# 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 = MgMo3 # 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 4.302511181e+02 nan nan 1.16 3.956070462e+02 nan nan 1.18 3.638384993e+02 nan nan 1.20 3.346787504e+02 nan nan 1.22 3.078886280e+02 nan nan 1.24 2.832521726e+02 nan nan 1.26 2.605739662e+02 nan nan 1.28 2.396785661e+02 3.720992552e+02 4.266829191e+02 1.30 2.204108557e+02 3.445695982e+02 3.958229724e+02 1.32 2.026356634e+02 3.191381933e+02 3.672407505e+02 1.34 1.862355727e+02 2.956229715e+02 3.407392249e+02 1.36 1.711071353e+02 2.738532139e+02 3.161464565e+02 1.38 1.571566969e+02 2.536719373e+02 2.933140530e+02 1.40 1.442970405e+02 2.349387790e+02 2.721121560e+02 1.42 1.324453547e+02 2.175313620e+02 2.524238797e+02 1.44 1.215224012e+02 2.013442845e+02 2.341414504e+02 1.46 1.114525095e+02 1.862863720e+02 2.171643214e+02 1.48 1.021640693e+02 1.722775267e+02 2.013983091e+02 1.50 9.359026746e+01 1.592462006e+02 1.867548864e+02 1.52 8.566986129e+01 1.471277732e+02 1.731504601e+02 1.54 7.834782676e+01 1.358635396e+02 1.605059529e+02 1.56 7.157571196e+01 1.253998774e+02 1.487469980e+02 1.58 6.531152515e+01 1.156873236e+02 1.378046285e+02 1.60 5.951908022e+01 1.066795267e+02 1.276159777e+02 1.62 5.416687112e+01 9.833222235e+01 1.181245179e+02 1.64 4.923004883e+01 9.060243478e+01 1.092796904e+02 1.66 4.468906103e+01 8.344803270e+01 1.010361286e+02 1.68 4.051818623e+01 7.682765346e+01 9.335280031e+01 1.70 3.669193369e+01 7.070090168e+01 8.619229718e+01 1.72 3.318523772e+01 6.502868357e+01 7.952036029e+01 1.74 2.997344370e+01 5.977357882e+01 7.330558477e+01 1.76 2.703259399e+01 5.490020942e+01 6.751918303e+01 1.78 2.433968789e+01 5.037705930e+01 6.213468161e+01 1.80 2.187282762e+01 4.618075131e+01 5.712751177e+01 1.82 1.961127255e+01 4.228494648e+01 5.247454090e+01 1.84 1.753550382e+01 3.866487662e+01 4.815784958e+01 1.86 1.562736838e+01 3.529935150e+01 4.415985209e+01 1.88 1.387030100e+01 3.217032647e+01 4.045924669e+01 1.90 1.224954196e+01 2.926237963e+01 3.703513208e+01 1.92 1.075225515e+01 2.656204683e+01 3.386723062e+01 1.94 9.367495420e+00 2.405716438e+01 3.093574536e+01 1.96 8.086027450e+00 2.173634245e+01 2.822135148e+01 1.98 6.900047687e+00 1.958861689e+01 2.570536001e+01 2.00 5.802872820e+00 1.760325544e+01 2.337002162e+01 2.02 4.788648106e+00 1.576966587e+01 2.119891972e+01 2.04 3.852107304e+00 1.407736361e+01 1.917735096e+01 2.06 2.988396509e+00 1.251598025e+01 1.729257616e+01 2.08 2.192955599e+00 1.107531518e+01 1.553387007e+01 2.10 1.461448715e+00 9.745439736e+00 1.389236479e+01 2.12 7.897293614e-01 8.516851334e+00 1.236074665e+01 2.14 1.738273471e-01 7.380654537e+00 1.093288774e+01 2.16 -3.900525070e-01 6.328729427e+00 9.603484452e+00 2.18 -9.055273411e-01 5.353843507e+00 8.367749811e+00 2.20 -1.376029532e+00 4.449682697e+00 7.221178961e+00 2.22 -1.804801027e+00 3.610799151e+00 6.159394948e+00 2.24 -2.194886200e+00 2.832500184e+00 5.178059611e+00 2.26 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-4.847632800e+00 -4.316404870e+00 -3.575144648e+00 2.64 -4.807573802e+00 -4.432945128e+00 -3.740949883e+00 2.66 -4.752482736e+00 -4.533619602e+00 -3.891304597e+00 2.68 -4.682983641e+00 -4.619458871e+00 -4.027502331e+00 2.70 -4.599853819e+00 -4.691441642e+00 -4.150700770e+00 2.72 -4.504053665e+00 -4.750374847e+00 -4.261946493e+00 2.74 -4.396754556e+00 -4.796672216e+00 -4.362191588e+00 2.76 -4.279355151e+00 -4.830674288e+00 -4.452303934e+00 2.78 -4.153476375e+00 -4.852641159e+00 -4.533072192e+00 2.80 -4.020928539e+00 -4.862872203e+00 -4.605031181e+00 2.82 -3.883647953e+00 -4.861723237e+00 -4.668296666e+00 2.84 -3.743609261e+00 -4.849601276e+00 -4.722961159e+00 2.86 -3.602723367e+00 -4.826963145e+00 -4.769131776e+00 2.88 -3.462736090e+00 -4.794317605e+00 -4.806910753e+00 2.90 -3.325142388e+00 -4.752228694e+00 -4.836380342e+00 2.92 -3.191127438e+00 -4.701317596e+00 -4.857592268e+00 2.94 -3.061542831e+00 -4.642260221e+00 -4.870561825e+00 2.96 -2.936911420e+00 -4.575778272e+00 -4.875266085e+00 2.98 -2.817463283e+00 -4.502622705e+00 -4.871648070e+00 3.00 -2.703187194e+00 -4.423550179e+00 -4.859620569e+00 3.02 -2.593908492e+00 -4.339294751e+00 -4.839076945e+00 3.04 -2.489332764e+00 -4.250538242e+00 -4.809901675e+00 3.06 -2.388870755e+00 -4.157884565e+00 -4.771982287e+00 3.08 -2.291935427e+00 -4.061838713e+00 -4.725221108e+00 3.10 -2.197689556e+00 -3.962797103e+00 -4.669545880e+00 3.12 -2.105058358e+00 -3.861046587e+00 -4.604918550e+00 3.14 -2.013323139e+00 -3.756774333e+00 -4.531342001e+00 3.16 -1.922133509e+00 -3.650082610e+00 -4.448865013e+00 3.18 -1.831439614e+00 -3.541011650e+00 -4.357586224e+00 3.20 -1.741406870e+00 -3.429564065e+00 -4.257658172e+00 3.22 -1.652329143e+00 -3.315730797e+00 -4.149292899e+00 3.24 -1.564553313e+00 -3.199516900e+00 -4.032769418e+00 3.26 -1.478423120e+00 -3.080966039e+00 -3.908444558e+00 3.28 -1.394244711e+00 -2.960218187e+00 -3.776766172e+00 3.30 -1.312271877e+00 -2.837426417e+00 -3.638288013e+00 3.32 -1.232706231e+00 -2.712784460e+00 -3.493684317e+00 3.34 -1.155706617e+00 -2.586608057e+00 -3.343761585e+00 3.36 -1.081402338e+00 -2.459321541e+00 -3.189464635e+00 3.38 -1.009905972e+00 -2.331276526e+00 -3.031896663e+00 3.40 -9.413229680e-01 -2.202849089e+00 -2.872267104e+00 3.42 -8.757562569e-01 -2.074575169e+00 -2.711719927e+00 3.44 -8.133081222e-01 -1.947130739e+00 -2.551491631e+00 3.46 -7.540737610e-01 -1.821299978e+00 -2.392738686e+00 3.48 -6.981365931e-01 -1.697934280e+00 -2.236285413e+00 3.50 -6.455599858e-01 -1.577905112e+00 -2.083021518e+00 3.52 -5.963797995e-01 -1.462054830e+00 -1.933926131e+00 3.54 -5.505985127e-01 -1.351150301e+00 -1.789993456e+00 3.56 -5.081817902e-01 -1.245843872e+00 -1.652163465e+00 3.58 -4.690578707e-01 -1.146645160e+00 -1.521259423e+00 3.60 -4.331196815e-01 -1.053905437e+00 -1.397941037e+00 3.62 -4.002292061e-01 -9.678146465e-01 -1.282675995e+00 3.64 -3.702233672e-01 -8.884095472e-01 -1.175730081e+00 3.66 -3.429206685e-01 -8.155904273e-01 -1.077173632e+00 3.68 -3.181279267e-01 -7.491434079e-01 -9.869005543e-01 3.70 -2.956461413e-01 -6.887653889e-01 -9.046555807e-01 3.72 -2.752757955e-01 -6.340891347e-01 -8.300656155e-01 3.74 -2.568237485e-01 -5.847066195e-01 -7.626717406e-01 3.76 -2.401044032e-01 -5.401894137e-01 -7.019593066e-01 3.78 -2.249423530e-01 -5.001054935e-01 -6.473844400e-01 3.80 -2.111743026e-01 -4.640323221e-01 -5.983960757e-01 3.82 -1.986501569e-01 -4.315663858e-01 -5.544532474e-01 3.84 -1.872334364e-01 -4.023295707e-01 -5.150378320e-01 3.86 -1.768011684e-01 -3.759728750e-01 -4.796632337e-01 3.88 -1.672433908e-01 -3.521779925e-01 -4.478796549e-01 3.90 -1.584623896e-01 -3.306572943e-01 -4.192766435e-01 3.92 -1.503716710e-01 -3.111525635e-01 -3.934833830e-01 3.94 -1.428953826e-01 -2.934337473e-01 -3.701685117e-01 3.96 -1.359666023e-01 -2.772958826e-01 -3.490368386e-01 3.98 -1.295268170e-01 -2.625574683e-01 -3.298276549e-01 4.00 -1.235248389e-01 -2.490580585e-01 -3.123115653e-01 4.02 -1.179159229e-01 -2.366561468e-01 -2.962874568e-01 4.04 -1.126609621e-01 -2.252272407e-01 -2.815795051e-01 4.06 -1.077257646e-01 -2.146620107e-01 -2.680343172e-01 4.08 -1.030804105e-01 -2.048637195e-01 -2.555182699e-01 4.10 -9.869868477e-02 -1.957487709e-01 -2.439150706e-01 4.12 -9.455757992e-02 -1.872455745e-01 -2.331235448e-01 4.14 -9.063686255e-02 -1.792901590e-01 -2.230556846e-01 4.16 -8.691869708e-02 -1.718269930e-01 -2.136349095e-01 4.18 -8.338732012e-02 -1.648075654e-01 -2.047945384e-01 4.20 -8.002875931e-02 -1.581895086e-01 -1.964764458e-01 4.22 -7.683059124e-02 -1.519358012e-01 -1.886294574e-01 4.24 -7.378173238e-02 -1.460140544e-01 -1.812093412e-01 4.26 -7.087226263e-02 -1.403958839e-01 -1.741776500e-01 4.28 -6.809327038e-02 -1.350563599e-01 -1.675006479e-01 4.30 -6.543672049e-02 -1.299735304e-01 -1.611487324e-01 4.32 -6.289534125e-02 -1.251280094e-01 -1.550959335e-01 4.34 -6.046252742e-02 -1.205026230e-01 -1.493194807e-01 4.36 -5.813207340e-02 -1.160821061e-01 -1.437994253e-01 4.38 -5.589887125e-02 -1.118528414e-01 -1.385183079e-01 4.40 -5.375763465e-02 -1.078026365e-01 -1.334608576e-01 4.42 -5.170370205e-02 -1.039205337e-01 -1.286137127e-01 4.44 -4.973276407e-02 -1.001966469e-01 -1.239651539e-01 4.46 -4.784082202e-02 -9.662202219e-02 -1.195048459e-01 4.48 -4.602415496e-02 -9.318851831e-02 -1.152235873e-01 4.50 -4.427929088e-02 -8.988870461e-02 -1.111130751e-01 4.52 -4.260283595e-02 -8.671577323e-02 -1.071652499e-01 4.54 -4.099206035e-02 -8.366346310e-02 -1.033739572e-01 4.56 -3.944392063e-02 -8.072599574e-02 -9.973189894e-02 4.58 -3.795571685e-02 -7.789801947e-02 -9.623257585e-02 4.60 -3.652489876e-02 -7.517456123e-02 -9.286968639e-02 4.62 -3.514905278e-02 -7.255098489e-02 -8.963710276e-02 4.64 -3.382589043e-02 -7.002295518e-02 -8.652887348e-02 4.66 -3.255323813e-02 -6.758640632e-02 -8.353924186e-02 4.68 -3.132902805e-02 -6.523751472e-02 -8.066267122e-02 4.70 -3.015129000e-02 -6.297267512e-02 -7.789386933e-02 4.72 -2.901814407e-02 -6.078847924e-02 -7.522780679e-02 4.74 -2.792779398e-02 -5.868169851e-02 -7.265972990e-02 4.76 -2.687852115e-02 -5.664926751e-02 -7.018516337e-02 4.78 -2.586867487e-02 -5.468826944e-02 -6.779990578e-02 4.80 -2.489660682e-02 -5.279571763e-02 -6.550001965e-02 4.82 -2.396079251e-02 -5.096940380e-02 -6.328181740e-02 4.84 -2.305979218e-02 -4.920653077e-02 -6.114184482e-02 4.86 -2.219221707e-02 -4.750463799e-02 -5.907686332e-02 4.88 -2.135672600e-02 -4.586139121e-02 -5.708383209e-02 4.90 -2.055202212e-02 -4.427454825e-02 -5.515989083e-02 4.92 -1.977684969e-02 -4.274194870e-02 -5.330234351e-02 4.94 -1.902999113e-02 -4.126150812e-02 -5.150864350e-02 4.96 -1.831026400e-02 -3.983121307e-02 -4.977638056e-02 4.98 -1.761651816e-02 -3.844911522e-02 -4.810326695e-02 5.00 -1.694763295e-02 -3.711332791e-02 -4.648712768e-02 5.02 -1.630251455e-02 -3.582202276e-02 -4.492589126e-02 5.04 -1.568009325e-02 -3.457342668e-02 -4.341758128e-02 5.06 -1.507932100e-02 -3.336581967e-02 -4.196030900e-02 5.08 -1.449916897e-02 -3.219753335e-02 -4.055226677e-02 5.10 -1.393862533e-02 -3.106695038e-02 -3.919172229e-02 5.12 -1.339669316e-02 -2.997250492e-02 -3.787701342e-02 5.14 -1.287238875e-02 -2.891268432e-02 -3.660654368e-02 5.16 -1.236474010e-02 -2.788603200e-02 -3.537877809e-02 5.18 -1.187278604e-02 -2.689115183e-02 -3.419223956e-02 5.20 -1.139557581e-02 -2.592671400e-02 -3.304550550e-02 5.22 -1.093216941e-02 -2.499146232e-02 -3.193720483e-02 5.24 -1.048163894e-02 -2.408422299e-02 -3.086601517e-02 5.26 -1.004307094e-02 -2.320391439e-02 -2.983066029e-02 5.28 -9.615570222e-03 -2.234955758e-02 -2.882990775e-02 5.30 -9.198265250e-03 -2.152028662e-02 -2.786256660e-02 5.32 -8.790315364e-03 -2.071535791e-02 -2.692748538e-02 5.34 -8.390920125e-03 -1.993415663e-02 -2.602354922e-02 5.36 -7.999330914e-03 -1.917616794e-02 -2.514962964e-02 5.38 -7.614864853e-03 -1.844102999e-02 -2.430466421e-02 5.40 -7.236921011e-03 -1.772852560e-02 -2.348765449e-02 5.42 -6.864998570e-03 -1.703854506e-02 -2.269763043e-02 5.44 -6.498716408e-03 -1.637106424e-02 -2.193364892e-02 5.46 -6.137833176e-03 -1.572611626e-02 -2.119479243e-02 5.48 -5.782266570e-03 -1.510375804e-02 -2.048016760e-02 5.50 -5.432110118e-03 -1.450403423e-02 -1.978890390e-02 5.52 -5.087645484e-03 -1.392694133e-02 -1.912015225e-02 5.54 -4.749348072e-03 -1.337239522e-02 -1.847297854e-02 5.56 -4.417883788e-03 -1.284020486e-02 -1.784679917e-02 5.58 -4.094095139e-03 -1.233005423e-02 -1.724069710e-02 5.60 -3.778975576e-03 -1.184149383e-02 -1.665389591e-02 5.62 -3.473631986e-03 -1.137394149e-02 -1.608563381e-02 5.64 -3.179236626e-03 -1.092669166e-02 -1.553516237e-02 5.66 -2.896971078e-03 -1.049893131e-02 -1.500174523e-02 5.68 -2.627966140e-03 -1.008976033e-02 -1.448465692e-02 5.70 -2.373242345e-03 -9.698214045e-03 -1.398318171e-02 5.72 -2.133656079e-03 -9.323285907e-03 -1.349661255e-02 5.74 -1.909855834e-03 -8.963948735e-03 -1.302425014e-02 5.76 -1.702252021e-03 -8.619173361e-03 -1.256540223e-02 5.78 -1.511002270e-03 -8.287944123e-03 -1.211938298e-02 5.80 -1.336012362e-03 -7.969271001e-03 -1.168551276e-02 5.82 -1.176951373e-03 -7.662198595e-03 -1.126311817e-02 5.84 -1.033278336e-03 -7.365812310e-03 -1.085153254e-02 5.86 -9.042769490e-04 -7.079242297e-03 -1.045009686e-02 5.88 -7.890947047e-04 -6.801665693e-03 -1.005816140e-02 5.90 -6.867830068e-04 -6.532307749e-03 -9.675087993e-03 5.92 -5.963354627e-04 -6.270442349e-03 -9.300253165e-03 5.94 -5.167222814e-04 -6.015392386e-03 -8.933052193e-03 5.96 -4.469194949e-04 -5.766530365e-03 -8.572904227e-03 5.98 -3.859324317e-04 -5.523279534e-03 -8.219258551e-03 6.00 -3.328134477e-04 -5.285115757e-03 -7.871602029e-03