# 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 = MoPt3 # 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 4.880405240e+02 nan nan 1.16 4.536363822e+02 nan nan 1.18 4.216635956e+02 nan nan 1.20 3.918928916e+02 nan nan 1.22 3.641356664e+02 nan nan 1.24 3.382391284e+02 nan nan 1.26 3.140794643e+02 nan nan 1.28 2.915465682e+02 4.314979467e+02 4.860755097e+02 1.30 2.705350590e+02 4.033101955e+02 4.550056443e+02 1.32 2.509477380e+02 3.768725472e+02 4.259341872e+02 1.34 2.326970965e+02 3.520857311e+02 3.987315228e+02 1.36 2.156961645e+02 3.288638829e+02 3.732858657e+02 1.38 1.998491227e+02 3.071245810e+02 3.494923100e+02 1.40 1.850540487e+02 2.867863894e+02 3.272403018e+02 1.42 1.712144388e+02 2.677716628e+02 3.064112496e+02 1.44 1.582475137e+02 2.500052323e+02 2.868849226e+02 1.46 1.460839934e+02 2.334073424e+02 2.685471746e+02 1.48 1.346633985e+02 2.178895902e+02 2.512961563e+02 1.50 1.239307954e+02 2.033586871e+02 2.350461657e+02 1.52 1.138365864e+02 1.897230665e+02 2.197286129e+02 1.54 1.043376035e+02 1.768970229e+02 2.052901956e+02 1.56 9.539794167e+01 1.648027290e+02 1.916878678e+02 1.58 8.698854234e+01 1.533721341e+02 1.788818242e+02 1.60 7.908456071e+01 1.425486725e+02 1.668305469e+02 1.62 7.166100233e+01 1.322873450e+02 1.554901500e+02 1.64 6.468916843e+01 1.225523497e+02 1.448156563e+02 1.66 5.813719247e+01 1.133133980e+02 1.347613181e+02 1.68 5.203275164e+01 1.045433209e+02 1.252803465e+02 1.70 4.646872441e+01 9.621833160e+01 1.163257861e+02 1.72 4.139814394e+01 8.831932281e+01 1.078525327e+02 1.74 3.677744050e+01 8.083150956e+01 9.981912575e+01 1.76 3.256989280e+01 7.374180408e+01 9.218864507e+01 1.78 2.874278999e+01 6.703583411e+01 8.492923411e+01 1.80 2.526527383e+01 6.069679657e+01 7.801483779e+01 1.82 2.210733441e+01 5.472040746e+01 7.142583185e+01 1.84 1.923997692e+01 4.921110766e+01 6.514874685e+01 1.86 1.663609763e+01 4.418157187e+01 5.917547159e+01 1.88 1.427131122e+01 3.959266353e+01 5.351526312e+01 1.90 1.212419989e+01 3.540917993e+01 4.828352470e+01 1.92 1.017597413e+01 3.159873610e+01 4.347443221e+01 1.94 8.409870168e+00 2.813062545e+01 3.905545629e+01 1.96 6.810615507e+00 2.497511494e+01 3.499693557e+01 1.98 5.364123684e+00 2.210336060e+01 3.127252556e+01 2.00 4.057403880e+00 1.948783558e+01 2.785852299e+01 2.02 2.878570871e+00 1.710297269e+01 2.473272165e+01 2.04 1.816828723e+00 1.492569639e+01 2.187350559e+01 2.06 8.623555006e-01 1.293564894e+01 1.925956440e+01 2.08 6.098962234e-03 1.111509218e+01 1.687019260e+01 2.10 -7.604376596e-01 9.448581662e+00 1.468586776e+01 2.12 -1.445326069e+00 7.922545109e+00 1.268877162e+01 2.14 -2.056216864e+00 6.524886749e+00 1.086304017e+01 2.16 -2.600252652e+00 5.244700601e+00 9.194683041e+00 2.18 -3.083968772e+00 4.072115333e+00 7.671244205e+00 2.20 -3.513240367e+00 2.998234521e+00 6.281363652e+00 2.22 -3.893284895e+00 2.015110700e+00 5.014415646e+00 2.24 -4.228698226e+00 1.115705352e+00 3.860332187e+00 2.26 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2.62 -5.722915042e+00 -5.775917969e+00 -5.481286682e+00 2.64 -5.662724253e+00 -5.830671381e+00 -5.601166777e+00 2.66 -5.596623428e+00 -5.875313496e+00 -5.700486087e+00 2.68 -5.525506523e+00 -5.910048183e+00 -5.780292636e+00 2.70 -5.450063014e+00 -5.934990264e+00 -5.842094399e+00 2.72 -5.370765407e+00 -5.950215728e+00 -5.889846807e+00 2.74 -5.287891629e+00 -5.955795266e+00 -5.924381161e+00 2.76 -5.201566588e+00 -5.951814234e+00 -5.946299771e+00 2.78 -5.111809648e+00 -5.938382214e+00 -5.956532720e+00 2.80 -5.018579860e+00 -5.915637255e+00 -5.956232575e+00 2.82 -4.921814889e+00 -5.883749787e+00 -5.946707799e+00 2.84 -4.821462056e+00 -5.842893370e+00 -5.929320687e+00 2.86 -4.717501221e+00 -5.793228831e+00 -5.905370078e+00 2.88 -4.609960456e+00 -5.735004767e+00 -5.875985928e+00 2.90 -4.498926029e+00 -5.668591240e+00 -5.842046621e+00 2.92 -4.384548695e+00 -5.594501750e+00 -5.804058283e+00 2.94 -4.267047780e+00 -5.513406490e+00 -5.762259826e+00 2.96 -4.146713871e+00 -5.426127846e+00 -5.716732624e+00 2.98 -4.023910173e+00 -5.333611694e+00 -5.667443143e+00 3.00 -3.899071670e+00 -5.236874093e+00 -5.614285739e+00 3.02 -3.772700964e+00 -5.136930766e+00 -5.557119720e+00 3.04 -3.645359569e+00 -5.034723049e+00 -5.495797551e+00 3.06 -3.517653999e+00 -4.931055695e+00 -5.430184212e+00 3.08 -3.390216755e+00 -4.826557936e+00 -5.360169067e+00 3.10 -3.263683341e+00 -4.721672067e+00 -5.285672078e+00 3.12 -3.138667325e+00 -4.616666235e+00 -5.206646047e+00 3.14 -3.015735979e+00 -4.511663708e+00 -5.123076341e+00 3.16 -2.895416091e+00 -4.406679651e+00 -5.034979291e+00 3.18 -2.778421828e+00 -4.301658357e+00 -4.942400300e+00 3.20 -2.665437093e+00 -4.196506320e+00 -4.845412579e+00 3.22 -2.556916708e+00 -4.091119322e+00 -4.744117362e+00 3.24 -2.453116068e+00 -3.985403408e+00 -4.638646254e+00 3.26 -2.354127788e+00 -3.879290581e+00 -4.529166221e+00 3.28 -2.259918414e+00 -3.772750245e+00 -4.415887323e+00 3.30 -2.170362376e+00 -3.665797259e+00 -4.299072839e+00 3.32 -2.085271418e+00 -3.558497077e+00 -4.179050816e+00 3.34 -2.004418689e+00 -3.450968120e+00 -4.056225395e+00 3.36 -1.927557460e+00 -3.343381298e+00 -3.931085592e+00 3.38 -1.854434865e+00 -3.235956654e+00 -3.804208783e+00 3.40 -1.784801448e+00 -3.128971709e+00 -3.676256230e+00 3.42 -1.718417271e+00 -3.022760169e+00 -3.547958713e+00 3.44 -1.655055430e+00 -2.917670369e+00 -3.420091896e+00 3.46 -1.594503609e+00 -2.814080581e+00 -3.293443115e+00 3.48 -1.536564347e+00 -2.712543786e+00 -3.168773322e+00 3.50 -1.481054404e+00 -2.613607879e+00 -3.046779251e+00 3.52 -1.427803631e+00 -2.517711637e+00 -2.928062512e+00 3.54 -1.376653542e+00 -2.425182862e+00 -2.813254771e+00 3.56 -1.327455838e+00 -2.336241988e+00 -2.703070877e+00 3.58 -1.280070974e+00 -2.251010237e+00 -2.597988640e+00 3.60 -1.234366876e+00 -2.169521182e+00 -2.498247236e+00 3.62 -1.190217905e+00 -2.091734380e+00 -2.403891105e+00 3.64 -1.147504115e+00 -2.017549751e+00 -2.314814787e+00 3.66 -1.106110888e+00 -1.946821633e+00 -2.230804554e+00 3.68 -1.065929008e+00 -1.879371681e+00 -2.151574429e+00 3.70 -1.026855210e+00 -1.815000182e+00 -2.076795674e+00 3.72 -9.887932476e-01 -1.753495535e+00 -2.006119827e+00 3.74 -9.516554832e-01 -1.694641956e+00 -1.939195990e+00 3.76 -9.153649349e-01 -1.638225502e+00 -1.875683298e+00 3.78 -8.798576644e-01 -1.584038642e+00 -1.815259542e+00 3.80 -8.450852830e-01 -1.531883587e+00 -1.757626779e+00 3.82 -8.110172584e-01 -1.481574564e+00 -1.702514623e+00 3.84 -7.776426058e-01 -1.432939247e+00 -1.649681753e+00 3.86 -7.449704925e-01 -1.385819482e+00 -1.598916035e+00 3.88 -7.130292941e-01 -1.340071489e+00 -1.550033569e+00 3.90 -6.818637611e-01 -1.295565685e+00 -1.502876925e+00 3.92 -6.515301875e-01 -1.252186300e+00 -1.457312788e+00 3.94 -6.220898259e-01 -1.209830963e+00 -1.413229236e+00 3.96 -5.936011401e-01 -1.168410379e+00 -1.370532796e+00 3.98 -5.661118597e-01 -1.127848277e+00 -1.329145510e+00 4.00 -5.396519012e-01 -1.088081688e+00 -1.289002107e+00 4.02 -5.142281781e-01 -1.049061573e+00 -1.250047397e+00 4.04 -4.898220056e-01 -1.010753762e+00 -1.212233950e+00 4.06 -4.663893613e-01 -9.731400448e-01 -1.175520116e+00 4.08 -4.438638014e-01 -9.362191635e-01 -1.139868358e+00 4.10 -4.221614755e-01 -9.000074012e-01 -1.105243915e+00 4.12 -4.011875028e-01 -8.645384415e-01 -1.071613740e+00 4.14 -3.808429641e-01 -8.298620544e-01 -1.038945679e+00 4.16 -3.610318740e-01 -7.960415375e-01 -1.007207858e+00 4.18 -3.416676604e-01 -7.631497236e-01 -9.763682253e-01 4.20 -3.226788123e-01 -7.312637801e-01 -9.463942150e-01 4.22 -3.040134683e-01 -7.004592027e-01 -9.172525063e-01 4.24 -2.856427060e-01 -6.708036106e-01 -8.889088429e-01 4.26 -2.675623852e-01 -6.423510386e-01 -8.613279003e-01 4.28 -2.497933212e-01 -6.151373745e-01 -8.344731823e-01 4.30 -2.323796735e-01 -5.891774154e-01 -8.083069391e-01 4.32 -2.153855271e-01 -5.644637564e-01 -7.827901004e-01 4.34 -1.988898243e-01 -5.409674457e-01 -7.578822248e-01 4.36 -1.829800166e-01 -5.186401081e-01 -7.335414656e-01 4.38 -1.677450228e-01 -4.974170957e-01 -7.097245622e-01 4.40 -1.532681700e-01 -4.772211836e-01 -6.863868657e-01 4.42 -1.396208976e-01 -4.579663728e-01 -6.634824123e-01 4.44 -1.268578185e-01 -4.395614665e-01 -6.409640634e-01 4.46 -1.150135710e-01 -4.219132065e-01 -6.187837319e-01 4.48 -1.041016049e-01 -4.049288768e-01 -5.968927205e-01 4.50 -9.411477930e-02 -3.885183744e-01 -5.752421979e-01 4.52 -8.502744075e-02 -3.725958141e-01 -5.537838344e-01 4.54 -7.679852643e-02 -3.570807708e-01 -5.324706725e-01 4.56 -6.937521329e-02 -3.418992725e-01 -5.112581337e-01 4.58 -6.269668113e-02 -3.269846549e-01 -4.901053454e-01 4.60 -5.669765458e-02 -3.122783662e-01 -4.689766601e-01 4.62 -5.131150137e-02 -2.977307849e-01 -4.478434007e-01 4.64 -4.647277607e-02 -2.833020773e-01 -4.266857751e-01 4.66 -4.211917755e-02 -2.689630869e-01 -4.054948776e-01 4.68 -3.819293318e-02 -2.546962067e-01 -3.842746505e-01 4.70 -3.464168543e-02 -2.404961480e-01 -3.630436438e-01 4.72 -3.141898555e-02 -2.263704912e-01 -3.418363703e-01 4.74 -2.848443307e-02 -2.123398798e-01 -3.207040368e-01 4.76 -2.580339267e-02 -1.984377184e-01 -2.997144366e-01 4.78 -2.334679540e-02 -1.847092556e-01 -2.789508267e-01 4.80 -2.109102361e-02 -1.712099748e-01 -2.585096887e-01 4.82 -1.901676604e-02 -1.580032976e-01 -2.384973862e-01 4.84 -1.710839137e-02 -1.451576552e-01 -2.190258604e-01 4.86 -1.535328381e-02 -1.327431290e-01 -2.002076454e-01 4.88 -1.374117023e-02 -1.208278797e-01 -1.821505917e-01 4.90 -1.226348326e-02 -1.094746636e-01 -1.649527531e-01 4.92 -1.091279531e-02 -9.873772960e-02 -1.486978861e-01 4.94 -9.682345887e-03 -8.866035059e-02 -1.334519464e-01 4.96 -8.565677131e-03 -7.927316932e-02 -1.192608402e-01 4.98 -7.556412993e-03 -7.059343684e-02 -1.061495324e-01 5.00 -6.648092372e-03 -6.262512205e-02 -9.412246189e-02 5.02 -5.834110290e-03 -5.535978133e-02 -8.316507780e-02 5.04 -5.107731134e-03 -4.877801651e-02 -7.324622588e-02 5.06 -4.462642883e-03 -4.285131698e-02 -6.432107532e-02 5.08 -3.893514019e-03 -3.754409003e-02 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-2.862130133e-03 -4.281181210e-03 5.46 -2.545031090e-04 -2.476691836e-03 -3.704690899e-03 5.48 -2.203635344e-04 -2.143881969e-03 -3.206904224e-03 5.50 -1.908786096e-04 -1.856486207e-03 -2.777034010e-03 5.52 -1.654085880e-04 -1.608266775e-03 -2.405753475e-03 5.54 -1.434011582e-04 -1.393835824e-03 -2.085006022e-03 5.56 -1.243798502e-04 -1.208543519e-03 -1.807840063e-03 5.58 -1.079338579e-04 -1.048379616e-03 -1.568258325e-03 5.60 -9.370914132e-05 -9.098872429e-04 -1.361091394e-03 5.62 -8.140067218e-05 -7.900876364e-04 -1.181884610e-03 5.64 -7.074569595e-05 -6.864146547e-04 -1.026800193e-03 5.66 -6.151789067e-05 -5.966579262e-04 -8.925322896e-04 5.68 -5.352231304e-05 -5.189136090e-04 -7.762333752e-04 5.70 -4.659103289e-05 -4.515418172e-04 -6.754506289e-04 5.72 -4.057936737e-05 -3.931298660e-04 -5.880709918e-04 5.74 -3.536263597e-05 -3.424605798e-04 -5.122737912e-04 5.76 -3.083336657e-05 -2.984849918e-04 -4.464899259e-04 5.78 -2.689889170e-05 -2.602988455e-04 -3.893667325e-04 5.80 -2.347928141e-05 -2.271223811e-04 -3.397377605e-04 5.82 -2.050556626e-05 -1.982829550e-04 -2.965967818e-04 5.84 -1.791821008e-05 -1.732001002e-04 -2.590754483e-04 5.86 -1.566579760e-05 -1.513726874e-04 -2.264240904e-04 5.88 -1.370390669e-05 -1.323678919e-04 -1.979952159e-04 5.90 -1.199413920e-05 -1.158117134e-04 -1.732293291e-04 5.92 -1.050328807e-05 -1.013808282e-04 -1.516427450e-04 5.94 -9.202621343e-06 -8.879558732e-05 -1.328171136e-04 5.96 -8.067266507e-06 -7.781399583e-05 -1.163904155e-04 5.98 -7.075681071e-06 -6.822653718e-05 -1.020492187e-04 6.00 -6.209197046e-06 -5.985172074e-05 -8.952201800e-05