# 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 = CuMg2Ta # 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 3.420643628e+02 3.420643628e+02 1.30 3.168702365e+02 3.168702365e+02 1.32 2.935725321e+02 2.935725321e+02 1.34 2.720162306e+02 2.720162306e+02 1.36 2.520619890e+02 2.520619890e+02 1.38 2.335847535e+02 2.335847535e+02 1.40 2.164715759e+02 2.164715759e+02 1.42 2.006193054e+02 2.006193054e+02 1.44 1.859323985e+02 1.859323985e+02 1.46 1.723210710e+02 1.723210710e+02 1.48 1.597001996e+02 1.597001996e+02 1.50 1.479892879e+02 1.479892879e+02 1.52 1.371133487e+02 1.371133487e+02 1.54 1.270040101e+02 1.270040101e+02 1.56 1.176001446e+02 1.176001446e+02 1.58 1.088477667e+02 1.088477667e+02 1.60 1.006993589e+02 1.006993589e+02 1.62 9.311288292e+01 9.311288292e+01 1.64 8.605089484e+01 8.605089484e+01 1.66 7.948347046e+01 7.948347046e+01 1.68 7.338021120e+01 7.338021120e+01 1.70 6.771078687e+01 6.771078687e+01 1.72 6.244646141e+01 6.244646141e+01 1.74 5.755972022e+01 5.755972022e+01 1.76 5.302434927e+01 5.302434927e+01 1.78 4.881584646e+01 4.881584646e+01 1.80 4.491121468e+01 4.491121468e+01 1.82 4.128902505e+01 4.128902505e+01 1.84 3.792938555e+01 3.792938555e+01 1.86 3.481382548e+01 3.481382548e+01 1.88 3.192512824e+01 3.192512824e+01 1.90 2.924716722e+01 2.924716722e+01 1.92 2.676477204e+01 2.676477204e+01 1.94 2.446364074e+01 2.446364074e+01 1.96 2.233029997e+01 2.233029997e+01 1.98 2.035210893e+01 2.035210893e+01 2.00 1.851729036e+01 1.851729036e+01 2.02 1.681497189e+01 1.681497189e+01 2.04 1.523522340e+01 1.523522340e+01 2.06 1.376906955e+01 1.376906955e+01 2.08 1.240845791e+01 1.240845791e+01 2.10 1.114618127e+01 1.114618127e+01 2.12 9.975766030e+00 9.975766030e+00 2.14 8.891349143e+00 8.891349143e+00 2.16 7.887562493e+00 7.887562493e+00 2.18 6.959429411e+00 6.959429411e+00 2.20 6.102277995e+00 6.102277995e+00 2.22 5.311666751e+00 5.311666751e+00 2.24 4.583326901e+00 4.583326901e+00 2.26 3.913119533e+00 3.913119533e+00 2.28 3.297024908e+00 3.297024908e+00 2.30 2.731232862e+00 2.731232862e+00 2.32 2.211692696e+00 2.211692696e+00 2.34 1.734424237e+00 1.734424237e+00 2.36 1.295659331e+00 1.295659331e+00 2.38 8.919093596e-01 8.919093596e-01 2.40 5.200683152e-01 5.200683152e-01 2.42 1.777964583e-01 1.777964583e-01 2.44 -1.368600807e-01 -1.368600807e-01 2.46 -4.257600860e-01 -4.257600860e-01 2.48 -6.906495202e-01 -6.906495202e-01 2.50 -9.331519577e-01 -9.331519577e-01 2.52 -1.154768672e+00 -1.154768672e+00 2.54 -1.356885649e+00 -1.356885649e+00 2.56 -1.540784648e+00 -1.540784648e+00 2.58 -1.707656140e+00 -1.707656140e+00 2.60 -1.858612788e+00 -1.858612788e+00 2.62 -1.994702062e+00 -1.994702062e+00 2.64 -2.116919155e+00 -2.116919155e+00 2.66 -2.226213072e+00 -2.226213072e+00 2.68 -2.323493328e+00 -2.323493328e+00 2.70 -2.409805737e+00 -2.409805737e+00 2.72 -2.485970552e+00 -2.485970552e+00 2.74 -2.552528579e+00 -2.552528579e+00 2.76 -2.610012217e+00 -2.610012217e+00 2.78 -2.658933773e+00 -2.658933773e+00 2.80 -2.699778359e+00 -2.699778359e+00 2.82 -2.732998864e+00 -2.732998864e+00 2.84 -2.759018242e+00 -2.759018242e+00 2.86 -2.778244675e+00 -2.778244675e+00 2.88 -2.791086905e+00 -2.791086905e+00 2.90 -2.797936873e+00 -2.797936873e+00 2.92 -2.799172337e+00 -2.799172337e+00 2.94 -2.795160683e+00 -2.795160683e+00 2.96 -2.786260148e+00 -2.786260148e+00 2.98 -2.772818896e+00 -2.772818896e+00 3.00 -2.755172691e+00 -2.755172691e+00 3.02 -2.733642030e+00 -2.733642030e+00 3.04 -2.708529276e+00 -2.708529276e+00 3.06 -2.680117980e+00 -2.680117980e+00 3.08 -2.648670728e+00 -2.648670728e+00 3.10 -2.614431428e+00 -2.614431428e+00 3.12 -2.577627048e+00 -2.577627048e+00 3.14 -2.538473453e+00 -2.538473453e+00 3.16 -2.497177242e+00 -2.497177242e+00 3.18 -2.453943634e+00 -2.453943634e+00 3.20 -2.408981709e+00 -2.408981709e+00 3.22 -2.362509851e+00 -2.362509851e+00 3.24 -2.314759995e+00 -2.314759995e+00 3.26 -2.265979819e+00 -2.265979819e+00 3.28 -2.216432069e+00 -2.216432069e+00 3.30 -2.166390505e+00 -2.166390505e+00 3.32 -2.116132548e+00 -2.116132548e+00 3.34 -2.065929378e+00 -2.065929378e+00 3.36 -2.016034873e+00 -2.016034873e+00 3.38 -1.966697492e+00 -1.966697492e+00 3.40 -1.918116117e+00 -1.918116117e+00 3.42 -1.870403939e+00 -1.870403939e+00 3.44 -1.823635076e+00 -1.823635076e+00 3.46 -1.777845151e+00 -1.777845151e+00 3.48 -1.733033992e+00 -1.733033992e+00 3.50 -1.689170349e+00 -1.689170349e+00 3.52 -1.646197770e+00 -1.646197770e+00 3.54 -1.604027831e+00 -1.604027831e+00 3.56 -1.562491468e+00 -1.562491468e+00 3.58 -1.521396044e+00 -1.521396044e+00 3.60 -1.480556035e+00 -1.480556035e+00 3.62 -1.439797235e+00 -1.439797235e+00 3.64 -1.398961299e+00 -1.398961299e+00 3.66 -1.357910528e+00 -1.357910528e+00 3.68 -1.316532906e+00 -1.316532906e+00 3.70 -1.274747294e+00 -1.274747294e+00 3.72 -1.232508504e+00 -1.232508504e+00 3.74 -1.189811825e+00 -1.189811825e+00 3.76 -1.146696413e+00 -1.146696413e+00 3.78 -1.103246881e+00 -1.103246881e+00 3.80 -1.059592439e+00 -1.059592439e+00 3.82 -1.015903113e+00 -1.015903113e+00 3.84 -9.723828607e-01 -9.723828607e-01 3.86 -9.292598362e-01 -9.292598362e-01 3.88 -8.867744991e-01 -8.867744991e-01 3.90 -8.451666412e-01 -8.451666412e-01 3.92 -8.046624372e-01 -8.046624372e-01 3.94 -7.654639319e-01 -7.654639319e-01 3.96 -7.277390522e-01 -7.277390522e-01 3.98 -6.916168174e-01 -6.916168174e-01 4.00 -6.571847461e-01 -6.571847461e-01 4.02 -6.244894895e-01 -6.244894895e-01 4.04 -5.935398881e-01 -5.935398881e-01 4.06 -5.643117247e-01 -5.643117247e-01 4.08 -5.367534403e-01 -5.367534403e-01 4.10 -5.107915233e-01 -5.107915233e-01 4.12 -4.863391176e-01 -4.863391176e-01 4.14 -4.632970668e-01 -4.632970668e-01 4.16 -4.415616701e-01 -4.415616701e-01 4.18 -4.210278151e-01 -4.210278151e-01 4.20 -4.015922017e-01 -4.015922017e-01 4.22 -3.831559129e-01 -3.831559129e-01 4.24 -3.656264227e-01 -3.656264227e-01 4.26 -3.489191357e-01 -3.489191357e-01 4.28 -3.329585367e-01 -3.329585367e-01 4.30 -3.176790019e-01 -3.176790019e-01 4.32 -3.030252944e-01 -3.030252944e-01 4.34 -2.889527363e-01 -2.889527363e-01 4.36 -2.754270326e-01 -2.754270326e-01 4.38 -2.624237126e-01 -2.624237126e-01 4.40 -2.499271676e-01 -2.499271676e-01 4.42 -2.379292923e-01 -2.379292923e-01 4.44 -2.264277821e-01 -2.264277821e-01 4.46 -2.154241882e-01 -2.154241882e-01 4.48 -2.049218770e-01 -2.049218770e-01 4.50 -1.949240649e-01 -1.949240649e-01 4.52 -1.854320987e-01 -1.854320987e-01 4.54 -1.764441220e-01 -1.764441220e-01 4.56 -1.679542133e-01 -1.679542133e-01 4.58 -1.599520189e-01 -1.599520189e-01 4.60 -1.524228417e-01 -1.524228417e-01 4.62 -1.453480975e-01 -1.453480975e-01 4.64 -1.387060277e-01 -1.387060277e-01 4.66 -1.324725483e-01 -1.324725483e-01 4.68 -1.266221304e-01 -1.266221304e-01 4.70 -1.211286327e-01 -1.211286327e-01 4.72 -1.159660141e-01 -1.159660141e-01 4.74 -1.111089159e-01 -1.111089159e-01 4.76 -1.065331091e-01 -1.065331091e-01 4.78 -1.022157950e-01 -1.022157950e-01 4.80 -9.813537864e-02 -9.813537864e-02 4.82 -9.427325309e-02 -9.427325309e-02 4.84 -9.061112898e-02 -9.061112898e-02 4.86 -8.713285933e-02 -8.713285933e-02 4.88 -8.382385472e-02 -8.382385472e-02 4.90 -8.067094149e-02 -8.067094149e-02 4.92 -7.766195832e-02 -7.766195832e-02 4.94 -7.478631010e-02 -7.478631010e-02 4.96 -7.203455947e-02 -7.203455947e-02 4.98 -6.939817837e-02 -6.939817837e-02 5.00 -6.686944787e-02 -6.686944787e-02 5.02 -6.444136504e-02 -6.444136504e-02 5.04 -6.210755818e-02 -6.210755818e-02 5.06 -5.986221143e-02 -5.986221143e-02 5.08 -5.769999861e-02 -5.769999861e-02 5.10 -5.561602652e-02 -5.561602652e-02 5.12 -5.360578742e-02 -5.360578742e-02 5.14 -5.166511973e-02 -5.166511973e-02 5.16 -4.979017734e-02 -4.979017734e-02 5.18 -4.797740702e-02 -4.797740702e-02 5.20 -4.622353320e-02 -4.622353320e-02 5.22 -4.452554940e-02 -4.452554940e-02 5.24 -4.288071591e-02 -4.288071591e-02 5.26 -4.128656248e-02 -4.128656248e-02 5.28 -3.974089475e-02 -3.974089475e-02 5.30 -3.824180262e-02 -3.824180262e-02 5.32 -3.678766839e-02 -3.678766839e-02 5.34 -3.537717202e-02 -3.537717202e-02 5.36 -3.400929046e-02 -3.400929046e-02 5.38 -3.268328872e-02 -3.268328872e-02 5.40 -3.139869938e-02 -3.139869938e-02 5.42 -3.015528899e-02 -3.015528899e-02 5.44 -2.895301130e-02 -2.895301130e-02 5.46 -2.779194813e-02 -2.779194813e-02 5.48 -2.667224105e-02 -2.667224105e-02 5.50 -2.559401815e-02 -2.559401815e-02 5.52 -2.455732186e-02 -2.455732186e-02 5.54 -2.356204365e-02 -2.356204365e-02 5.56 -2.260787126e-02 -2.260787126e-02 5.58 -2.169425237e-02 -2.169425237e-02 5.60 -2.082037708e-02 -2.082037708e-02 5.62 -1.998517898e-02 -1.998517898e-02 5.64 -1.918735283e-02 -1.918735283e-02 5.66 -1.842538540e-02 -1.842538540e-02 5.68 -1.769759502e-02 -1.769759502e-02 5.70 -1.700217545e-02 -1.700217545e-02 5.72 -1.633724010e-02 -1.633724010e-02 5.74 -1.570086294e-02 -1.570086294e-02 5.76 -1.509108674e-02 -1.509108674e-02 5.78 -1.450599903e-02 -1.450599903e-02 5.80 -1.394375774e-02 -1.394375774e-02 5.82 -1.340258799e-02 -1.340258799e-02 5.84 -1.288079413e-02 -1.288079413e-02 5.86 -1.237676717e-02 -1.237676717e-02 5.88 -1.188898892e-02 -1.188898892e-02 5.90 -1.141603385e-02 -1.141603385e-02 5.92 -1.095656959e-02 -1.095656959e-02 5.94 -1.050935707e-02 -1.050935707e-02 5.96 -1.007325099e-02 -1.007325099e-02 5.98 -9.647201085e-03 -9.647201085e-03 6.00 -9.230254749e-03 -9.230254749e-03