# 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 = Pd3Zr # 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 4.343083078e+02 nan nan 1.16 4.014366198e+02 nan nan 1.18 3.711429213e+02 nan nan 1.20 3.432027231e+02 nan nan 1.22 3.174136984e+02 nan nan 1.24 2.935931218e+02 nan nan 1.26 2.715754113e+02 nan nan 1.28 2.512105132e+02 3.797294557e+02 4.319751959e+02 1.30 2.323625732e+02 3.533387146e+02 4.026231853e+02 1.32 2.149083912e+02 3.288266817e+02 3.753345525e+02 1.34 1.987358444e+02 3.060453630e+02 3.499474606e+02 1.36 1.837426723e+02 2.848593950e+02 3.263151225e+02 1.38 1.698358632e+02 2.651452011e+02 3.043039714e+02 1.40 1.569310118e+02 2.467903178e+02 2.837924263e+02 1.42 1.449510496e+02 2.296928061e+02 2.646695798e+02 1.44 1.338245864e+02 2.137600956e+02 2.468338246e+02 1.46 1.234849175e+02 1.989073294e+02 2.301916488e+02 1.48 1.138698376e+02 1.850559241e+02 2.146566091e+02 1.50 1.049219976e+02 1.721329208e+02 2.001483150e+02 1.52 9.658950804e+01 1.600708131e+02 1.865920830e+02 1.54 8.882608927e+01 1.488073295e+02 1.739190277e+02 1.56 8.159048582e+01 1.382849384e+02 1.620658154e+02 1.58 7.484534995e+01 1.284502443e+02 1.509741226e+02 1.60 6.855620469e+01 1.192536735e+02 1.405901729e+02 1.62 6.269099614e+01 1.106494331e+02 1.308644896e+02 1.64 5.722026207e+01 1.025955780e+02 1.217517056e+02 1.66 5.211685008e+01 9.505391719e+01 1.132101679e+02 1.68 4.736018444e+01 8.798974176e+01 1.052014158e+02 1.70 4.296727268e+01 8.137119784e+01 9.768978736e+01 1.72 3.891994698e+01 7.516854307e+01 9.064219537e+01 1.74 3.519201433e+01 6.935354832e+01 8.402804854e+01 1.76 3.175902626e+01 6.389935084e+01 7.781915642e+01 1.78 2.859794922e+01 5.878081149e+01 7.198955255e+01 1.80 2.568708260e+01 5.397524480e+01 6.651514915e+01 1.82 2.300620456e+01 4.946179512e+01 6.137337030e+01 1.84 2.053678202e+01 4.523912396e+01 5.654314322e+01 1.86 1.826206517e+01 4.131762593e+01 5.200459147e+01 1.88 1.616698674e+01 3.767858223e+01 4.774016480e+01 1.90 1.423793012e+01 3.430311094e+01 4.376256461e+01 1.92 1.246248171e+01 3.117324013e+01 4.006361382e+01 1.94 1.082924004e+01 2.827186824e+01 3.662373313e+01 1.96 9.327733614e+00 2.558288287e+01 3.342486997e+01 1.98 7.948374921e+00 2.309125257e+01 3.045025044e+01 2.00 6.682404314e+00 2.078305076e+01 2.768423182e+01 2.02 5.521789382e+00 1.864539369e+01 2.511224884e+01 2.04 4.459100932e+00 1.666633712e+01 2.272082615e+01 2.06 3.487387704e+00 1.483477096e+01 2.049760503e+01 2.08 2.600085060e+00 1.314033805e+01 1.843130865e+01 2.10 1.790966326e+00 1.157337110e+01 1.651166456e+01 2.12 1.054136452e+00 1.012484395e+01 1.472926248e+01 2.14 3.840491359e-01 8.786335675e+00 1.307539342e+01 2.16 -2.244737622e-01 7.550002025e+00 1.154190612e+01 2.18 -7.762362063e-01 6.408551807e+00 1.012110657e+01 2.20 -1.275670818e+00 5.355236378e+00 8.805712283e+00 2.22 -1.726855374e+00 4.383824260e+00 7.588818192e+00 2.24 -2.133531440e+00 3.488577524e+00 6.463893196e+00 2.26 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-4.710164647e+00 -4.237881016e+00 -3.744793365e+00 2.64 -4.691506425e+00 -4.353728594e+00 -3.924613947e+00 2.66 -4.666557488e+00 -4.454003198e+00 -4.083497002e+00 2.68 -4.635563938e+00 -4.539680394e+00 -4.222752708e+00 2.70 -4.598814451e+00 -4.611555356e+00 -4.343667973e+00 2.72 -4.556634956e+00 -4.670393946e+00 -4.447527620e+00 2.74 -4.509382946e+00 -4.716949759e+00 -4.535626657e+00 2.76 -4.457441438e+00 -4.751963252e+00 -4.609252759e+00 2.78 -4.401208818e+00 -4.776158159e+00 -4.669554420e+00 2.80 -4.341107309e+00 -4.790247742e+00 -4.717617183e+00 2.82 -4.277638949e+00 -4.794923952e+00 -4.754506061e+00 2.84 -4.211300128e+00 -4.790926894e+00 -4.781231153e+00 2.86 -4.142526429e+00 -4.779211161e+00 -4.798718562e+00 2.88 -4.071696819e+00 -4.760376778e+00 -4.807793924e+00 2.90 -3.999141467e+00 -4.735474050e+00 -4.809178649e+00 2.92 -3.925147180e+00 -4.705058473e+00 -4.803496873e+00 2.94 -3.849980525e+00 -4.669446133e+00 -4.791305980e+00 2.96 -3.773869759e+00 -4.628992234e+00 -4.773764504e+00 2.98 -3.697026345e+00 -4.584068304e+00 -4.751365832e+00 3.00 -3.619643059e+00 -4.535041657e+00 -4.724141104e+00 3.02 -3.541896222e+00 -4.482270874e+00 -4.692172429e+00 3.04 -3.463947938e+00 -4.426113260e+00 -4.655582334e+00 3.06 -3.385948680e+00 -4.366899274e+00 -4.614528516e+00 3.08 -3.308040235e+00 -4.304943994e+00 -4.569199121e+00 3.10 -3.230358717e+00 -4.240573795e+00 -4.519808662e+00 3.12 -3.153037068e+00 -4.174078730e+00 -4.466594289e+00 3.14 -3.076206316e+00 -4.105727645e+00 -4.409826664e+00 3.16 -2.999995012e+00 -4.035760139e+00 -4.349859796e+00 3.18 -2.924526608e+00 -3.964402994e+00 -4.287063867e+00 3.20 -2.849915174e+00 -3.891870932e+00 -4.221791302e+00 3.22 -2.776260432e+00 -3.818369645e+00 -4.154377923e+00 3.24 -2.703643321e+00 -3.744098741e+00 -4.085132557e+00 3.26 -2.632123156e+00 -3.669254711e+00 -4.014342056e+00 3.28 -2.561736904e+00 -3.594033244e+00 -3.942271987e+00 3.30 -2.492500522e+00 -3.518629875e+00 -3.869170708e+00 3.32 -2.424411911e+00 -3.443238104e+00 -3.795274024e+00 3.34 -2.357454928e+00 -3.368045009e+00 -3.720808939e+00 3.36 -2.291603971e+00 -3.293225359e+00 -3.645995367e+00 3.38 -2.226828763e+00 -3.218935903e+00 -3.571045302e+00 3.40 -2.163099061e+00 -3.145310373e+00 -3.496159722e+00 3.42 -2.100385188e+00 -3.072462463e+00 -3.421524106e+00 3.44 -2.038677681e+00 -3.000480004e+00 -3.347303834e+00 3.46 -1.977964275e+00 -2.929432679e+00 -3.273640718e+00 3.48 -1.918249106e+00 -2.859374129e+00 -3.200651563e+00 3.50 -1.859547151e+00 -2.790345181e+00 -3.128425651e+00 3.52 -1.801881945e+00 -2.722376372e+00 -3.057042595e+00 3.54 -1.745282089e+00 -2.655489614e+00 -2.986553792e+00 3.56 -1.689777283e+00 -2.589699117e+00 -2.917004487e+00 3.58 -1.635394678e+00 -2.525011756e+00 -2.848434651e+00 3.60 -1.582156169e+00 -2.461427151e+00 -2.780883229e+00 3.62 -1.530076862e+00 -2.398937669e+00 -2.714390615e+00 3.64 -1.479164539e+00 -2.337528542e+00 -2.648998888e+00 3.66 -1.429419755e+00 -2.277178246e+00 -2.584749792e+00 3.68 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-1.618747465e+00 4.04 -6.957066499e-01 -1.302477534e+00 -1.574189260e+00 4.06 -6.684414514e-01 -1.260259115e+00 -1.530530563e+00 4.08 -6.422053353e-01 -1.219052623e+00 -1.487772702e+00 4.10 -6.169380612e-01 -1.178878935e+00 -1.445914598e+00 4.12 -5.925799847e-01 -1.139774118e+00 -1.404952274e+00 4.14 -5.690756769e-01 -1.101762244e+00 -1.364878573e+00 4.16 -5.463768487e-01 -1.064870555e+00 -1.325683045e+00 4.18 -5.244443992e-01 -1.029121717e+00 -1.287351959e+00 4.20 -5.032494855e-01 -9.945309305e-01 -1.249868434e+00 4.22 -4.827735835e-01 -9.611035828e-01 -1.213212647e+00 4.24 -4.630075702e-01 -9.288337395e-01 -1.177362115e+00 4.26 -4.439499559e-01 -8.977036193e-01 -1.142292043e+00 4.28 -4.256044573e-01 -8.676840208e-01 -1.107975720e+00 4.30 -4.079771903e-01 -8.387355360e-01 -1.074384975e+00 4.32 -3.910738016e-01 -8.108103041e-01 -1.041490667e+00 4.34 -3.748968628e-01 -7.838540425e-01 -1.009263214e+00 4.36 -3.594418410e-01 -7.578081164e-01 -9.776731247e-01 4.38 -3.447039551e-01 -7.326114747e-01 -9.466914978e-01 4.40 -3.306646997e-01 -7.082023437e-01 -9.162904726e-01 4.42 -3.173011113e-01 -6.845196395e-01 -8.864435726e-01 4.44 -3.045841623e-01 -6.615041089e-01 -8.571259295e-01 4.46 -2.924799907e-01 -6.390992421e-01 -8.283143845e-01 4.48 -2.809513631e-01 -6.172520176e-01 -7.999875018e-01 4.50 -2.699591920e-01 -5.959135458e-01 -7.721255653e-01 4.52 -2.594617464e-01 -5.750396655e-01 -7.447061135e-01 4.54 -2.494252519e-01 -5.545915396e-01 -7.177232155e-01 4.56 -2.398100755e-01 -5.345362718e-01 -6.911581682e-01 4.58 -2.305822165e-01 -5.148475449e-01 -6.650013229e-01 4.60 -2.217113091e-01 -4.955062570e-01 -6.392477255e-01 4.62 -2.131706027e-01 -4.765011052e-01 -6.138984838e-01 4.64 -2.049372494e-01 -4.578290432e-01 -5.889621503e-01 4.66 -1.969924003e-01 -4.394955242e-01 -5.644559039e-01 4.68 -1.893211303e-01 -4.215144333e-01 -5.404063062e-01 4.70 -1.819122078e-01 -4.039076204e-01 -5.168494256e-01 4.72 -1.747577250e-01 -3.867039707e-01 -4.938301869e-01 4.74 -1.678526022e-01 -3.699379938e-01 -4.714008830e-01 4.76 -1.611939930e-01 -3.536479652e-01 -4.496188926e-01 4.78 -1.547806186e-01 -3.378737203e-01 -4.285437537e-01 4.80 -1.486120751e-01 -3.226511103e-01 -4.082338367e-01 4.82 -1.426881578e-01 -3.080227192e-01 -3.887429274e-01 4.84 -1.370082518e-01 -2.940151148e-01 -3.701170496e-01 4.86 -1.315708284e-01 -2.806514425e-01 -3.523918282e-01 4.88 -1.263730771e-01 -2.679463907e-01 -3.355906253e-01 4.90 -1.214106882e-01 -2.559055629e-01 -3.197235724e-01 4.92 -1.166777832e-01 -2.445254675e-01 -3.047875149e-01 4.94 -1.121669754e-01 -2.337940604e-01 -2.907667789e-01 4.96 -1.078695343e-01 -2.236917234e-01 -2.776345928e-01 4.98 -1.037756206e-01 -2.141925398e-01 -2.653549569e-01 5.00 -9.987455762e-02 -2.052657203e-01 -2.538847449e-01 5.02 -9.615511150e-02 -1.968770487e-01 -2.431758394e-01 5.04 -9.260575463e-02 -1.889900899e-01 -2.331771486e-01 5.06 -8.921489775e-02 -1.815676415e-01 -2.238363942e-01 5.08 -8.597108086e-02 -1.745729026e-01 -2.151016058e-01 5.10 -8.286311990e-02 -1.679699407e-01 -2.069220904e-01 5.12 -7.988021081e-02 -1.617243277e-01 -1.992497521e-01 5.14 -7.701199529e-02 -1.558035851e-01 -1.920396116e-01 5.16 -7.424859469e-02 -1.501774685e-01 -1.852499084e-01 5.18 -7.158061904e-02 -1.448181240e-01 -1.788423073e-01 5.20 -6.899915827e-02 -1.397001511e-01 -1.727819386e-01 5.22 -6.649576239e-02 -1.348005981e-01 -1.670373170e-01 5.24 -6.406241657e-02 -1.300989165e-01 -1.615801787e-01 5.26 -6.169151662e-02 -1.255768914e-01 -1.563852639e-01 5.28 -5.937584954e-02 -1.212185612e-01 -1.514300727e-01 5.30 -5.710858323e-02 -1.170101339e-01 -1.466946070e-01 5.32 -5.488326898e-02 -1.129399036e-01 -1.421611155e-01 5.34 -5.269386037e-02 -1.089981635e-01 -1.378138465e-01 5.36 -5.053474951e-02 -1.051771125e-01 -1.336388171e-01 5.38 -4.840082220e-02 -1.014707428e-01 -1.296235991e-01 5.40 -4.628753662e-02 -9.787470538e-02 -1.257571246e-01 5.42 -4.419102084e-02 -9.438614252e-02 -1.220295120e-01 5.44 -4.210818794e-02 -9.100348146e-02 -1.184319092e-01 5.46 -4.003686415e-02 -8.772618894e-02 -1.149563559e-01 5.48 -3.797592258e-02 -8.455449434e-02 -1.115956620e-01 5.50 -3.592541242e-02 -8.148908952e-02 -1.083433002e-01 5.52 -3.388666947e-02 -7.853082006e-02 -1.051933127e-01 5.54 -3.186239900e-02 -7.568039328e-02 -1.021386071e-01 5.56 -2.985670363e-02 -7.293812081e-02 -9.917761524e-02 5.58 -2.787504718e-02 -7.030371301e-02 -9.630373428e-02 5.60 -2.592414304e-02 -6.777609610e-02 -9.351256730e-02 5.62 -2.401175921e-02 -6.535337522e-02 -9.079996723e-02 5.64 -2.214644156e-02 -6.303292795e-02 -8.816199491e-02 5.66 -2.033716632e-02 -6.081134177e-02 -8.559488248e-02 5.68 -1.859294249e-02 -5.868450848e-02 -8.309500102e-02 5.70 -1.692231944e-02 -5.664775016e-02 -8.065883235e-02 5.72 -1.533300176e-02 -5.469595831e-02 -7.828294422e-02 5.74 -1.383174819e-02 -5.282373339e-02 -7.596396876e-02 5.76 -1.242386567e-02 -5.102551445e-02 -7.369858413e-02 5.78 -1.111300948e-02 -4.929569249e-02 -7.148349897e-02 5.80 -9.901099246e-03 -4.762870399e-02 -6.931544016e-02 5.82 -8.788339489e-03 -4.601910410e-02 -6.719114357e-02 5.84 -7.773332355e-03 -4.446162062e-02 -6.510734856e-02 5.86 -6.853262691e-03 -4.295119157e-02 -6.306079622e-02 5.88 -6.024131874e-03 -4.148298944e-02 -6.104823226e-02 5.90 -5.281016383e-03 -4.005243601e-02 -5.906641480e-02 5.92 -4.618329473e-03 -3.865521097e-02 -5.711212821e-02 5.94 -4.030068656e-03 -3.728725778e-02 -5.518220340e-02 5.96 -3.510036670e-03 -3.594478970e-02 -5.327354589e-02 5.98 -3.052028666e-03 -3.462429822e-02 -5.138317215e-02 6.00 -2.649982671e-03 -3.332256454e-02 -4.950825286e-02