# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Groger-R-Vitek-V-Dlouhy-A--Co-Cr-Fe-Mn-Ni # implementation = 2020--Groger-R--Co-Cr-Fe-Mn-Ni--LAMMPS--ipr1 # composition = FeMn2Ni # 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 2022-05-24 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 3.411120271e+04 3.411120271e+04 1.12 2.743861365e+04 2.743861365e+04 1.14 2.215285147e+04 2.215285147e+04 1.16 1.794886781e+04 1.794886781e+04 1.18 1.459233183e+04 1.459233183e+04 1.20 1.190241924e+04 1.190241924e+04 1.22 9.738984130e+03 9.738984130e+03 1.24 7.992947739e+03 7.992947739e+03 1.26 6.579064664e+03 6.579064664e+03 1.28 5.430451570e+03 5.430451570e+03 1.30 4.494429817e+03 4.494429817e+03 1.32 3.729355878e+03 3.729355878e+03 1.34 3.102191855e+03 3.102191855e+03 1.36 2.586635157e+03 2.586635157e+03 1.38 2.161675328e+03 2.161675328e+03 1.40 1.810474874e+03 1.810474874e+03 1.42 1.519497218e+03 1.519497218e+03 1.44 1.277825960e+03 1.277825960e+03 1.46 1.076632069e+03 1.076632069e+03 1.48 9.087543066e+02 9.087543066e+02 1.50 7.683682051e+02 7.683682051e+02 1.52 6.507231965e+02 6.507231965e+02 1.54 5.519343853e+02 5.519343853e+02 1.56 4.688165453e+02 4.688165453e+02 1.58 3.987514783e+02 3.987514783e+02 1.60 3.395822097e+02 3.395822097e+02 1.62 2.895273211e+02 2.895273211e+02 1.64 2.471116751e+02 2.471116751e+02 1.66 2.111113117e+02 2.111113117e+02 1.68 1.805085650e+02 1.805085650e+02 1.70 1.544555314e+02 1.544555314e+02 1.72 1.322444080e+02 1.322444080e+02 1.74 1.132832601e+02 1.132832601e+02 1.76 9.707598048e+01 9.707598048e+01 1.78 8.320579828e+01 8.320579828e+01 1.80 7.132207580e+01 7.132207580e+01 1.82 6.112938756e+01 6.112938756e+01 1.84 5.237829559e+01 5.237829559e+01 1.86 4.485789812e+01 4.485789812e+01 1.88 3.838966727e+01 3.838966727e+01 1.90 3.282228290e+01 3.282228290e+01 1.92 2.802733208e+01 2.802733208e+01 1.94 2.389554258e+01 2.389554258e+01 1.96 2.033363866e+01 2.033363866e+01 1.98 1.726180088e+01 1.726180088e+01 2.00 1.461179714e+01 1.461179714e+01 2.02 1.232527014e+01 1.232527014e+01 2.04 1.035225848e+01 1.035225848e+01 2.06 8.649845543e+00 8.649845543e+00 2.08 7.181182206e+00 7.181182206e+00 2.10 5.914598721e+00 5.914598721e+00 2.12 4.822832030e+00 4.822832030e+00 2.14 3.882395805e+00 3.882395805e+00 2.16 3.073047487e+00 3.073047487e+00 2.18 2.377336654e+00 2.377336654e+00 2.20 1.780221971e+00 1.780221971e+00 2.22 1.268706551e+00 1.268706551e+00 2.24 8.314263891e-01 8.314263891e-01 2.26 4.585081059e-01 4.585081059e-01 2.28 1.413991804e-01 1.413991804e-01 2.30 -1.273125932e-01 -1.273125932e-01 2.32 -3.540474851e-01 -3.540474851e-01 2.34 -5.443610963e-01 -5.443610963e-01 2.36 -7.031066840e-01 -7.031066840e-01 2.38 -8.345746722e-01 -8.345746722e-01 2.40 -9.425077881e-01 -9.425077881e-01 2.42 -1.030163657e+00 -1.030163657e+00 2.44 -1.100374386e+00 -1.100374386e+00 2.46 -1.155597671e+00 -1.155597671e+00 2.48 -1.197960625e+00 -1.197960625e+00 2.50 -1.229297338e+00 -1.229297338e+00 2.52 -1.251181056e+00 -1.251181056e+00 2.54 -1.264951710e+00 -1.264951710e+00 2.56 -1.271739568e+00 -1.271739568e+00 2.58 -1.272516436e+00 -1.272516436e+00 2.60 -1.268158495e+00 -1.268158495e+00 2.62 -1.259408535e+00 -1.259408535e+00 2.64 -1.246899203e+00 -1.246899203e+00 2.66 -1.231226613e+00 -1.231226613e+00 2.68 -1.212929614e+00 -1.212929614e+00 2.70 -1.192476331e+00 -1.192476331e+00 2.72 -1.170258489e+00 -1.170258489e+00 2.74 -1.146602867e+00 -1.146602867e+00 2.76 -1.121792847e+00 -1.121792847e+00 2.78 -1.096074268e+00 -1.096074268e+00 2.80 -1.069659961e+00 -1.069659961e+00 2.82 -1.042733636e+00 -1.042733636e+00 2.84 -1.015453216e+00 -1.015453216e+00 2.86 -9.879536796e-01 -9.879536796e-01 2.88 -9.603539622e-01 -9.603539622e-01 2.90 -9.327689273e-01 -9.327689273e-01 2.92 -9.053022917e-01 -9.053022917e-01 2.94 -8.780460614e-01 -8.780460614e-01 2.96 -8.510819068e-01 -8.510819068e-01 2.98 -8.244823151e-01 -8.244823151e-01 3.00 -7.983115503e-01 -7.983115503e-01 3.02 -7.726264406e-01 -7.726264406e-01 3.04 -7.474770180e-01 -7.474770180e-01 3.06 -7.229070243e-01 -7.229070243e-01 3.08 -6.989543026e-01 -6.989543026e-01 3.10 -6.756510861e-01 -6.756510861e-01 3.12 -6.530241969e-01 -6.530241969e-01 3.14 -6.310951670e-01 -6.310951670e-01 3.16 -6.098802371e-01 -6.098802371e-01 3.18 -5.893870020e-01 -5.893870020e-01 3.20 -5.696128879e-01 -5.696128879e-01 3.22 -5.505506845e-01 -5.505506845e-01 3.24 -5.321888770e-01 -5.321888770e-01 3.26 -5.145113909e-01 -5.145113909e-01 3.28 -4.974973038e-01 -4.974973038e-01 3.30 -4.811205280e-01 -4.811205280e-01 3.32 -4.653523229e-01 -4.653523229e-01 3.34 -4.501703287e-01 -4.501703287e-01 3.36 -4.355511279e-01 -4.355511279e-01 3.38 -4.214673183e-01 -4.214673183e-01 3.40 -4.078872265e-01 -4.078872265e-01 3.42 -3.947746059e-01 -3.947746059e-01 3.44 -3.820883242e-01 -3.820883242e-01 3.46 -3.697842153e-01 -3.697842153e-01 3.48 -3.578394089e-01 -3.578394089e-01 3.50 -3.462470139e-01 -3.462470139e-01 3.52 -3.350008428e-01 -3.350008428e-01 3.54 -3.240951020e-01 -3.240951020e-01 3.56 -3.135243523e-01 -3.135243523e-01 3.58 -3.032834649e-01 -3.032834649e-01 3.60 -2.933675715e-01 -2.933675715e-01 3.62 -2.837720124e-01 -2.837720124e-01 3.64 -2.744922794e-01 -2.744922794e-01 3.66 -2.655239570e-01 -2.655239570e-01 3.68 -2.568626604e-01 -2.568626604e-01 3.70 -2.485039710e-01 -2.485039710e-01 3.72 -2.404433707e-01 -2.404433707e-01 3.74 -2.326761736e-01 -2.326761736e-01 3.76 -2.251974566e-01 -2.251974566e-01 3.78 -2.180019889e-01 -2.180019889e-01 3.80 -2.110841600e-01 -2.110841600e-01 3.82 -2.044379066e-01 -2.044379066e-01 3.84 -1.980566395e-01 -1.980566395e-01 3.86 -1.919331690e-01 -1.919331690e-01 3.88 -1.860596299e-01 -1.860596299e-01 3.90 -1.804274061e-01 -1.804274061e-01 3.92 -1.750270549e-01 -1.750270549e-01 3.94 -1.698482308e-01 -1.698482308e-01 3.96 -1.648796087e-01 -1.648796087e-01 3.98 -1.601088079e-01 -1.601088079e-01 4.00 -1.555223147e-01 -1.555223147e-01 4.02 -1.511054055e-01 -1.511054055e-01 4.04 -1.468420702e-01 -1.468420702e-01 4.06 -1.427167183e-01 -1.427167183e-01 4.08 -1.387219616e-01 -1.387219616e-01 4.10 -1.348533335e-01 -1.348533335e-01 4.12 -1.311065234e-01 -1.311065234e-01 4.14 -1.274773714e-01 -1.274773714e-01 4.16 -1.239618632e-01 -1.239618632e-01 4.18 -1.205561255e-01 -1.205561255e-01 4.20 -1.172564217e-01 -1.172564217e-01 4.22 -1.140591471e-01 -1.140591471e-01 4.24 -1.109608244e-01 -1.109608244e-01 4.26 -1.079580999e-01 -1.079580999e-01 4.28 -1.050477389e-01 -1.050477389e-01 4.30 -1.022266216e-01 -1.022266216e-01 4.32 -9.949173927e-02 -9.949173927e-02 4.34 -9.684019041e-02 -9.684019041e-02 4.36 -9.426917675e-02 -9.426917675e-02 4.38 -9.177599976e-02 -9.177599976e-02 4.40 -8.935805703e-02 -8.935805703e-02 4.42 -8.701283889e-02 -8.701283889e-02 4.44 -8.473792499e-02 -8.473792499e-02 4.46 -8.253098117e-02 -8.253098117e-02 4.48 -8.038947110e-02 -8.038947110e-02 4.50 -7.830985056e-02 -7.830985056e-02 4.52 -7.628852204e-02 -7.628852204e-02 4.54 -7.432212901e-02 -7.432212901e-02 4.56 -7.240754768e-02 -7.240754768e-02 4.58 -7.054187876e-02 -7.054187876e-02 4.60 -6.872243926e-02 -6.872243926e-02 4.62 -6.694675442e-02 -6.694675442e-02 4.64 -6.521254961e-02 -6.521254961e-02 4.66 -6.351774237e-02 -6.351774237e-02 4.68 -6.186043444e-02 -6.186043444e-02 4.70 -6.023890387e-02 -6.023890387e-02 4.72 -5.865159721e-02 -5.865159721e-02 4.74 -5.709712165e-02 -5.709712165e-02 4.76 -5.557423737e-02 -5.557423737e-02 4.78 -5.408184979e-02 -5.408184979e-02 4.80 -5.261900192e-02 -5.261900192e-02 4.82 -5.118486680e-02 -5.118486680e-02 4.84 -4.977873990e-02 -4.977873990e-02 4.86 -4.840003165e-02 -4.840003165e-02 4.88 -4.704825990e-02 -4.704825990e-02 4.90 -4.572304256e-02 -4.572304256e-02 4.92 -4.442409016e-02 -4.442409016e-02 4.94 -4.315119848e-02 -4.315119848e-02 4.96 -4.190424126e-02 -4.190424126e-02 4.98 -4.068316290e-02 -4.068316290e-02 5.00 -3.948797117e-02 -3.948797117e-02 5.02 -3.831873004e-02 -3.831873004e-02 5.04 -3.717555244e-02 -3.717555244e-02 5.06 -3.605859314e-02 -3.605859314e-02 5.08 -3.496804157e-02 -3.496804157e-02 5.10 -3.390411474e-02 -3.390411474e-02 5.12 -3.286705014e-02 -3.286705014e-02 5.14 -3.185709872e-02 -3.185709872e-02 5.16 -3.087448618e-02 -3.087448618e-02 5.18 -2.991872838e-02 -2.991872838e-02 5.20 -2.898870292e-02 -2.898870292e-02 5.22 -2.808336920e-02 -2.808336920e-02 5.24 -2.720179026e-02 -2.720179026e-02 5.26 -2.634312217e-02 -2.634312217e-02 5.28 -2.550660347e-02 -2.550660347e-02 5.30 -2.469154465e-02 -2.469154465e-02 5.32 -2.389731757e-02 -2.389731757e-02 5.34 -2.312334488e-02 -2.312334488e-02 5.36 -2.236908946e-02 -2.236908946e-02 5.38 -2.163404390e-02 -2.163404390e-02 5.40 -2.091771990e-02 -2.091771990e-02 5.42 -2.021963771e-02 -2.021963771e-02 5.44 -1.953931560e-02 -1.953931560e-02 5.46 -1.887625925e-02 -1.887625925e-02 5.48 -1.822995124e-02 -1.822995124e-02 5.50 -1.759984046e-02 -1.759984046e-02 5.52 -1.698533156e-02 -1.698533156e-02 5.54 -1.638577436e-02 -1.638577436e-02 5.56 -1.580045335e-02 -1.580045335e-02 5.58 -1.522857706e-02 -1.522857706e-02 5.60 -1.466926755e-02 -1.466926755e-02 5.62 -1.412154983e-02 -1.412154983e-02 5.64 -1.358434128e-02 -1.358434128e-02 5.66 -1.305644113e-02 -1.305644113e-02 5.68 -1.253651987e-02 -1.253651987e-02 5.70 -1.202310870e-02 -1.202310870e-02 5.72 -1.151459274e-02 -1.151459274e-02 5.74 -1.100990689e-02 -1.100990689e-02 5.76 -1.050944054e-02 -1.050944054e-02 5.78 -1.001380219e-02 -1.001380219e-02 5.80 -9.523623741e-03 -9.523623741e-03 5.82 -9.039556278e-03 -9.039556278e-03 5.84 -8.562265926e-03 -8.562265926e-03 5.86 -8.092429665e-03 -8.092429665e-03 5.88 -7.630731157e-03 -7.630731157e-03 5.90 -7.177856573e-03 -7.177856573e-03 5.92 -6.734490420e-03 -6.734490420e-03 5.94 -6.301311365e-03 -6.301311365e-03 5.96 -5.878988062e-03 -5.878988062e-03 5.98 -5.468174981e-03 -5.468174981e-03 6.00 -5.069508232e-03 -5.069508232e-03