# 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 = MgPd2Ti # 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 3.418534689e+02 3.418534689e+02 1.30 3.169310400e+02 3.169310400e+02 1.32 2.938489148e+02 2.938489148e+02 1.34 2.724624160e+02 2.724624160e+02 1.36 2.526383109e+02 2.526383109e+02 1.38 2.342531785e+02 2.342531785e+02 1.40 2.171930454e+02 2.171930454e+02 1.42 2.013533909e+02 2.013533909e+02 1.44 1.866391896e+02 1.866391896e+02 1.46 1.729646449e+02 1.729646449e+02 1.48 1.602522385e+02 1.602522385e+02 1.50 1.484313239e+02 1.484313239e+02 1.52 1.374367969e+02 1.374367969e+02 1.54 1.272081437e+02 1.272081437e+02 1.56 1.176888303e+02 1.176888303e+02 1.58 1.088258747e+02 1.088258747e+02 1.60 1.005696937e+02 1.005696937e+02 1.62 9.287434474e+01 9.287434474e+01 1.64 8.569794961e+01 8.569794961e+01 1.66 7.900285415e+01 7.900285415e+01 1.68 7.275534105e+01 7.275534105e+01 1.70 6.692516589e+01 6.692516589e+01 1.72 6.150273259e+01 6.150273259e+01 1.74 5.647803702e+01 5.647803702e+01 1.76 5.182228310e+01 5.182228310e+01 1.78 4.750848419e+01 4.750848419e+01 1.80 4.351158231e+01 4.351158231e+01 1.82 3.980853708e+01 3.980853708e+01 1.84 3.637822182e+01 3.637822182e+01 1.86 3.320115587e+01 3.320115587e+01 1.88 3.025918948e+01 3.025918948e+01 1.90 2.753528691e+01 2.753528691e+01 1.92 2.501348145e+01 2.501348145e+01 1.94 2.267894677e+01 2.267894677e+01 1.96 2.051806431e+01 2.051806431e+01 1.98 1.851839060e+01 1.851839060e+01 2.00 1.666852757e+01 1.666852757e+01 2.02 1.495795298e+01 1.495795298e+01 2.04 1.337687048e+01 1.337687048e+01 2.06 1.191610990e+01 1.191610990e+01 2.08 1.056708067e+01 1.056708067e+01 2.10 9.321762248e+00 9.321762248e+00 2.12 8.172702618e+00 8.172702618e+00 2.14 7.113006357e+00 7.113006357e+00 2.16 6.136305472e+00 6.136305472e+00 2.18 5.236716932e+00 5.236716932e+00 2.20 4.408796226e+00 4.408796226e+00 2.22 3.647491490e+00 3.647491490e+00 2.24 2.948107068e+00 2.948107068e+00 2.26 2.306279792e+00 2.306279792e+00 2.28 1.717964789e+00 1.717964789e+00 2.30 1.179424318e+00 1.179424318e+00 2.32 6.872053288e-01 6.872053288e-01 2.34 2.381074582e-01 2.381074582e-01 2.36 -1.708571283e-01 -1.708571283e-01 2.38 -5.425026933e-01 -5.425026933e-01 2.40 -8.795033969e-01 -8.795033969e-01 2.42 -1.184419443e+00 -1.184419443e+00 2.44 -1.459713580e+00 -1.459713580e+00 2.46 -1.707758445e+00 -1.707758445e+00 2.48 -1.930831305e+00 -1.930831305e+00 2.50 -2.131095504e+00 -2.131095504e+00 2.52 -2.310605141e+00 -2.310605141e+00 2.54 -2.471221597e+00 -2.471221597e+00 2.56 -2.614518316e+00 -2.614518316e+00 2.58 -2.741880146e+00 -2.741880146e+00 2.60 -2.854514850e+00 -2.854514850e+00 2.62 -2.953477778e+00 -2.953477778e+00 2.64 -3.039704226e+00 -3.039704226e+00 2.66 -3.114038148e+00 -3.114038148e+00 2.68 -3.177443173e+00 -3.177443173e+00 2.70 -3.231011738e+00 -3.231011738e+00 2.72 -3.275047233e+00 -3.275047233e+00 2.74 -3.309861646e+00 -3.309861646e+00 2.76 -3.335809880e+00 -3.335809880e+00 2.78 -3.353279254e+00 -3.353279254e+00 2.80 -3.362683118e+00 -3.362683118e+00 2.82 -3.364456511e+00 -3.364456511e+00 2.84 -3.359060289e+00 -3.359060289e+00 2.86 -3.347038118e+00 -3.347038118e+00 2.88 -3.328997516e+00 -3.328997516e+00 2.90 -3.305550491e+00 -3.305550491e+00 2.92 -3.277308034e+00 -3.277308034e+00 2.94 -3.244871504e+00 -3.244871504e+00 2.96 -3.208820813e+00 -3.208820813e+00 2.98 -3.169702256e+00 -3.169702256e+00 3.00 -3.128018545e+00 -3.128018545e+00 3.02 -3.084222335e+00 -3.084222335e+00 3.04 -3.038712755e+00 -3.038712755e+00 3.06 -2.991835249e+00 -2.991835249e+00 3.08 -2.943880733e+00 -2.943880733e+00 3.10 -2.895088871e+00 -2.895088871e+00 3.12 -2.845652044e+00 -2.845652044e+00 3.14 -2.795723043e+00 -2.795723043e+00 3.16 -2.745421782e+00 -2.745421782e+00 3.18 -2.694844991e+00 -2.694844991e+00 3.20 -2.644073625e+00 -2.644073625e+00 3.22 -2.593179001e+00 -2.593179001e+00 3.24 -2.542227172e+00 -2.542227172e+00 3.26 -2.491281691e+00 -2.491281691e+00 3.28 -2.440405080e+00 -2.440405080e+00 3.30 -2.389668038e+00 -2.389668038e+00 3.32 -2.339139641e+00 -2.339139641e+00 3.34 -2.288863270e+00 -2.288863270e+00 3.36 -2.238882924e+00 -2.238882924e+00 3.38 -2.189242752e+00 -2.189242752e+00 3.40 -2.139986436e+00 -2.139986436e+00 3.42 -2.091157413e+00 -2.091157413e+00 3.44 -2.042799105e+00 -2.042799105e+00 3.46 -1.994955852e+00 -1.994955852e+00 3.48 -1.947664230e+00 -1.947664230e+00 3.50 -1.900945053e+00 -1.900945053e+00 3.52 -1.854825023e+00 -1.854825023e+00 3.54 -1.809337552e+00 -1.809337552e+00 3.56 -1.764519861e+00 -1.764519861e+00 3.58 -1.720409345e+00 -1.720409345e+00 3.60 -1.677039670e+00 -1.677039670e+00 3.62 -1.634437263e+00 -1.634437263e+00 3.64 -1.592618784e+00 -1.592618784e+00 3.66 -1.551589975e+00 -1.551589975e+00 3.68 -1.511345898e+00 -1.511345898e+00 3.70 -1.471872337e+00 -1.471872337e+00 3.72 -1.433147903e+00 -1.433147903e+00 3.74 -1.395146430e+00 -1.395146430e+00 3.76 -1.357839286e+00 -1.357839286e+00 3.78 -1.321197398e+00 -1.321197398e+00 3.80 -1.285192869e+00 -1.285192869e+00 3.82 -1.249800172e+00 -1.249800172e+00 3.84 -1.214996940e+00 -1.214996940e+00 3.86 -1.180764406e+00 -1.180764406e+00 3.88 -1.147087567e+00 -1.147087567e+00 3.90 -1.113955156e+00 -1.113955156e+00 3.92 -1.081359395e+00 -1.081359395e+00 3.94 -1.049296415e+00 -1.049296415e+00 3.96 -1.017765389e+00 -1.017765389e+00 3.98 -9.867692118e-01 -9.867692118e-01 4.00 -9.563145386e-01 -9.563145386e-01 4.02 -9.264120090e-01 -9.264120090e-01 4.04 -8.970763947e-01 -8.970763947e-01 4.06 -8.683265266e-01 -8.683265266e-01 4.08 -8.401848769e-01 -8.401848769e-01 4.10 -8.126763904e-01 -8.126763904e-01 4.12 -7.858284873e-01 -7.858284873e-01 4.14 -7.596672725e-01 -7.596672725e-01 4.16 -7.342170518e-01 -7.342170518e-01 4.18 -7.094979519e-01 -7.094979519e-01 4.20 -6.855241405e-01 -6.855241405e-01 4.22 -6.623024663e-01 -6.623024663e-01 4.24 -6.398316688e-01 -6.398316688e-01 4.26 -6.181022120e-01 -6.181022120e-01 4.28 -5.970967025e-01 -5.970967025e-01 4.30 -5.767907773e-01 -5.767907773e-01 4.32 -5.571543031e-01 -5.571543031e-01 4.34 -5.381527241e-01 -5.381527241e-01 4.36 -5.197484132e-01 -5.197484132e-01 4.38 -5.019019243e-01 -5.019019243e-01 4.40 -4.845730822e-01 -4.845730822e-01 4.42 -4.677218917e-01 -4.677218917e-01 4.44 -4.513092755e-01 -4.513092755e-01 4.46 -4.352976735e-01 -4.352976735e-01 4.48 -4.196515450e-01 -4.196515450e-01 4.50 -4.043378201e-01 -4.043378201e-01 4.52 -3.893263390e-01 -3.893263390e-01 4.54 -3.745903105e-01 -3.745903105e-01 4.56 -3.601068055e-01 -3.601068055e-01 4.58 -3.458572867e-01 -3.458572867e-01 4.60 -3.318281539e-01 -3.318281539e-01 4.62 -3.180112695e-01 -3.180112695e-01 4.64 -3.044044043e-01 -3.044044043e-01 4.66 -2.910115371e-01 -2.910115371e-01 4.68 -2.778429288e-01 -2.778429288e-01 4.70 -2.649148994e-01 -2.649148994e-01 4.72 -2.522492538e-01 -2.522492538e-01 4.74 -2.398723327e-01 -2.398723327e-01 4.76 -2.278137113e-01 -2.278137113e-01 4.78 -2.161046143e-01 -2.161046143e-01 4.80 -2.047759338e-01 -2.047759338e-01 4.82 -1.938574369e-01 -1.938574369e-01 4.84 -1.833746233e-01 -1.833746233e-01 4.86 -1.733484743e-01 -1.733484743e-01 4.88 -1.637942607e-01 -1.637942607e-01 4.90 -1.547210964e-01 -1.547210964e-01 4.92 -1.461319498e-01 -1.461319498e-01 4.94 -1.380240498e-01 -1.380240498e-01 4.96 -1.303895823e-01 -1.303895823e-01 4.98 -1.232165518e-01 -1.232165518e-01 5.00 -1.164896882e-01 -1.164896882e-01 5.02 -1.101912962e-01 -1.101912962e-01 5.04 -1.043019813e-01 -1.043019813e-01 5.06 -9.880122855e-02 -9.880122855e-02 5.08 -9.366781736e-02 -9.366781736e-02 5.10 -8.888011829e-02 -8.888011829e-02 5.12 -8.441632447e-02 -8.441632447e-02 5.14 -8.025457679e-02 -8.025457679e-02 5.16 -7.637286776e-02 -7.637286776e-02 5.18 -7.274920451e-02 -7.274920451e-02 5.20 -6.936346601e-02 -6.936346601e-02 5.22 -6.619598259e-02 -6.619598259e-02 5.24 -6.322766653e-02 -6.322766653e-02 5.26 -6.044026802e-02 -6.044026802e-02 5.28 -5.781656809e-02 -5.781656809e-02 5.30 -5.534051054e-02 -5.534051054e-02 5.32 -5.299727813e-02 -5.299727813e-02 5.34 -5.077332016e-02 -5.077332016e-02 5.36 -4.865633991e-02 -4.865633991e-02 5.38 -4.663525064e-02 -4.663525064e-02 5.40 -4.470010853e-02 -4.470010853e-02 5.42 -4.284203026e-02 -4.284203026e-02 5.44 -4.105310219e-02 -4.105310219e-02 5.46 -3.932628742e-02 -3.932628742e-02 5.48 -3.765533667e-02 -3.765533667e-02 5.50 -3.603470818e-02 -3.603470818e-02 5.52 -3.445949947e-02 -3.445949947e-02 5.54 -3.292539840e-02 -3.292539840e-02 5.56 -3.142865286e-02 -3.142865286e-02 5.58 -2.996606055e-02 -2.996606055e-02 5.60 -2.853497710e-02 -2.853497710e-02 5.62 -2.713333911e-02 -2.713333911e-02 5.64 -2.575969601e-02 -2.575969601e-02 5.66 -2.441324314e-02 -2.441324314e-02 5.68 -2.309384679e-02 -2.309384679e-02 5.70 -2.180205516e-02 -2.180205516e-02 5.72 -2.053908018e-02 -2.053908018e-02 5.74 -1.930674849e-02 -1.930674849e-02 5.76 -1.810741692e-02 -1.810741692e-02 5.78 -1.694385244e-02 -1.694385244e-02 5.80 -1.581908071e-02 -1.581908071e-02 5.82 -1.473621197e-02 -1.473621197e-02 5.84 -1.369825636e-02 -1.369825636e-02 5.86 -1.270794280e-02 -1.270794280e-02 5.88 -1.176753959e-02 -1.176753959e-02 5.90 -1.087868174e-02 -1.087868174e-02 5.92 -1.004243289e-02 -1.004243289e-02 5.94 -9.259148857e-03 -9.259148857e-03 5.96 -8.528461510e-03 -8.528461510e-03 5.98 -7.849319680e-03 -7.849319680e-03 6.00 -7.220063970e-03 -7.220063970e-03