# 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 = CuMo2Ta # 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 2.675653658e+02 2.675653658e+02 1.30 2.473158644e+02 2.473158644e+02 1.32 2.286219044e+02 2.286219044e+02 1.34 2.113495852e+02 2.113495852e+02 1.36 1.953737770e+02 1.953737770e+02 1.38 1.805794884e+02 1.805794884e+02 1.40 1.668636675e+02 1.668636675e+02 1.42 1.541359381e+02 1.541359381e+02 1.44 1.423173431e+02 1.423173431e+02 1.46 1.313376791e+02 1.313376791e+02 1.48 1.211329388e+02 1.211329388e+02 1.50 1.116440445e+02 1.116440445e+02 1.52 1.028169613e+02 1.028169613e+02 1.54 9.460333336e+01 9.460333336e+01 1.56 8.696068783e+01 8.696068783e+01 1.58 7.985186415e+01 7.985186415e+01 1.60 7.324392033e+01 7.324392033e+01 1.62 6.710691141e+01 6.710691141e+01 1.64 6.141280266e+01 6.141280266e+01 1.66 5.613465903e+01 5.613465903e+01 1.68 5.124616767e+01 5.124616767e+01 1.70 4.672144359e+01 4.672144359e+01 1.72 4.253499830e+01 4.253499830e+01 1.74 3.866178291e+01 3.866178291e+01 1.76 3.507731215e+01 3.507731215e+01 1.78 3.175793453e+01 3.175793453e+01 1.80 2.868138303e+01 2.868138303e+01 1.82 2.583121087e+01 2.583121087e+01 1.84 2.319183025e+01 2.319183025e+01 1.86 2.075012920e+01 2.075012920e+01 1.88 1.849142198e+01 1.849142198e+01 1.90 1.640270568e+01 1.640270568e+01 1.92 1.447243563e+01 1.447243563e+01 1.94 1.269005109e+01 1.269005109e+01 1.96 1.104564967e+01 1.104564967e+01 1.98 9.529798330e+00 9.529798330e+00 2.00 8.133450847e+00 8.133450847e+00 2.02 6.847930624e+00 6.847930624e+00 2.04 5.664945135e+00 5.664945135e+00 2.06 4.576609763e+00 4.576609763e+00 2.08 3.575471198e+00 3.575471198e+00 2.10 2.654532354e+00 2.654532354e+00 2.12 1.807285600e+00 1.807285600e+00 2.14 1.027754863e+00 1.027754863e+00 2.16 3.105349103e-01 3.105349103e-01 2.18 -3.491916208e-01 -3.491916208e-01 2.20 -9.556755476e-01 -9.556755476e-01 2.22 -1.512664664e+00 -1.512664664e+00 2.24 -2.023499869e+00 -2.023499869e+00 2.26 -2.491226017e+00 -2.491226017e+00 2.28 -2.918697553e+00 -2.918697553e+00 2.30 -3.308661038e+00 -3.308661038e+00 2.32 -3.663801223e+00 -3.663801223e+00 2.34 -3.986745448e+00 -3.986745448e+00 2.36 -4.280032320e+00 -4.280032320e+00 2.38 -4.546061098e+00 -4.546061098e+00 2.40 -4.787041959e+00 -4.787041959e+00 2.42 -5.004962631e+00 -5.004962631e+00 2.44 -5.201577340e+00 -5.201577340e+00 2.46 -5.378415520e+00 -5.378415520e+00 2.48 -5.536803472e+00 -5.536803472e+00 2.50 -5.677866932e+00 -5.677866932e+00 2.52 -5.802528368e+00 -5.802528368e+00 2.54 -5.911758169e+00 -5.911758169e+00 2.56 -6.006425093e+00 -6.006425093e+00 2.58 -6.087298773e+00 -6.087298773e+00 2.60 -6.155073674e+00 -6.155073674e+00 2.62 -6.210374548e+00 -6.210374548e+00 2.64 -6.253578881e+00 -6.253578881e+00 2.66 -6.285384013e+00 -6.285384013e+00 2.68 -6.306508550e+00 -6.306508550e+00 2.70 -6.317541873e+00 -6.317541873e+00 2.72 -6.319083509e+00 -6.319083509e+00 2.74 -6.311746345e+00 -6.311746345e+00 2.76 -6.296144856e+00 -6.296144856e+00 2.78 -6.272884347e+00 -6.272884347e+00 2.80 -6.242414082e+00 -6.242414082e+00 2.82 -6.204779317e+00 -6.204779317e+00 2.84 -6.159999722e+00 -6.159999722e+00 2.86 -6.108153620e+00 -6.108153620e+00 2.88 -6.049384344e+00 -6.049384344e+00 2.90 -5.983907699e+00 -5.983907699e+00 2.92 -5.912073189e+00 -5.912073189e+00 2.94 -5.834425985e+00 -5.834425985e+00 2.96 -5.751227055e+00 -5.751227055e+00 2.98 -5.662782901e+00 -5.662782901e+00 3.00 -5.569463193e+00 -5.569463193e+00 3.02 -5.471668768e+00 -5.471668768e+00 3.04 -5.369798657e+00 -5.369798657e+00 3.06 -5.264219564e+00 -5.264219564e+00 3.08 -5.155246500e+00 -5.155246500e+00 3.10 -5.043155274e+00 -5.043155274e+00 3.12 -4.928151661e+00 -4.928151661e+00 3.14 -4.810360301e+00 -4.810360301e+00 3.16 -4.689835488e+00 -4.689835488e+00 3.18 -4.566578449e+00 -4.566578449e+00 3.20 -4.440559159e+00 -4.440559159e+00 3.22 -4.311740928e+00 -4.311740928e+00 3.24 -4.180106084e+00 -4.180106084e+00 3.26 -4.045681201e+00 -4.045681201e+00 3.28 -3.908560321e+00 -3.908560321e+00 3.30 -3.768924599e+00 -3.768924599e+00 3.32 -3.627056767e+00 -3.627056767e+00 3.34 -3.483348943e+00 -3.483348943e+00 3.36 -3.338302589e+00 -3.338302589e+00 3.38 -3.192519929e+00 -3.192519929e+00 3.40 -3.046686801e+00 -3.046686801e+00 3.42 -2.901547787e+00 -2.901547787e+00 3.44 -2.757875276e+00 -2.757875276e+00 3.46 -2.616434923e+00 -2.616434923e+00 3.48 -2.477950522e+00 -2.477950522e+00 3.50 -2.343071493e+00 -2.343071493e+00 3.52 -2.212346002e+00 -2.212346002e+00 3.54 -2.086202075e+00 -2.086202075e+00 3.56 -1.964938129e+00 -1.964938129e+00 3.58 -1.848723231e+00 -1.848723231e+00 3.60 -1.737606331e+00 -1.737606331e+00 3.62 -1.631532866e+00 -1.631532866e+00 3.64 -1.530366550e+00 -1.530366550e+00 3.66 -1.433914005e+00 -1.433914005e+00 3.68 -1.341949883e+00 -1.341949883e+00 3.70 -1.254240457e+00 -1.254240457e+00 3.72 -1.170564012e+00 -1.170564012e+00 3.74 -1.090726806e+00 -1.090726806e+00 3.76 -1.014573819e+00 -1.014573819e+00 3.78 -9.419939438e-01 -9.419939438e-01 3.80 -8.729197143e-01 -8.729197143e-01 3.82 -8.073220882e-01 -8.073220882e-01 3.84 -7.452012401e-01 -7.452012401e-01 3.86 -6.865746444e-01 -6.865746444e-01 3.88 -6.314639631e-01 -6.314639631e-01 3.90 -5.798822951e-01 -5.798822951e-01 3.92 -5.318231786e-01 -5.318231786e-01 3.94 -4.872523893e-01 -4.872523893e-01 3.96 -4.461030994e-01 -4.461030994e-01 3.98 -4.082744643e-01 -4.082744643e-01 4.00 -3.736332690e-01 -3.736332690e-01 4.02 -3.420179628e-01 -3.420179628e-01 4.04 -3.132442762e-01 -3.132442762e-01 4.06 -2.871116421e-01 -2.871116421e-01 4.08 -2.634095912e-01 -2.634095912e-01 4.10 -2.419240420e-01 -2.419240420e-01 4.12 -2.224427431e-01 -2.224427431e-01 4.14 -2.047593182e-01 -2.047593182e-01 4.16 -1.886769093e-01 -1.886769093e-01 4.18 -1.740112016e-01 -1.740112016e-01 4.20 -1.605917658e-01 -1.605917658e-01 4.22 -1.482633226e-01 -1.482633226e-01 4.24 -1.368865054e-01 -1.368865054e-01 4.26 -1.263382267e-01 -1.263382267e-01 4.28 -1.165117462e-01 -1.165117462e-01 4.30 -1.073164934e-01 -1.073164934e-01 4.32 -9.867766269e-02 -9.867766269e-02 4.34 -9.053556270e-02 -9.053556270e-02 4.36 -8.284468398e-02 -8.284468398e-02 4.38 -7.557244426e-02 -7.557244426e-02 4.40 -6.869758661e-02 -6.869758661e-02 4.42 -6.220824137e-02 -6.220824137e-02 4.44 -5.609971112e-02 -5.609971112e-02 4.46 -5.037208971e-02 -5.037208971e-02 4.48 -4.502787102e-02 -4.502787102e-02 4.50 -4.006973327e-02 -4.006973327e-02 4.52 -3.549863905e-02 -3.549863905e-02 4.54 -3.131241070e-02 -3.131241070e-02 4.56 -2.750482805e-02 -2.750482805e-02 4.58 -2.406529139e-02 -2.406529139e-02 4.60 -2.097896648e-02 -2.097896648e-02 4.62 -1.822729688e-02 -1.822729688e-02 4.64 -1.578851018e-02 -1.578851018e-02 4.66 -1.363879873e-02 -1.363879873e-02 4.68 -1.175381748e-02 -1.175381748e-02 4.70 -1.010872340e-02 -1.010872340e-02 4.72 -8.678947136e-03 -8.678947136e-03 4.74 -7.440815256e-03 -7.440815256e-03 4.76 -6.372000651e-03 -6.372000651e-03 4.78 -5.451816854e-03 -5.451816854e-03 4.80 -4.661379884e-03 -4.661379884e-03 4.82 -3.983664964e-03 -3.983664964e-03 4.84 -3.403482900e-03 -3.403482900e-03 4.86 -2.907401391e-03 -2.907401391e-03 4.88 -2.483629425e-03 -2.483629425e-03 4.90 -2.121880905e-03 -2.121880905e-03 4.92 -1.813229173e-03 -1.813229173e-03 4.94 -1.549960914e-03 -1.549960914e-03 4.96 -1.325435209e-03 -1.325435209e-03 4.98 -1.133951409e-03 -1.133951409e-03 5.00 -9.706278778e-04 -9.706278778e-04 5.02 -8.312925360e-04 -8.312925360e-04 5.04 -7.123853085e-04 -7.123853085e-04 5.06 -6.108720721e-04 -6.108720721e-04 5.08 -5.241693647e-04 -5.241693647e-04 5.10 -4.500789475e-04 -4.500789475e-04 5.12 -3.867312362e-04 -3.867312362e-04 5.14 -3.325366120e-04 -3.325366120e-04 5.16 -2.861436645e-04 -2.861436645e-04 5.18 -2.464034822e-04 -2.464034822e-04 5.20 -2.123391843e-04 -2.123391843e-04 5.22 -1.831199737e-04 -1.831199737e-04 5.24 -1.580390716e-04 -1.580390716e-04 5.26 -1.364949741e-04 -1.364949741e-04 5.28 -1.179755444e-04 -1.179755444e-04 5.30 -1.020445189e-04 -1.020445189e-04 5.32 -8.833006583e-05 -8.833006583e-05 5.34 -7.651508686e-05 -7.651508686e-05 5.36 -6.632899609e-05 -6.632899609e-05 5.38 -5.754075136e-05 -5.754075136e-05 5.40 -4.995294625e-05 -4.995294625e-05 5.42 -4.339680004e-05 -4.339680004e-05 5.44 -3.772790781e-05 -3.772790781e-05 5.46 -3.282263398e-05 -3.282263398e-05 5.48 -2.857505050e-05 -2.857505050e-05 5.50 -2.489433608e-05 -2.489433608e-05 5.52 -2.170256605e-05 -2.170256605e-05 5.54 -1.893283295e-05 -1.893283295e-05 5.56 -1.652764745e-05 -1.652764745e-05 5.58 -1.443757703e-05 -1.443757703e-05 5.60 -1.262008622e-05 -1.262008622e-05 5.62 -1.103854797e-05 -1.103854797e-05 5.64 -9.661400337e-06 -9.661400337e-06 5.66 -8.461426623e-06 -8.461426623e-06 5.68 -7.415140479e-06 -7.415140479e-06 5.70 -6.502260302e-06 -6.502260302e-06 5.72 -5.705259651e-06 -5.705259651e-06 5.74 -5.008982412e-06 -5.008982412e-06 5.76 -4.400313154e-06 -4.400313154e-06 5.78 -3.867894566e-06 -3.867894566e-06 5.80 -3.401885083e-06 -3.401885083e-06 5.82 -2.993750828e-06 -2.993750828e-06 5.84 -2.636086901e-06 -2.636086901e-06 5.86 -2.322463753e-06 -2.322463753e-06 5.88 -2.047295048e-06 -2.047295048e-06 5.90 -1.805723908e-06 -1.805723908e-06 5.92 -1.593524944e-06 -1.593524944e-06 5.94 -1.407019789e-06 -1.407019789e-06 5.96 -1.243004260e-06 -1.243004260e-06 5.98 -1.098685479e-06 -1.098685479e-06 6.00 -9.716275603e-07 -9.716275603e-07