# 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 = CoNiW2 # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 2.600078983e+02 2.600078983e+02 1.30 2.387597623e+02 2.387597623e+02 1.32 2.192351339e+02 2.192351339e+02 1.34 2.012794360e+02 2.012794360e+02 1.36 1.847493015e+02 1.847493015e+02 1.38 1.695141399e+02 1.695141399e+02 1.40 1.554575851e+02 1.554575851e+02 1.42 1.424778562e+02 1.424778562e+02 1.44 1.304865341e+02 1.304865341e+02 1.46 1.194062197e+02 1.194062197e+02 1.48 1.091681295e+02 1.091681295e+02 1.50 9.971029905e+01 9.971029905e+01 1.52 9.097645898e+01 9.097645898e+01 1.54 8.291535438e+01 8.291535438e+01 1.56 7.548016502e+01 7.548016502e+01 1.58 6.862778044e+01 6.862778044e+01 1.60 6.231800771e+01 6.231800771e+01 1.62 5.651293139e+01 5.651293139e+01 1.64 5.117648971e+01 5.117648971e+01 1.66 4.627420060e+01 4.627420060e+01 1.68 4.177300436e+01 4.177300436e+01 1.70 3.764120895e+01 3.764120895e+01 1.72 3.384848411e+01 3.384848411e+01 1.74 3.036588968e+01 3.036588968e+01 1.76 2.716600521e+01 2.716600521e+01 1.78 2.422320731e+01 2.422320731e+01 1.80 2.151443541e+01 2.151443541e+01 1.82 1.901988419e+01 1.901988419e+01 1.84 1.672124643e+01 1.672124643e+01 1.86 1.460274743e+01 1.460274743e+01 1.88 1.265138620e+01 1.265138620e+01 1.90 1.085618140e+01 1.085618140e+01 1.92 9.206919103e+00 9.206919103e+00 1.94 7.694318049e+00 7.694318049e+00 1.96 6.309680539e+00 6.309680539e+00 1.98 5.044675574e+00 5.044675574e+00 2.00 3.891228137e+00 3.891228137e+00 2.02 2.841462463e+00 2.841462463e+00 2.04 1.887658711e+00 1.887658711e+00 2.06 1.022214065e+00 1.022214065e+00 2.08 2.376288581e-01 2.376288581e-01 2.10 -4.734546389e-01 -4.734546389e-01 2.12 -1.118149633e+00 -1.118149633e+00 2.14 -1.703173224e+00 -1.703173224e+00 2.16 -2.234681800e+00 -2.234681800e+00 2.18 -2.718137490e+00 -2.718137490e+00 2.20 -3.158241547e+00 -3.158241547e+00 2.22 -3.558949137e+00 -3.558949137e+00 2.24 -3.923555023e+00 -3.923555023e+00 2.26 -4.254822625e+00 -4.254822625e+00 2.28 -4.555125238e+00 -4.555125238e+00 2.30 -4.826574175e+00 -4.826574175e+00 2.32 -5.071117016e+00 -5.071117016e+00 2.34 -5.290596804e+00 -5.290596804e+00 2.36 -5.486771495e+00 -5.486771495e+00 2.38 -5.661218044e+00 -5.661218044e+00 2.40 -5.815379449e+00 -5.815379449e+00 2.42 -5.950878671e+00 -5.950878671e+00 2.44 -6.069166638e+00 -6.069166638e+00 2.46 -6.171528345e+00 -6.171528345e+00 2.48 -6.259110056e+00 -6.259110056e+00 2.50 -6.332943349e+00 -6.332943349e+00 2.52 -6.393954350e+00 -6.393954350e+00 2.54 -6.442641039e+00 -6.442641039e+00 2.56 -6.479062631e+00 -6.479062631e+00 2.58 -6.503341555e+00 -6.503341555e+00 2.60 -6.515673666e+00 -6.515673666e+00 2.62 -6.516305216e+00 -6.516305216e+00 2.64 -6.505513606e+00 -6.505513606e+00 2.66 -6.483594367e+00 -6.483594367e+00 2.68 -6.450856425e+00 -6.450856425e+00 2.70 -6.407624719e+00 -6.407624719e+00 2.72 -6.354246203e+00 -6.354246203e+00 2.74 -6.291094589e+00 -6.291094589e+00 2.76 -6.218574972e+00 -6.218574972e+00 2.78 -6.137152747e+00 -6.137152747e+00 2.80 -6.047250228e+00 -6.047250228e+00 2.82 -5.949298418e+00 -5.949298418e+00 2.84 -5.843764542e+00 -5.843764542e+00 2.86 -5.731161812e+00 -5.731161812e+00 2.88 -5.612064213e+00 -5.612064213e+00 2.90 -5.487123005e+00 -5.487123005e+00 2.92 -5.357066207e+00 -5.357066207e+00 2.94 -5.222603823e+00 -5.222603823e+00 2.96 -5.084466239e+00 -5.084466239e+00 2.98 -4.943489458e+00 -4.943489458e+00 3.00 -4.800591843e+00 -4.800591843e+00 3.02 -4.656726957e+00 -4.656726957e+00 3.04 -4.512829899e+00 -4.512829899e+00 3.06 -4.369762858e+00 -4.369762858e+00 3.08 -4.228266499e+00 -4.228266499e+00 3.10 -4.088923153e+00 -4.088923153e+00 3.12 -3.952135895e+00 -3.952135895e+00 3.14 -3.818124768e+00 -3.818124768e+00 3.16 -3.686938624e+00 -3.686938624e+00 3.18 -3.558479050e+00 -3.558479050e+00 3.20 -3.432531986e+00 -3.432531986e+00 3.22 -3.308802872e+00 -3.308802872e+00 3.24 -3.186952036e+00 -3.186952036e+00 3.26 -3.066628143e+00 -3.066628143e+00 3.28 -2.947498499e+00 -2.947498499e+00 3.30 -2.829275648e+00 -2.829275648e+00 3.32 -2.711740013e+00 -2.711740013e+00 3.34 -2.594758335e+00 -2.594758335e+00 3.36 -2.478297472e+00 -2.478297472e+00 3.38 -2.362432880e+00 -2.362432880e+00 3.40 -2.247350969e+00 -2.247350969e+00 3.42 -2.133344553e+00 -2.133344553e+00 3.44 -2.020800966e+00 -2.020800966e+00 3.46 -1.910183046e+00 -1.910183046e+00 3.48 -1.802003973e+00 -1.802003973e+00 3.50 -1.696797809e+00 -1.696797809e+00 3.52 -1.595088292e+00 -1.595088292e+00 3.54 -1.497358745e+00 -1.497358745e+00 3.56 -1.404025893e+00 -1.404025893e+00 3.58 -1.315419834e+00 -1.315419834e+00 3.60 -1.231771547e+00 -1.231771547e+00 3.62 -1.153208311e+00 -1.153208311e+00 3.64 -1.079756494e+00 -1.079756494e+00 3.66 -1.011350405e+00 -1.011350405e+00 3.68 -9.478455297e-01 -9.478455297e-01 3.70 -8.890343246e-01 -8.890343246e-01 3.72 -8.346628875e-01 -8.346628875e-01 3.74 -7.844471347e-01 -7.844471347e-01 3.76 -7.380874593e-01 -7.380874593e-01 3.78 -6.952812174e-01 -6.952812174e-01 3.80 -6.557326910e-01 -6.557326910e-01 3.82 -6.191604203e-01 -6.191604203e-01 3.84 -5.853019837e-01 -5.853019837e-01 3.86 -5.539164486e-01 -5.539164486e-01 3.88 -5.247848375e-01 -5.247848375e-01 3.90 -4.977090532e-01 -4.977090532e-01 3.92 -4.725097738e-01 -4.725097738e-01 3.94 -4.490238415e-01 -4.490238415e-01 3.96 -4.271016187e-01 -4.271016187e-01 3.98 -4.066046723e-01 -4.066046723e-01 4.00 -3.874039948e-01 -3.874039948e-01 4.02 -3.693788217e-01 -3.693788217e-01 4.04 -3.524159787e-01 -3.524159787e-01 4.06 -3.364096276e-01 -3.364096276e-01 4.08 -3.212612579e-01 -3.212612579e-01 4.10 -3.068797937e-01 -3.068797937e-01 4.12 -2.931817244e-01 -2.931817244e-01 4.14 -2.800912098e-01 -2.800912098e-01 4.16 -2.675401143e-01 -2.675401143e-01 4.18 -2.554678745e-01 -2.554678745e-01 4.20 -2.438219465e-01 -2.438219465e-01 4.22 -2.325573476e-01 -2.325573476e-01 4.24 -2.216364286e-01 -2.216364286e-01 4.26 -2.110286469e-01 -2.110286469e-01 4.28 -2.007102299e-01 -2.007102299e-01 4.30 -1.906637470e-01 -1.906637470e-01 4.32 -1.808776300e-01 -1.808776300e-01 4.34 -1.713456847e-01 -1.713456847e-01 4.36 -1.620666316e-01 -1.620666316e-01 4.38 -1.530435664e-01 -1.530435664e-01 4.40 -1.442836853e-01 -1.442836853e-01 4.42 -1.357980587e-01 -1.357980587e-01 4.44 -1.276006566e-01 -1.276006566e-01 4.46 -1.197075013e-01 -1.197075013e-01 4.48 -1.121355600e-01 -1.121355600e-01 4.50 -1.049014040e-01 -1.049014040e-01 4.52 -9.801974033e-02 -9.801974033e-02 4.54 -9.150197396e-02 -9.150197396e-02 4.56 -8.535497540e-02 -8.535497540e-02 4.58 -7.958020551e-02 -7.958020551e-02 4.60 -7.417329484e-02 -7.417329484e-02 4.62 -6.912410385e-02 -6.912410385e-02 4.64 -6.441722248e-02 -6.441722248e-02 4.66 -6.003281614e-02 -6.003281614e-02 4.68 -5.594769894e-02 -5.594769894e-02 4.70 -5.213651323e-02 -5.213651323e-02 4.72 -4.857291086e-02 -4.857291086e-02 4.74 -4.523065853e-02 -4.523065853e-02 4.76 -4.208461734e-02 -4.208461734e-02 4.78 -3.911157063e-02 -3.911157063e-02 4.80 -3.629088991e-02 -3.629088991e-02 4.82 -3.360503732e-02 -3.360503732e-02 4.84 -3.103990122e-02 -3.103990122e-02 4.86 -2.858496377e-02 -2.858496377e-02 4.88 -2.623329212e-02 -2.623329212e-02 4.90 -2.398134678e-02 -2.398134678e-02 4.92 -2.182860662e-02 -2.182860662e-02 4.94 -1.977702288e-02 -1.977702288e-02 4.96 -1.783032020e-02 -1.783032020e-02 4.98 -1.599298580e-02 -1.599298580e-02 5.00 -1.427000290e-02 -1.427000290e-02 5.02 -1.266591677e-02 -1.266591677e-02 5.04 -1.118404212e-02 -1.118404212e-02 5.06 -9.826003919e-03 -9.826003919e-03 5.08 -8.591481237e-03 -8.591481237e-03 5.10 -7.478154814e-03 -7.478154814e-03 5.12 -6.481833812e-03 -6.481833812e-03 5.14 -5.596718981e-03 -5.596718981e-03 5.16 -4.815751301e-03 -4.815751301e-03 5.18 -4.130996049e-03 -4.130996049e-03 5.20 -3.534020014e-03 -3.534020014e-03 5.22 -3.016231068e-03 -3.016231068e-03 5.24 -2.569161514e-03 -2.569161514e-03 5.26 -2.184687540e-03 -2.184687540e-03 5.28 -1.855185440e-03 -1.855185440e-03 5.30 -1.573630787e-03 -1.573630787e-03 5.32 -1.333649768e-03 -1.333649768e-03 5.34 -1.129532823e-03 -1.129532823e-03 5.36 -9.562204422e-04 -9.562204422e-04 5.38 -8.092697706e-04 -8.092697706e-04 5.40 -6.848091872e-04 -6.848091872e-04 5.42 -5.794864676e-04 -5.794864676e-04 5.44 -4.904146790e-04 -4.904146790e-04 5.46 -4.151187374e-04 -4.151187374e-04 5.48 -3.514845549e-04 -3.514845549e-04 5.50 -2.977119433e-04 -2.977119433e-04 5.52 -2.522718734e-04 -2.522718734e-04 5.54 -2.138682912e-04 -2.138682912e-04 5.56 -1.814044243e-04 -1.814044243e-04 5.58 -1.539533422e-04 -1.539533422e-04 5.60 -1.307324360e-04 -1.307324360e-04 5.62 -1.110814385e-04 -1.110814385e-04 5.64 -9.444359076e-05 -9.444359076e-05 5.66 -8.034957407e-05 -8.034957407e-05 5.68 -6.840384738e-05 -6.840384738e-05 5.70 -5.827306319e-05 -5.827306319e-05 5.72 -4.967626739e-05 -4.967626739e-05 5.74 -4.237662307e-05 -4.237662307e-05 5.76 -3.617443118e-05 -3.617443118e-05 5.78 -3.090125129e-05 -3.090125129e-05 5.80 -2.641495296e-05 -2.641495296e-05 5.82 -2.259555299e-05 -2.259555299e-05 5.84 -1.934171493e-05 -1.934171493e-05 5.86 -1.656780631e-05 -1.656780631e-05 5.88 -1.420142483e-05 -1.420142483e-05 5.90 -1.218131876e-05 -1.218131876e-05 5.92 -1.045563846e-05 -1.045563846e-05 5.94 -8.980465987e-06 -8.980465987e-06 5.96 -7.718578171e-06 -7.718578171e-06 5.98 -6.638405736e-06 -6.638405736e-06 6.00 -5.713157022e-06 -5.713157022e-06