# 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 = CoCuMo2 # 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 1.988913502e+02 1.988913502e+02 1.30 1.831695533e+02 1.831695533e+02 1.32 1.686886831e+02 1.686886831e+02 1.34 1.553390495e+02 1.553390495e+02 1.36 1.430172103e+02 1.430172103e+02 1.38 1.316277616e+02 1.316277616e+02 1.40 1.210855670e+02 1.210855670e+02 1.42 1.113169892e+02 1.113169892e+02 1.44 1.022591743e+02 1.022591743e+02 1.46 9.385797255e+01 9.385797255e+01 1.48 8.606579762e+01 8.606579762e+01 1.50 7.884011929e+01 7.884011929e+01 1.52 7.214251040e+01 7.214251040e+01 1.54 6.593794579e+01 6.593794579e+01 1.56 6.019417664e+01 6.019417664e+01 1.58 5.488117807e+01 5.488117807e+01 1.60 4.997074474e+01 4.997074474e+01 1.62 4.543623084e+01 4.543623084e+01 1.64 4.125233464e+01 4.125233464e+01 1.66 3.739487264e+01 3.739487264e+01 1.68 3.384057959e+01 3.384057959e+01 1.70 3.056709594e+01 3.056709594e+01 1.72 2.755676275e+01 2.755676275e+01 1.74 2.478981315e+01 2.478981315e+01 1.76 2.224547785e+01 2.224547785e+01 1.78 1.990381034e+01 1.990381034e+01 1.80 1.774563185e+01 1.774563185e+01 1.82 1.575370363e+01 1.575370363e+01 1.84 1.391313158e+01 1.391313158e+01 1.86 1.221147974e+01 1.221147974e+01 1.88 1.063854128e+01 1.063854128e+01 1.90 9.185859319e+00 9.185859319e+00 1.92 7.846163397e+00 7.846163397e+00 1.94 6.612882400e+00 6.612882400e+00 1.96 5.479819503e+00 5.479819503e+00 1.98 4.440980295e+00 4.440980295e+00 2.00 3.490492920e+00 3.490492920e+00 2.02 2.622562445e+00 2.622562445e+00 2.04 1.831431500e+00 1.831431500e+00 2.06 1.111349501e+00 1.111349501e+00 2.08 4.565717300e-01 4.565717300e-01 2.10 -1.385909519e-01 -1.385909519e-01 2.12 -6.796688072e-01 -6.796688072e-01 2.14 -1.171895901e+00 -1.171895901e+00 2.16 -1.620073033e+00 -1.620073033e+00 2.18 -2.028466337e+00 -2.028466337e+00 2.20 -2.400765338e+00 -2.400765338e+00 2.22 -2.740105395e+00 -2.740105395e+00 2.24 -3.049141563e+00 -3.049141563e+00 2.26 -3.330150712e+00 -3.330150712e+00 2.28 -3.585137484e+00 -3.585137484e+00 2.30 -3.815923901e+00 -3.815923901e+00 2.32 -4.024209031e+00 -4.024209031e+00 2.34 -4.211594099e+00 -4.211594099e+00 2.36 -4.379579355e+00 -4.379579355e+00 2.38 -4.529547749e+00 -4.529547749e+00 2.40 -4.662751657e+00 -4.662751657e+00 2.42 -4.780097882e+00 -4.780097882e+00 2.44 -4.882588848e+00 -4.882588848e+00 2.46 -4.971426500e+00 -4.971426500e+00 2.48 -5.047663550e+00 -5.047663550e+00 2.50 -5.112231562e+00 -5.112231562e+00 2.52 -5.165961453e+00 -5.165961453e+00 2.54 -5.209599196e+00 -5.209599196e+00 2.56 -5.243816548e+00 -5.243816548e+00 2.58 -5.269011935e+00 -5.269011935e+00 2.60 -5.285226214e+00 -5.285226214e+00 2.62 -5.292522415e+00 -5.292522415e+00 2.64 -5.291044196e+00 -5.291044196e+00 2.66 -5.280922511e+00 -5.280922511e+00 2.68 -5.262295705e+00 -5.262295705e+00 2.70 -5.235338911e+00 -5.235338911e+00 2.72 -5.200262964e+00 -5.200262964e+00 2.74 -5.157311768e+00 -5.157311768e+00 2.76 -5.106757891e+00 -5.106757891e+00 2.78 -5.049065266e+00 -5.049065266e+00 2.80 -4.984534946e+00 -4.984534946e+00 2.82 -4.913278271e+00 -4.913278271e+00 2.84 -4.835453869e+00 -4.835453869e+00 2.86 -4.751311206e+00 -4.751311206e+00 2.88 -4.661198600e+00 -4.661198600e+00 2.90 -4.565568321e+00 -4.565568321e+00 2.92 -4.464977643e+00 -4.464977643e+00 2.94 -4.360084753e+00 -4.360084753e+00 2.96 -4.251650310e+00 -4.251650310e+00 2.98 -4.140500105e+00 -4.140500105e+00 3.00 -4.027480293e+00 -4.027480293e+00 3.02 -3.913417940e+00 -3.913417940e+00 3.04 -3.799079701e+00 -3.799079701e+00 3.06 -3.685133410e+00 -3.685133410e+00 3.08 -3.572117482e+00 -3.572117482e+00 3.10 -3.460421902e+00 -3.460421902e+00 3.12 -3.350282694e+00 -3.350282694e+00 3.14 -3.241789559e+00 -3.241789559e+00 3.16 -3.134904433e+00 -3.134904433e+00 3.18 -3.029487629e+00 -3.029487629e+00 3.20 -2.925328067e+00 -2.925328067e+00 3.22 -2.822174627e+00 -2.822174627e+00 3.24 -2.719766535e+00 -2.719766535e+00 3.26 -2.617861429e+00 -2.617861429e+00 3.28 -2.516260293e+00 -2.516260293e+00 3.30 -2.414828640e+00 -2.414828640e+00 3.32 -2.313513322e+00 -2.313513322e+00 3.34 -2.212354224e+00 -2.212354224e+00 3.36 -2.111490071e+00 -2.111490071e+00 3.38 -2.011157619e+00 -2.011157619e+00 3.40 -1.911683835e+00 -1.911683835e+00 3.42 -1.813471185e+00 -1.813471185e+00 3.44 -1.716976826e+00 -1.716976826e+00 3.46 -1.622687234e+00 -1.622687234e+00 3.48 -1.531090438e+00 -1.531090438e+00 3.50 -1.442648384e+00 -1.442648384e+00 3.52 -1.357771977e+00 -1.357771977e+00 3.54 -1.276800988e+00 -1.276800988e+00 3.56 -1.199990326e+00 -1.199990326e+00 3.58 -1.127503324e+00 -1.127503324e+00 3.60 -1.059411832e+00 -1.059411832e+00 3.62 -9.957021868e-01 -9.957021868e-01 3.64 -9.362856636e-01 -9.362856636e-01 3.66 -8.810118137e-01 -8.810118137e-01 3.68 -8.296831353e-01 -8.296831353e-01 3.70 -7.820697350e-01 -7.820697350e-01 3.72 -7.379229452e-01 -7.379229452e-01 3.74 -6.969871795e-01 -6.969871795e-01 3.76 -6.590096040e-01 -6.590096040e-01 3.78 -6.237474400e-01 -6.237474400e-01 3.80 -5.909729085e-01 -5.909729085e-01 3.82 -5.604759759e-01 -5.604759759e-01 3.84 -5.320651867e-01 -5.320651867e-01 3.86 -5.055669749e-01 -5.055669749e-01 3.88 -4.808239136e-01 -4.808239136e-01 3.90 -4.576923929e-01 -4.576923929e-01 3.92 -4.360401791e-01 -4.360401791e-01 3.94 -4.157442184e-01 -4.157442184e-01 3.96 -3.966889167e-01 -3.966889167e-01 3.98 -3.787649819e-01 -3.787649819e-01 4.00 -3.618687969e-01 -3.618687969e-01 4.02 -3.459022094e-01 -3.459022094e-01 4.04 -3.307725959e-01 -3.307725959e-01 4.06 -3.163930684e-01 -3.163930684e-01 4.08 -3.026827225e-01 -3.026827225e-01 4.10 -2.895668751e-01 -2.895668751e-01 4.12 -2.769772716e-01 -2.769772716e-01 4.14 -2.648521739e-01 -2.648521739e-01 4.16 -2.531366140e-01 -2.531366140e-01 4.18 -2.417828462e-01 -2.417828462e-01 4.20 -2.307501559e-01 -2.307501559e-01 4.22 -2.200050480e-01 -2.200050480e-01 4.24 -2.095213776e-01 -2.095213776e-01 4.26 -1.992803702e-01 -1.992803702e-01 4.28 -1.892704956e-01 -1.892704956e-01 4.30 -1.794871687e-01 -1.794871687e-01 4.32 -1.699322669e-01 -1.699322669e-01 4.34 -1.606134678e-01 -1.606134678e-01 4.36 -1.515434182e-01 -1.515434182e-01 4.38 -1.427386068e-01 -1.427386068e-01 4.40 -1.342185236e-01 -1.342185236e-01 4.42 -1.260043771e-01 -1.260043771e-01 4.44 -1.181175311e-01 -1.181175311e-01 4.46 -1.105780781e-01 -1.105780781e-01 4.48 -1.034034292e-01 -1.034034292e-01 4.50 -9.660702553e-02 -9.660702553e-02 4.52 -9.019729080e-02 -9.019729080e-02 4.54 -8.417692757e-02 -8.417692757e-02 4.56 -7.854262061e-02 -7.854262061e-02 4.58 -7.328515997e-02 -7.328515997e-02 4.60 -6.838994316e-02 -6.838994316e-02 4.62 -6.383777597e-02 -6.383777597e-02 4.64 -5.960586940e-02 -5.960586940e-02 4.66 -5.566892787e-02 -5.566892787e-02 4.68 -5.200023779e-02 -5.200023779e-02 4.70 -4.857268679e-02 -4.857268679e-02 4.72 -4.535967769e-02 -4.535967769e-02 4.74 -4.233590725e-02 -4.233590725e-02 4.76 -3.947801183e-02 -3.947801183e-02 4.78 -3.676508818e-02 -3.676508818e-02 4.80 -3.417909668e-02 -3.417909668e-02 4.82 -3.170515394e-02 -3.170515394e-02 4.84 -2.933170569e-02 -2.933170569e-02 4.86 -2.705058966e-02 -2.705058966e-02 4.88 -2.485696132e-02 -2.485696132e-02 4.90 -2.274907117e-02 -2.274907117e-02 4.92 -2.072788750e-02 -2.072788750e-02 4.94 -1.879657007e-02 -1.879657007e-02 4.96 -1.695979806e-02 -1.695979806e-02 4.98 -1.522278211e-02 -1.522278211e-02 5.00 -1.359114472e-02 -1.359114472e-02 5.02 -1.206995904e-02 -1.206995904e-02 5.04 -1.066300368e-02 -1.066300368e-02 5.06 -9.372338439e-03 -9.372338439e-03 5.08 -8.198073454e-03 -8.198073454e-03 5.10 -7.138332234e-03 -7.138332234e-03 5.12 -6.189384845e-03 -6.189384845e-03 5.14 -5.345910251e-03 -5.345910251e-03 5.16 -4.601339022e-03 -4.601339022e-03 5.18 -3.948228582e-03 -3.948228582e-03 5.20 -3.378630652e-03 -3.378630652e-03 5.22 -2.884421539e-03 -2.884421539e-03 5.24 -2.457577670e-03 -2.457577670e-03 5.26 -2.090389176e-03 -2.090389176e-03 5.28 -1.775612282e-03 -1.775612282e-03 5.30 -1.506566579e-03 -1.506566579e-03 5.32 -1.277186049e-03 -1.277186049e-03 5.34 -1.082033680e-03 -1.082033680e-03 5.36 -9.162891349e-04 -9.162891349e-04 5.38 -7.757178218e-04 -7.757178218e-04 5.40 -6.566282665e-04 -6.566282665e-04 5.42 -5.558231880e-04 -5.558231880e-04 5.44 -4.705482778e-04 -4.705482778e-04 5.46 -3.984415086e-04 -3.984415086e-04 5.48 -3.374848374e-04 -3.374848374e-04 5.50 -2.859594339e-04 -2.859594339e-04 5.52 -2.424050199e-04 -2.424050199e-04 5.54 -2.055835239e-04 -2.055835239e-04 5.56 -1.744469948e-04 -1.744469948e-04 5.58 -1.481095553e-04 -1.481095553e-04 5.60 -1.258230812e-04 -1.258230812e-04 5.62 -1.069562487e-04 -1.069562487e-04 5.64 -9.097657589e-05 -9.097657589e-05 5.66 -7.743509754e-05 -7.743509754e-05 5.68 -6.595333126e-05 -6.595333126e-05 5.70 -5.621222375e-05 -5.621222375e-05 5.72 -4.794279744e-05 -4.794279744e-05 5.74 -4.091824992e-05 -4.091824992e-05 5.76 -3.494729008e-05 -3.494729008e-05 5.78 -2.986852329e-05 -2.986852329e-05 5.80 -2.554572452e-05 -2.554572452e-05 5.82 -2.186386117e-05 -2.186386117e-05 5.84 -1.872574800e-05 -1.872574800e-05 5.86 -1.604923443e-05 -1.604923443e-05 5.88 -1.376483946e-05 -1.376483946e-05 5.90 -1.181376314e-05 -1.181376314e-05 5.92 -1.014621420e-05 -1.014621420e-05 5.94 -8.720003369e-06 -8.720003369e-06 5.96 -7.499359758e-06 -7.499359758e-06 5.98 -6.453934576e-06 -6.453934576e-06 6.00 -5.557962212e-06 -5.557962212e-06