-01 -1.320551665e+00 -1.506189594e+00 3.60 -7.642158510e-01 -1.279703485e+00 -1.460883232e+00 3.62 -7.363287078e-01 -1.240151375e+00 -1.417296578e+00 3.64 -7.090795191e-01 -1.201828819e+00 -1.375306892e+00 3.66 -6.824199680e-01 -1.164670408e+00 -1.334798891e+00 3.68 -6.563038787e-01 -1.128612146e+00 -1.295665738e+00 3.70 -6.306887456e-01 -1.093591630e+00 -1.257809377e+00 3.72 -6.055375765e-01 -1.059548184e+00 -1.221140483e+00 3.74 -5.808209780e-01 -1.026422993e+00 -1.185578209e+00 3.76 -5.565193372e-01 -9.941592632e-01 -1.151049880e+00 3.78 -5.326248710e-01 -9.627024245e-01 -1.117490662e+00 3.80 -5.091432392e-01 -9.320003821e-01 -1.084843254e+00 3.82 -4.860943629e-01 -9.020038023e-01 -1.053057562e+00 3.84 -4.635120984e-01 -8.726664345e-01 -1.022090338e+00 3.86 -4.414425036e-01 -8.439454684e-01 -9.919047407e-01 3.88 -4.199406124e-01 -8.158019376e-01 -9.624697953e-01 3.90 -3.990658864e-01 -7.882011893e-01 -9.337597556e-01 3.92 -3.788767889e-01 -7.611134433e-01 -9.057533707e-01 3.94 -3.594251501e-01 -7.345144589e-01 -8.784330931e-01 3.96 -3.407510947e-01 -7.083863029e-01 -8.517842596e-01 3.98 -3.228792449e-01 -6.827181914e-01 -8.257942939e-01 4.00 -3.058166895e-01 -6.575073189e-01 -8.004519610e-01 4.02 -2.895529047e-01 -6.327595529e-01 -7.757467058e-01 4.04 -2.740614907e-01 -6.084898239e-01 -7.516680898e-01 4.06 -2.593033400e-01 -5.847220221e-01 -7.282053351e-01 4.08 -2.452307130e-01 -5.614882277e-01 -7.053469711e-01 4.10 -2.317916781e-01 -5.388271566e-01 -6.830805744e-01 4.12 -2.189344309e-01 -5.167818179e-01 -6.613925876e-01 4.14 -2.066111142e-01 -4.953964892e-01 -6.402682028e-01 4.16 -1.947808723e-01 -4.747132908e-01 -6.196912923e-01 4.18 -1.834119689e-01 -4.547687066e-01 -5.996443746e-01 4.20 -1.724828811e-01 -4.355904617e-01 -5.801086039e-01 4.22 -1.619823527e-01 -4.171951191e-01 -5.610637736e-01 4.24 -1.519084508e-01 -3.995866433e-01 -5.424883303e-01 4.26 -1.422667644e-01 -3.827560265e-01 -5.243593937e-01 4.28 -1.330679474e-01 -3.666819068e-01 -5.066527836e-01 4.30 -1.243248869e-01 -3.513319854e-01 -4.893430569e-01 4.32 -1.160498213e-01 -3.366649756e-01 -4.724035591e-01 4.34 -1.082517308e-01 -3.226328054e-01 -4.558064991e-01 4.36 -1.009342755e-01 -3.091828314e-01 -4.395230576e-01 4.38 -9.409446105e-02 -2.962598868e-01 -4.235235411e-01 4.40 -8.772209843e-02 -2.838080600e-01 -4.077775980e-01 4.42 -8.180001210e-02 -2.717721658e-01 -3.922545130e-01 4.44 -7.630486042e-02 -2.600989256e-01 -3.769235994e-01 4.46 -7.120838215e-02 -2.487379046e-01 -3.617547073e-01 4.48 -6.647887366e-02 -2.376422703e-01 -3.467188651e-01 4.50 -6.208271327e-02 -2.267694406e-01 -3.317890696e-01 4.52 -5.798580838e-02 -2.160816821e-01 -3.169412269e-01 4.54 -5.415487224e-02 -2.055467011e-01 -3.021552469e-01 4.56 -5.055815689e-02 -1.951382535e-01 -2.874162529e-01 4.58 -4.716686499e-02 -1.848367729e-01 -2.727158830e-01 4.60 -4.395593780e-02 -1.746299920e-01 -2.580535982e-01 4.62 -4.090378667e-02 -1.645135060e-01 -2.434379051e-01 4.64 -3.799261256e-02 -1.544912059e-01 -2.288873694e-01 4.66 -3.520852264e-02 -1.445754897e-01 -2.144312744e-01 4.68 -3.254146323e-02 -1.347871575e-01 -2.001097799e-01 4.70 -2.998498768e-02 -1.251549024e-01 -1.859734442e-01 4.72 -2.753588317e-02 -1.157143366e-01 -1.720820193e-01 4.74 -2.519367159e-02 -1.065065346e-01 -1.585024893e-01 4.76 -2.296000895e-02 -9.757612706e-02 -1.453064107e-01 4.78 -2.083801619e-02 -8.896906305e-02 -1.325667079e-01 4.80 -1.883157928e-02 -8.073018387e-02 -1.203541605e-01 4.82 -1.694450894e-02 -7.290081276e-02 -1.087338828e-01 4.84 -1.518026806e-02 -6.551657351e-02 -9.776211111e-02 4.86 -1.354141079e-02 -5.860561246e-02 -8.748359073e-02 4.88 -1.202909061e-02 -5.218737503e-02 -7.792977619e-02 4.90 -1.064285444e-02 -4.627200836e-02 -6.911794362e-02 4.92 -9.380587734e-03 -4.086039877e-02 -6.105126365e-02 4.94 -8.238592639e-03 -3.594461516e-02 -5.371968979e-02 4.96 -7.211770450e-03 -3.150920480e-02 -4.710152130e-02 4.98 -6.293874649e-03 -2.753252726e-02 -4.116536605e-02 5.00 -5.477800467e-03 -2.398801522e-02 -3.587233614e-02 5.02 -4.755880948e-03 -2.084566434e-02 -3.117827415e-02 5.04 -4.120165914e-03 -1.807311178e-02 -2.703562646e-02 5.06 -3.562667611e-03 -1.563736774e-02 -2.339564720e-02 5.08 -3.075563961e-03 -1.350614563e-02 -2.021012288e-02 5.10 -2.651356336e-03 -1.164798553e-02 -1.743179016e-02 5.12 -2.282983257e-03 -1.003291160e-02 -1.501607741e-02 5.14 -1.963894411e-03 -8.632879441e-03 -1.292147592e-02 5.16 -1.688090989e-03 -7.422043349e-03 -1.110959992e-02 5.18 -1.450138923e-03 -6.376879933e-03 -9.545429014e-03 5.20 -1.245161421e-03 -5.476202440e-03 -8.197368542e-03 5.22 -1.068816563e-03 -4.701095978e-03 -7.037178435e-03 5.24 -9.172648800e-04 -4.034798921e-03 -6.039812676e-03 5.26 -7.871308941e-04 -3.462550757e-03 -5.183202505e-03 5.28 -6.754617198e-04 -2.971421997e-03 -4.448008818e-03 5.30 -5.796850194e-04 -2.550137704e-03 -3.817362434e-03 5.32 -4.975679525e-04 -2.188902871e-03 -3.276605460e-03 5.34 -4.271782075e-04 -1.879235186e-03 -2.813042648e-03 5.36 -3.668477859e-04 -1.613808653e-03 -2.415708338e-03 5.38 -3.151398934e-04 -1.386309988e-03 -2.075152120e-03 5.40 -2.708190618e-04 -1.191308618e-03 -1.783244581e-03 5.42 -2.328244676e-04 -1.024140296e-03 -1.533003296e-03 5.44 -2.002463071e-04 -8.808038544e-04 -1.318438388e-03 5.46 -1.723050220e-04 -7.578702887e-04 -1.134416484e-03 5.48 -1.483331376e-04 -6.524031755e-04 -9.765416208e-04 5.50 -1.277594591e-04 -5.618893640e-04 -8.410514971e-04 5.52 -1.100953747e-04 -4.841788610e-04 -7.247274875e-04 5.54 -9.492302280e-05 -4.174328655e-04 -6.248166250e-04 5.56 -8.188509754e-05 -3.600789764e-04 -5.389654690e-04 5.58 -7.067608467e-05 -3.107726708e-04 -4.651609951e-04 5.60 -6.103474164e-05 -2.683642389e-04 -4.016820882e-04 5.62 -5.273765440e-05 -2.318704454e-04 -3.470568575e-04 5.64 -4.559372336e-05 -2.004502740e-04 -3.000263216e-04 5.66 -3.943944921e-05 -1.733841844e-04 -2.595133547e-04 5.68 -3.413490525e-05 -1.500563898e-04 -2.245961531e-04 5.70 -2.956029843e-05 -1.299397215e-04 -1.944855764e-04 5.72 -2.561303410e-05 -1.125827097e-04 -1.685058065e-04 5.74 -2.220521135e-05 -9.759855977e-05 -1.460778433e-04 5.76 -1.926148616e-05 -8.465574500e-05 -1.267054223e-04 5.78 -1.671724832e-05 -7.346998240e-05 -1.099630014e-04 5.80 -1.451706617e-05 -6.379738578e-05 -9.548551108e-05 5.82 -1.261335944e-05 -5.542862381e-05 -8.295960847e-05 5.84 -1.096526677e-05 -4.818393450e-05 -7.211621431e-05 5.86 -9.537678931e-06 -4.190886955e-05 -6.272414206e-05 5.88 -8.300413358e-06 -3.647066080e-05 -5.458465848e-05 5.90 -7.227509147e-06 -3.175511674e-05 -4.752683782e-05 5.92 -6.296624630e-06 -2.766397097e-05 -4.140359254e-05 5.94 -5.488522471e-06 -2.411261580e-05 -3.608828060e-05 5.96 -4.786629351e-06 -2.102816432e-05 -3.147180442e-05 5.98 -4.176659289e-06 -1.834779251e-05 -2.746012929e-05 6.00 -3.646291252e-06 -1.601732053e-05 -2.397215944e-05