# 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 = FeW3 # 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 4.675203753e+02 nan nan 1.16 4.264459650e+02 nan nan 1.18 3.890213680e+02 nan nan 1.20 3.548871265e+02 nan nan 1.22 3.237250659e+02 nan nan 1.24 2.952501852e+02 nan nan 1.26 2.692051270e+02 nan nan 1.28 2.453588879e+02 3.982988344e+02 4.638368305e+02 1.30 2.235078142e+02 3.660288053e+02 4.272034571e+02 1.32 2.034759754e+02 3.363828686e+02 3.934596175e+02 1.34 1.851128454e+02 3.091206774e+02 3.623409114e+02 1.36 1.682881020e+02 2.840179448e+02 3.336161912e+02 1.38 1.528851937e+02 2.608694438e+02 3.070879607e+02 1.40 1.387957616e+02 2.394932752e+02 2.825865443e+02 1.42 1.259161024e+02 2.197333563e+02 2.599615946e+02 1.44 1.141457687e+02 2.014582830e+02 2.390751463e+02 1.46 1.033878035e+02 1.845569765e+02 2.197978751e+02 1.48 9.354995432e+01 1.689331042e+02 2.020077361e+02 1.50 8.454626779e+01 1.545002840e+02 1.855895057e+02 1.52 7.629859752e+01 1.411790395e+02 1.704344390e+02 1.54 6.873768609e+01 1.288953529e+02 1.564401231e+02 1.56 6.180359302e+01 1.175800865e+02 1.435108992e+02 1.58 5.544535182e+01 1.071685627e+02 1.315588754e+02 1.60 4.961987433e+01 9.759993809e+01 1.205049717e+02 1.62 4.429027241e+01 8.881636639e+01 1.102792468e+02 1.64 3.942390522e+01 8.076215167e+01 1.008201515e+02 1.66 3.499052389e+01 7.338311383e+01 9.207297090e+01 1.68 3.096083562e+01 6.662629629e+01 8.398806546e+01 1.70 2.730566617e+01 6.044001891e+01 7.651946200e+01 1.72 2.399572365e+01 5.477419614e+01 6.962406575e+01 1.74 2.100183032e+01 4.958081691e+01 6.326145918e+01 1.76 1.829718694e+01 4.481449670e+01 5.739403643e+01 1.78 1.585534128e+01 4.043304394e+01 5.198714301e+01 1.80 1.364975230e+01 3.639801709e+01 4.700897213e+01 1.82 1.165510201e+01 3.267524934e+01 4.243015907e+01 1.84 9.847588088e+00 2.923525751e+01 3.822319376e+01 1.86 8.205135064e+00 2.605337752e+01 3.436183857e+01 1.88 6.707738784e+00 2.310947713e+01 3.082068864e+01 1.90 5.337867917e+00 2.038757044e+01 2.757491653e+01 1.92 4.080726524e+00 1.787582579e+01 2.460017464e+01 1.94 2.924267069e+00 1.556261297e+01 2.187261728e+01 1.96 1.858943158e+00 1.343673670e+01 1.936954753e+01 1.98 8.772760537e-01 1.148726142e+01 1.707043246e+01 2.00 -2.665675370e-02 9.703228456e+00 1.495432657e+01 2.02 -8.577137518e-01 8.073485657e+00 1.300182910e+01 2.04 -1.620099043e+00 6.586711853e+00 1.119576880e+01 2.06 -2.317662436e+00 5.231510204e+00 9.521669950e+00 2.08 -2.954091410e+00 3.996541287e+00 7.967755673e+00 2.10 -3.533013404e+00 2.870692144e+00 6.524755187e+00 2.12 -4.058033371e+00 1.843283488e+00 5.185485127e+00 2.14 -4.532730639e+00 9.043034307e-01 3.944315031e+00 2.16 -4.960634190e+00 4.463402825e-02 2.796630197e+00 2.18 -5.345189484e+00 -7.437763698e-01 1.738372210e+00 2.20 -5.689724677e+00 -1.467834950e+00 7.656954470e-01 2.22 -5.997420076e+00 -2.133335080e+00 -1.252561595e-01 2.24 -6.271282130e+00 -2.745079917e+00 -9.384681711e-01 2.26 -6.514121817e+00 -3.307062081e+00 -1.678095499e+00 2.28 -6.728536695e+00 -3.822657663e+00 -2.348449529e+00 2.30 -6.916895806e+00 -4.294801493e+00 -2.953956169e+00 2.32 -7.081326933e+00 -4.726125339e+00 -3.499103313e+00 2.34 -7.223651435e+00 -5.119054505e+00 -3.988389888e+00 2.36 -7.345241161e+00 -5.475867552e+00 -4.426282135e+00 2.38 -7.447702157e+00 -5.798728209e+00 -4.817177024e+00 2.40 -7.532420413e+00 -6.089699077e+00 -5.165368599e+00 2.42 -7.600491028e+00 -6.350745257e+00 -5.475011503e+00 2.44 -7.652747253e+00 -6.583733682e+00 -5.750077414e+00 2.46 -7.689799721e+00 -6.790431572e+00 -5.994304167e+00 2.48 -7.712081349e+00 -6.972505550e+00 -6.211142389e+00 2.50 -7.719422913e+00 -7.131521603e+00 -6.403708241e+00 2.52 -7.710756018e+00 -7.268945524e+00 -6.574751588e+00 2.54 -7.685128955e+00 -7.386032000e+00 -6.726646159e+00 2.56 -7.641831799e+00 -7.484002379e+00 -6.861403187e+00 2.58 -7.580393155e+00 -7.564129247e+00 -6.980704865e+00 2.60 -7.500571236e+00 -7.627692763e+00 -7.085935902e+00 2.62 -7.402340028e+00 -7.675881313e+00 -7.178015643e+00 2.64 -7.285873992e+00 -7.709773948e+00 -7.258067172e+00 2.66 -7.151536529e+00 -7.730355885e+00 -7.327180335e+00 2.68 -6.999877473e+00 -7.738533069e+00 -7.386278651e+00 2.70 -6.831643159e+00 -7.734890421e+00 -7.436152636e+00 2.72 -6.647799318e+00 -7.719485012e+00 -7.477483232e+00 2.74 -6.449562805e+00 -7.692253761e+00 -7.510857623e+00 2.76 -6.238436869e+00 -7.653039039e+00 -7.536774344e+00 2.78 -6.016227599e+00 -7.601796332e+00 -7.555306475e+00 2.80 -5.785037619e+00 -7.538597054e+00 -7.565988278e+00 2.82 -5.547243337e+00 -7.463617290e+00 -7.568425781e+00 2.84 -5.305425025e+00 -7.377131148e+00 -7.562325202e+00 2.86 -5.062263715e+00 -7.279508229e+00 -7.547468178e+00 2.88 -4.820389237e+00 -7.171214069e+00 -7.523692454e+00 2.90 -4.581965249e+00 -7.052811721e+00 -7.490876253e+00 2.92 -4.348694417e+00 -6.924962067e+00 -7.448925103e+00 2.94 -4.121932141e+00 -6.788420092e+00 -7.397760440e+00 2.96 -3.902640236e+00 -6.644024520e+00 -7.337309963e+00 2.98 -3.691383395e+00 -6.492683291e+00 -7.267500132e+00 3.00 -3.488367958e+00 -6.335335093e+00 -7.188251437e+00 3.02 -3.293513334e+00 -6.172914939e+00 -7.099477047e+00 3.04 -3.106542821e+00 -6.006325040e+00 -7.001085137e+00 3.06 -2.927079138e+00 -5.836395304e+00 -6.892984805e+00 3.08 -2.754730719e+00 -5.663849806e+00 -6.775096535e+00 3.10 -2.589157507e+00 -5.489215012e+00 -6.647362995e+00 3.12 -2.430109432e+00 -5.312620266e+00 -6.509752424e+00 3.14 -2.277436126e+00 -5.134073380e+00 -6.362280379e+00 3.16 -2.131071774e+00 -4.953546489e+00 -6.205022464e+00 3.18 -1.991003092e+00 -4.770982947e+00 -6.038125640e+00 3.20 -1.857230429e+00 -4.586312334e+00 -5.861818888e+00 3.22 -1.729731554e+00 -4.399470975e+00 -5.676396366e+00 3.24 -1.608435344e+00 -4.210425413e+00 -5.482017723e+00 3.26 -1.493209122e+00 -4.019196791e+00 -5.278842481e+00 3.28 -1.383859899e+00 -3.825884630e+00 -5.067166958e+00 3.30 -1.280147075e+00 -3.630688949e+00 -4.847438635e+00 3.32 -1.181802522e+00 -3.433929857e+00 -4.620272310e+00 3.34 -1.088553576e+00 -3.236063601e+00 -4.386467732e+00 3.36 -1.000144848e+00 -3.037693711e+00 -4.147026224e+00 3.38 -9.163557252e-01 -2.839575444e+00 -3.903162702e+00 3.40 -8.370115959e-01 -2.642611477e+00 -3.656308727e+00 3.42 -7.619879778e-01 -2.447836937e+00 -3.408102149e+00 3.44 -6.912077701e-01 -2.256392602e+00 -3.160359672e+00 3.46 -6.246326720e-01 -2.069486389e+00 -2.915030580e+00 3.48 -5.622504121e-01 -1.888344982e+00 -2.674132551e+00 3.50 -5.040597623e-01 -1.714159150e+00 -2.439673574e+00 3.52 -4.500553592e-01 -1.548027711e+00 -2.213566750e+00 3.54 -4.002141444e-01 -1.390905679e+00 -1.997546492e+00 3.56 -3.544848078e-01 -1.243561782e+00 -1.793094905e+00 3.58 -3.127810526e-01 -1.106549311e+00 -1.601385782e+00 3.60 -2.749789078e-01 -9.801924119e-01 -1.423251088e+00 3.62 -2.409177848e-01 -8.645878618e-01 -1.259171570e+00 3.64 -2.104045870e-01 -7.596205531e-01 -1.109290000e+00 3.66 -1.832199553e-01 -6.649895809e-01 -9.734430479e-01 3.68 -1.591257021e-01 -5.802411903e-01 -8.512063392e-01 3.70 -1.378725580e-01 -5.048048270e-01 -7.419468188e-01 3.72 -1.192072244e-01 -4.380290095e-01 -6.448770179e-01 3.74 -1.028793754e-01 -3.792145143e-01 -5.591068615e-01 3.76 -8.864729186e-02 -3.276432210e-01 -4.836899611e-01 3.78 -7.628119700e-02 -2.826017770e-01 -4.176626242e-01 3.80 -6.556624315e-02 -2.433998956e-01 -3.600749215e-01 3.82 -5.630434774e-02 -2.093835825e-01 -3.100139856e-01 3.84 -4.831506714e-02 -1.799438808e-01 -2.666202655e-01 3.86 -4.143570480e-02 -1.545218713e-01 -2.290977658e-01 3.88 -3.552085561e-02 -1.326106965e-01 -1.967194041e-01 3.90 -3.044154756e-02 -1.137553374e-01 -1.688285955e-01 3.92 -2.608386207e-02 -9.755077885e-02 -1.448380620e-01 3.94 -2.234771079e-02 -8.363910136e-02 -1.242267192e-01 3.96 -1.914678684e-02 -7.170592005e-02 -1.065353267e-01 3.98 -1.640591928e-02 -6.147650548e-02 -9.136144226e-02 4.00 -1.405986165e-02 -5.271181881e-02 -7.835407771e-02 4.02 -1.205219571e-02 -4.520436660e-02 -6.720834699e-02 4.04 -1.033428461e-02 -3.877486577e-02 -5.766029542e-02 4.06 -8.864301312e-03 -3.326929672e-02 -4.948204535e-02 4.08 -7.606344668e-03 -2.855500580e-02 -4.247732296e-02 4.10 -6.529647155e-03 -2.451773568e-02 -3.647720711e-02 4.12 -5.607872518e-03 -2.105923448e-02 -3.133631245e-02 4.14 -4.818498506e-03 -1.809619903e-02 -2.693102928e-02 4.16 -4.142278000e-03 -1.555715778e-02 -2.315503931e-02 4.18 -3.562771082e-03 -1.338084078e-02 -1.991751124e-02 4.20 -3.065940416e-03 -1.151479687e-02 -1.714095135e-02 4.22 -2.639802679e-03 -9.914167533e-03 -1.475894159e-02 4.24 -2.274128799e-03 -8.540612117e-03 -1.271462689e-02 4.26 -1.960187129e-03 -7.361373253e-03 -1.095937777e-02 4.28 -1.690523511e-03 -6.348468994e-03 -9.451620950e-03 4.30 -1.458773294e-03 -5.477997431e-03 -8.155824671e-03 4.32 -1.259500839e-03 -4.729540019e-03 -7.041622997e-03 4.34 -1.088062599e-03 -4.085650765e-03 -6.083063116e-03 4.36 -9.404903780e-04 -3.531419652e-03 -5.257960140e-03 4.38 -8.133918844e-04 -3.054099970e-03 -4.547345198e-03 4.40 -7.038659560e-04 -2.642790451e-03 -3.934993992e-03 4.42 -6.094304087e-04 -2.288164313e-03 -3.407024496e-03 4.44 -5.279605624e-04 -1.982238370e-03 -2.951553873e-03 4.46 -4.576368890e-04 -1.718176314e-03 -2.558406011e-03 4.48 -3.969004227e-04 -1.490121118e-03 -2.218862262e-03 4.50 -3.444147722e-04 -1.293052244e-03 -1.925449011e-03 4.52 -2.990337532e-04 -1.122663963e-03 -1.671756580e-03 4.54 -2.597737997e-04 -9.752616443e-04 -1.452285034e-03 4.56 -2.257904421e-04 -8.476733287e-04 -1.262312347e-03 4.58 -1.963582454e-04 -7.371743161e-04 -1.097782315e-03 4.60 -1.708536909e-04 -6.414228217e-04 -9.552087406e-04 4.62 -1.487405652e-04 -5.584050572e-04 -8.315936856e-04 4.64 -1.295574820e-04 -4.863883345e-04 -7.243576626e-04 4.66 -1.129072211e-04 -4.238810013e-04 -6.312799982e-04 4.68 -9.844761621e-05 -3.695981990e-04 -5.504478597e-04 4.70 -8.588376166e-05 -3.224325800e-04 -4.802126665e-04 4.72 -7.496134477e-05 -2.814292551e-04 -4.191527967e-04 4.74 -6.546093759e-05 -2.457643482e-04 -3.660416638e-04 4.76 -5.719310786e-05 -2.147266295e-04 -3.198203759e-04 4.78 -4.999422923e-05 -1.877017765e-04 -2.795743070e-04 4.80 -4.372288891e-05 -1.641588631e-04 -2.445130094e-04 4.82 -3.825680581e-05 -1.436388554e-04 -2.139529829e-04 4.84 -3.349018528e-05 -1.257445655e-04 -1.873028847e-04 4.86 -2.933144733e-05 -1.101321964e-04 -1.640508283e-04 4.88 -2.570127451e-05 -9.650399126e-05 -1.437534704e-04 4.90 -2.253093370e-05 -8.460193069e-05 -1.260266291e-04 4.92 -1.976083238e-05 -7.420231190e-05 -1.105372133e-04 4.94 -1.733927614e-05 -6.511108304e-05 -9.699627728e-05 4.96 -1.522139871e-05 -5.715982561e-05 -8.515303959e-05 4.98 -1.336823998e-05 -5.020229305e-05 -7.478973013e-05 5.00 -1.174595135e-05 -4.411142688e-05 -6.571714783e-05 5.02 -1.032511017e-05 -3.877678312e-05 -5.777082926e-05 5.04 -9.080128221e-06 -3.410231132e-05 -5.080774217e-05 5.06 -7.988740879e-06 -3.000443704e-05 -4.470343060e-05 5.08 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-4.789687359e-06 5.44 -7.578617055e-07 -2.848927545e-06 -4.246367060e-06 5.46 -6.720864792e-07 -2.526626623e-06 -3.766056717e-06 5.48 -5.962351780e-07 -2.241601127e-06 -3.341287091e-06 5.50 -5.291343494e-07 -1.989444747e-06 -2.965493754e-06 5.52 -4.697523190e-07 -1.766283423e-06 -2.632905103e-06 5.54 -4.171816919e-07 -1.568709673e-06 -2.338435757e-06 5.56 -3.706240591e-07 -1.393725181e-06 -2.077637256e-06 5.58 -3.293766269e-07 -1.238690612e-06 -1.846567282e-06 5.60 -2.928205209e-07 -1.101281705e-06 -1.641762873e-06 5.62 -2.604105503e-07 -9.794508516e-07 -1.460173196e-06 5.64 -2.316662484e-07 -8.713934662e-07 -1.299109451e-06 5.66 -2.061640248e-07 -7.755185207e-07 -1.156200990e-06 5.68 -1.835302885e-07 -6.904227341e-07 -1.029356868e-06 5.70 -1.634354217e-07 -6.148679448e-07 -9.167321351e-07 5.72 -1.455884932e-07 -5.477612684e-07 -8.166982818e-07 5.74 -1.297326226e-07 -4.881376892e-07 -7.278173074e-07 5.76 -1.156409098e-07 -4.351447823e-07 -6.488189598e-07 5.78 -1.031128627e-07 -3.880292992e-07 -5.785807527e-07 5.80 -9.197125895e-08 -3.461253847e-07 -5.161104127e-07 5.82 -8.205938791e-08 -3.088442237e-07 -4.605304549e-07 5.84 -7.323862719e-08 -2.756649394e-07 -4.110646244e-07 5.86 -6.538631091e-08 -2.461265903e-07 -3.670259718e-07 5.88 -5.839385452e-08 -2.198211282e-07 -3.278063638e-07 5.90 -5.216510461e-08 -1.963872017e-07 -2.928672498e-07 5.92 -4.661488605e-08 -1.755047005e-07 -2.617315347e-07 5.94 -4.166772246e-08 -1.568899503e-07 -2.339764184e-07 5.96 -3.725670886e-08 -1.402914787e-07 -2.092270887e-07 5.98 -3.332251807e-08 -1.254862841e-07 -1.871511609e-07 6.00 -2.981252467e-08 -1.122765449e-07 -1.674537755e-07