# 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 = Mg3W # 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 5.418903035e+02 nan nan 1.16 4.979153117e+02 nan nan 1.18 4.576305094e+02 nan nan 1.20 4.207088742e+02 nan nan 1.22 3.868525431e+02 nan nan 1.24 3.557901663e+02 nan nan 1.26 3.272743643e+02 nan nan 1.28 3.010794793e+02 4.680789331e+02 5.363953501e+02 1.30 2.770001102e+02 4.332078355e+02 4.973132098e+02 1.32 2.548505941e+02 4.010068364e+02 4.611740170e+02 1.34 2.344646974e+02 3.712595039e+02 4.277333764e+02 1.36 2.156944614e+02 3.437653132e+02 3.967691668e+02 1.38 1.984078658e+02 3.183387495e+02 3.680814188e+02 1.40 1.824860867e+02 2.948095598e+02 3.414906349e+02 1.42 1.678210903e+02 2.730229939e+02 3.168350827e+02 1.44 1.543137858e+02 2.528393725e+02 2.939680569e+02 1.46 1.418726316e+02 2.341329306e+02 2.727556974e+02 1.48 1.304126101e+02 2.167902049e+02 2.530753269e+02 1.50 1.198545290e+02 2.007083018e+02 2.348140496e+02 1.52 1.101252684e+02 1.857933808e+02 2.178674028e+02 1.54 1.011567212e+02 1.719595169e+02 2.021381619e+02 1.56 9.288619138e+01 1.591279233e+02 1.875356050e+02 1.58 8.525684452e+01 1.472263364e+02 1.739752752e+02 1.60 7.821696250e+01 1.361883534e+02 1.613790098e+02 1.62 7.172015398e+01 1.259526857e+02 1.496749213e+02 1.64 6.572481845e+01 1.164626187e+02 1.387971412e+02 1.66 6.019312660e+01 1.076657288e+02 1.286853548e+02 1.68 5.509045365e+01 9.951242017e+01 1.192842348e+02 1.70 5.038488644e+01 9.195620258e+01 1.105434163e+02 1.72 4.604684710e+01 8.495349020e+01 1.024161069e+02 1.74 4.204887831e+01 7.846323412e+01 9.485857422e+01 1.76 3.836554881e+01 7.244679153e+01 8.783031022e+01 1.78 3.497339446e+01 6.686834024e+01 8.129392136e+01 1.80 3.185080518e+01 6.169455674e+01 7.521462633e+01 1.82 2.897782241e+01 5.689451245e+01 6.956085082e+01 1.84 2.633588936e+01 5.243971122e+01 6.430377411e+01 1.86 2.390761217e+01 4.830415411e+01 5.941676226e+01 1.88 2.167657784e+01 4.446433602e+01 5.487503057e+01 1.90 1.962724334e+01 4.089911507e+01 5.065535903e+01 1.92 1.774489249e+01 3.758943633e+01 4.673584901e+01 1.94 1.601564592e+01 3.451797556e+01 4.309574334e+01 1.96 1.442649737e+01 3.166878488e+01 3.971529229e+01 1.98 1.296536465e+01 2.902701399e+01 3.657568830e+01 2.00 1.162113745e+01 2.657871299e+01 3.365907715e+01 2.02 1.038378987e+01 2.431069404e+01 3.094864178e+01 2.04 9.244219803e+00 2.221043195e+01 2.842873350e+01 2.06 8.194050632e+00 2.026599245e+01 2.608498940e+01 2.08 7.225881823e+00 1.846598869e+01 2.390439203e+01 2.10 6.333197811e+00 1.679957588e+01 2.187523689e+01 2.12 5.510248070e+00 1.525648659e+01 1.998703114e+01 2.14 4.752126431e+00 1.382709577e+01 1.823034890e+01 2.16 4.054779845e+00 1.250249523e+01 1.659667005e+01 2.18 3.414372790e+00 1.127454383e+01 1.507822113e+01 2.20 2.827207832e+00 1.013599767e+01 1.366782458e+01 2.22 2.289731334e+00 9.080149511e+00 1.235878495e+01 2.24 1.798537729e+00 8.100858566e+00 1.114479419e+01 2.26 1.350375008e+00 7.192640639e+00 1.001987511e+01 2.28 9.421489364e-01 6.350564123e+00 8.978343981e+00 2.30 5.709270787e-01 5.570160528e+00 8.014822170e+00 2.32 2.339393588e-01 4.847420219e+00 7.124230098e+00 2.34 -7.142204651e-02 4.178957443e+00 6.301521607e+00 2.36 -3.476015102e-01 3.561580905e+00 5.541860232e+00 2.38 -5.968785306e-01 2.992184859e+00 4.840626688e+00 2.40 -8.213700260e-01 2.467765370e+00 4.193421397e+00 2.42 -1.023034824e+00 1.985429236e+00 3.596074999e+00 2.44 -1.203682309e+00 1.542402080e+00 3.044841715e+00 2.46 -1.364983393e+00 1.136033404e+00 2.536657046e+00 2.48 -1.508481757e+00 7.638035626e-01 2.068643265e+00 2.50 -1.635603897e+00 4.233308006e-01 1.638028956e+00 2.52 -1.747667415e+00 1.123772843e-01 1.242169845e+00 2.54 -1.845887353e+00 -1.711473381e-01 8.785641229e-01 2.56 -1.931383644e+00 -4.291859652e-01 5.448672170e-01 2.58 -2.005183056e+00 -6.635382946e-01 2.389005075e-01 2.60 -2.068226647e+00 -8.758692337e-01 -4.134679499e-02 2.62 -2.121373015e+00 -1.067719868e+00 -2.977218771e-01 2.64 -2.165404843e+00 -1.240522663e+00 -5.319211412e-01 2.66 -2.201033567e+00 -1.395609990e+00 -7.455001209e-01 2.68 -2.228906505e+00 -1.534227644e+00 -9.398922971e-01 2.70 -2.249613319e+00 -1.657542666e+00 -1.116424199e+00 2.72 -2.263692536e+00 -1.766649860e+00 -1.276330144e+00 2.74 -2.271637501e+00 -1.862576529e+00 -1.420765007e+00 2.76 -2.273901394e+00 -1.946285907e+00 -1.550814622e+00 2.78 -2.270900995e+00 -2.018679607e+00 -1.667503497e+00 2.80 -2.263020414e+00 -2.080601907e+00 -1.771800134e+00 2.82 -2.250612348e+00 -2.132840831e+00 -1.864618399e+00 2.84 -2.234001467e+00 -2.176134173e+00 -1.946817131e+00 2.86 -2.213486937e+00 -2.211174079e+00 -2.019197317e+00 2.88 -2.189347485e+00 -2.238612470e+00 -2.082499027e+00 2.90 -2.161844201e+00 -2.259066319e+00 -2.137399651e+00 2.92 -2.131227074e+00 -2.273122225e+00 -2.184514528e+00 2.94 -2.097742652e+00 -2.281339816e+00 -2.224400120e+00 2.96 -2.061638431e+00 -2.284253604e+00 -2.257557896e+00 2.98 -2.023268393e+00 -2.282373171e+00 -2.284445065e+00 3.00 -1.982813628e+00 -2.276181755e+00 -2.305472756e+00 3.02 -1.940375978e+00 -2.266133661e+00 -2.321017236e+00 3.04 -1.896115797e+00 -2.252650519e+00 -2.331423467e+00 3.06 -1.850253209e+00 -2.236120533e+00 -2.337009716e+00 3.08 -1.802887764e+00 -2.216917050e+00 -2.338071692e+00 3.10 -1.753808301e+00 -2.195346030e+00 -2.334886146e+00 3.12 -1.702944836e+00 -2.171607394e+00 -2.327713854e+00 3.14 -1.650422710e+00 -2.145898199e+00 -2.316801843e+00 3.16 -1.596531497e+00 -2.118405108e+00 -2.302384868e+00 3.18 -1.541682555e+00 -2.089283961e+00 -2.284686243e+00 3.20 -1.486360334e+00 -2.058597996e+00 -2.263918221e+00 3.22 -1.431073685e+00 -2.026417435e+00 -2.240283176e+00 3.24 -1.376313032e+00 -1.992842725e+00 -2.213973788e+00 3.26 -1.322517601e+00 -1.957992071e+00 -2.185175579e+00 3.28 -1.270054632e+00 -1.922021438e+00 -2.154069410e+00 3.30 -1.219210244e+00 -1.885088053e+00 -2.120834778e+00 3.32 -1.170189924e+00 -1.847241929e+00 -2.085676670e+00 3.34 -1.123125460e+00 -1.808542917e+00 -2.048851699e+00 3.36 -1.078086968e+00 -1.769065391e+00 -2.010431323e+00 3.38 -1.035093097e+00 -1.728898510e+00 -1.970495374e+00 3.40 -9.941236819e-01 -1.688062896e+00 -1.929161472e+00 3.42 -9.551288061e-01 -1.646406928e+00 -1.886585870e+00 3.44 -9.180386043e-01 -1.603822994e+00 -1.842871906e+00 3.46 -8.827671066e-01 -1.560286906e+00 -1.797864109e+00 3.48 -8.492196081e-01 -1.515856779e+00 -1.751462529e+00 3.50 -8.172962797e-01 -1.470666724e+00 -1.703698031e+00 3.52 -7.868971919e-01 -1.424915199e+00 -1.654720661e+00 3.54 -7.579228778e-01 -1.378848954e+00 -1.604773619e+00 3.56 -7.302779215e-01 -1.332744250e+00 -1.554171441e+00 3.58 -7.038718489e-01 -1.286887413e+00 -1.503271665e+00 3.60 -6.786199159e-01 -1.241556735e+00 -1.452448080e+00 3.62 -6.544435200e-01 -1.197007391e+00 -1.402066769e+00 3.64 -6.312703504e-01 -1.153460375e+00 -1.352466455e+00 3.66 -6.090343478e-01 -1.111095847e+00 -1.303943922e+00 3.68 -5.876755130e-01 -1.070050650e+00 -1.256744650e+00 3.70 -5.671395931e-01 -1.030419356e+00 -1.211058343e+00 3.72 -5.473776739e-01 -9.922579481e-01 -1.167018758e+00 3.74 -5.283457124e-01 -9.555892161e-01 -1.124707051e+00 3.76 -5.100040435e-01 -9.204089923e-01 -1.084157724e+00 3.78 -4.923168920e-01 -8.866925125e-01 -1.045366203e+00 3.80 -4.752519148e-01 -8.544003520e-01 -1.008297076e+00 3.82 -4.587797857e-01 -8.234835572e-01 -9.728922015e-01 3.84 -4.428738311e-01 -7.938877523e-01 -9.390780480e-01 3.86 -4.275097146e-01 -7.655561414e-01 -9.067719277e-01 3.88 -4.126651645e-01 -7.384314616e-01 -8.758869690e-01 3.90 -3.983197376e-01 -7.124570537e-01 -8.463358646e-01 3.92 -3.844543369e-01 -6.875769449e-01 -8.180330729e-01 3.94 -3.710521673e-01 -6.637374201e-01 -7.908985038e-01 3.96 -3.580967440e-01 -6.408846316e-01 -7.648555184e-01 3.98 -3.455730165e-01 -6.189663124e-01 -7.398336081e-01 4.00 -3.334668722e-01 -5.979315146e-01 -7.157679644e-01 4.02 -3.217649988e-01 -5.777309342e-01 -6.925993681e-01 4.04 -3.104547603e-01 -5.583173108e-01 -6.702739134e-01 4.06 -2.995240898e-01 -5.396458236e-01 -6.487426370e-01 4.08 -2.889613988e-01 -5.216744151e-01 -6.279610977e-01 4.10 -2.787555034e-01 -5.043629654e-01 -6.078889437e-01 4.12 -2.688955662e-01 -4.876777320e-01 -5.884894876e-01 4.14 -2.593710529e-01 -4.715844316e-01 -5.697293061e-01 4.16 -2.501716998e-01 -4.560529815e-01 -5.515778728e-01 4.18 -2.412874919e-01 -4.410560092e-01 -5.340072298e-01 4.20 -2.327079609e-01 -4.265686212e-01 -5.169917017e-01 4.22 -2.244250608e-01 -4.125681510e-01 -5.005076526e-01 4.24 -2.164286022e-01 -3.990339065e-01 -4.845332875e-01 4.26 -2.087094677e-01 -3.859469265e-01 -4.690484950e-01 4.28 -2.012587515e-01 -3.732897550e-01 -4.540347311e-01 4.30 -1.940677584e-01 -3.610462373e-01 -4.394749375e-01 4.32 -1.871280018e-01 -3.492013399e-01 -4.253534887e-01 4.34 -1.804312019e-01 -3.377409941e-01 -4.116561579e-01 4.36 -1.739690932e-01 -3.266519617e-01 -3.983700867e-01 4.38 -1.677342176e-01 -3.159217210e-01 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-1.724860517e-01 -2.123792507e-01 4.76 -8.321760597e-02 -1.667321032e-01 -2.054783415e-01 4.78 -8.013043910e-02 -1.611623737e-01 -1.987997905e-01 4.80 -7.714188421e-02 -1.557701810e-01 -1.923352640e-01 4.82 -7.424728850e-02 -1.505509550e-01 -1.860769371e-01 4.84 -7.144215152e-02 -1.454983356e-01 -1.800174776e-01 4.86 -6.872213752e-02 -1.406068871e-01 -1.741500163e-01 4.88 -6.608310258e-02 -1.358713612e-01 -1.684681101e-01 4.90 -6.352112518e-02 -1.312866810e-01 -1.629657007e-01 4.92 -6.103254420e-02 -1.268479227e-01 -1.576370719e-01 4.94 -5.861400434e-02 -1.225502988e-01 -1.524768083e-01 4.96 -5.626250794e-02 -1.183891423e-01 -1.474797561e-01 4.98 -5.397547064e-02 -1.143598914e-01 -1.426409890e-01 5.00 -5.175077716e-02 -1.104580780e-01 -1.379557766e-01 5.02 -4.958683143e-02 -1.066793172e-01 -1.334195593e-01 5.04 -4.748259399e-02 -1.030193012e-01 -1.290279265e-01 5.06 -4.543759874e-02 -9.947379448e-02 -1.247765998e-01 5.08 -4.345194095e-02 -9.603863354e-02 -1.206614190e-01 5.10 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-6.568505111e-02 5.46 -1.755947951e-02 -4.717686334e-02 -6.348675563e-02 5.48 -1.672484697e-02 -4.531822987e-02 -6.135961078e-02 5.50 -1.592339848e-02 -4.352622117e-02 -5.930112231e-02 5.52 -1.515294548e-02 -4.180098372e-02 -5.730885088e-02 5.54 -1.441171050e-02 -4.014240804e-02 -5.538009669e-02 5.56 -1.369832384e-02 -3.855005019e-02 -5.351319339e-02 5.58 -1.301180187e-02 -3.702307804e-02 -5.170547832e-02 5.60 -1.235150822e-02 -3.556024598e-02 -4.995470024e-02 5.62 -1.171709961e-02 -3.415989798e-02 -4.825864584e-02 5.64 -1.110845916e-02 -3.281999614e-02 -4.661513640e-02 5.66 -1.052562104e-02 -3.153816931e-02 -4.502202444e-02 5.68 -9.968691202e-03 -3.031177508e-02 -4.347719050e-02 5.70 -9.437769798e-03 -2.913796855e-02 -4.197853997e-02 5.72 -8.932880560e-03 -2.801377140e-02 -4.052400034e-02 5.74 -8.453912221e-03 -2.693613570e-02 -3.911151576e-02 5.76 -8.000575551e-03 -2.590193269e-02 -3.773884496e-02 5.78 -7.572377999e-03 -2.490809116e-02 -3.640388689e-02 5.80 -7.168616059e-03 -2.395167821e-02 -3.510469439e-02 5.82 -6.788383806e-03 -2.302986619e-02 -3.383932845e-02 5.84 -6.430594671e-03 -2.213994386e-02 -3.260586085e-02 5.86 -6.094012799e-03 -2.127932913e-02 -3.140237802e-02 5.88 -5.777290095e-03 -2.044557664e-02 -3.022698669e-02 5.90 -5.479005344e-03 -1.963638175e-02 -2.907782167e-02 5.92 -5.197702411e-03 -1.884958275e-02 -2.795305593e-02 5.94 -4.931925343e-03 -1.808316243e-02 -2.685091351e-02 5.96 -4.680249012e-03 -1.733525035e-02 -2.576968236e-02 5.98 -4.441304665e-03 -1.660412659e-02 -2.470771551e-02 6.00 -4.213800388e-03 -1.588822770e-02 -2.366349936e-02