# 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 = AuPdPt2 # 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 4.024546855e+02 4.024546855e+02 1.30 3.754051095e+02 3.754051095e+02 1.32 3.501571649e+02 3.501571649e+02 1.34 3.265736212e+02 3.265736212e+02 1.36 3.045272380e+02 3.045272380e+02 1.38 2.839028180e+02 2.839028180e+02 1.40 2.646009473e+02 2.646009473e+02 1.42 2.465391230e+02 2.465391230e+02 1.44 2.296456259e+02 2.296456259e+02 1.46 2.138502045e+02 2.138502045e+02 1.48 1.990795502e+02 1.990795502e+02 1.50 1.852586536e+02 1.852586536e+02 1.52 1.723135834e+02 1.723135834e+02 1.54 1.601732577e+02 1.601732577e+02 1.56 1.487709688e+02 1.487709688e+02 1.58 1.380462607e+02 1.380462607e+02 1.60 1.279463460e+02 1.279463460e+02 1.62 1.184260914e+02 1.184260914e+02 1.64 1.094465839e+02 1.094465839e+02 1.66 1.009733053e+02 1.009733053e+02 1.68 9.297505611e+01 9.297505611e+01 1.70 8.542381297e+01 8.542381297e+01 1.72 7.829460771e+01 7.829460771e+01 1.74 7.156445972e+01 7.156445972e+01 1.76 6.521518085e+01 6.521518085e+01 1.78 5.925258954e+01 5.925258954e+01 1.80 5.375127406e+01 5.375127406e+01 1.82 4.868750478e+01 4.868750478e+01 1.84 4.402380544e+01 4.402380544e+01 1.86 3.972874401e+01 3.972874401e+01 1.88 3.577628858e+01 3.577628858e+01 1.90 3.214415103e+01 3.214415103e+01 1.92 2.881180942e+01 2.881180942e+01 1.94 2.575900217e+01 2.575900217e+01 1.96 2.296513945e+01 2.296513945e+01 1.98 2.040952635e+01 2.040952635e+01 2.00 1.807197086e+01 1.807197086e+01 2.02 1.593338295e+01 1.593338295e+01 2.04 1.397617152e+01 1.397617152e+01 2.06 1.218441140e+01 1.218441140e+01 2.08 1.054382594e+01 1.054382594e+01 2.10 9.041644492e+00 9.041644492e+00 2.12 7.666395050e+00 7.666395050e+00 2.14 6.407693183e+00 6.407693183e+00 2.16 5.256075845e+00 5.256075845e+00 2.18 4.202898994e+00 4.202898994e+00 2.20 3.240285474e+00 3.240285474e+00 2.22 2.361094497e+00 2.361094497e+00 2.24 1.558889072e+00 1.558889072e+00 2.26 8.278909492e-01 8.278909492e-01 2.28 1.629225547e-01 1.629225547e-01 2.30 -4.406609440e-01 -4.406609440e-01 2.32 -9.870460097e-01 -9.870460097e-01 2.34 -1.480038654e+00 -1.480038654e+00 2.36 -1.923142907e+00 -1.923142907e+00 2.38 -2.319636233e+00 -2.319636233e+00 2.40 -2.672637315e+00 -2.672637315e+00 2.42 -2.985160915e+00 -2.985160915e+00 2.44 -3.260155086e+00 -3.260155086e+00 2.46 -3.500519042e+00 -3.500519042e+00 2.48 -3.709104599e+00 -3.709104599e+00 2.50 -3.888707083e+00 -3.888707083e+00 2.52 -4.042094388e+00 -4.042094388e+00 2.54 -4.174056222e+00 -4.174056222e+00 2.56 -4.287611576e+00 -4.287611576e+00 2.58 -4.384285560e+00 -4.384285560e+00 2.60 -4.465548519e+00 -4.465548519e+00 2.62 -4.532756503e+00 -4.532756503e+00 2.64 -4.587110816e+00 -4.587110816e+00 2.66 -4.629641903e+00 -4.629641903e+00 2.68 -4.661215090e+00 -4.661215090e+00 2.70 -4.682550917e+00 -4.682550917e+00 2.72 -4.694252121e+00 -4.694252121e+00 2.74 -4.696831046e+00 -4.696831046e+00 2.76 -4.690734012e+00 -4.690734012e+00 2.78 -4.676361669e+00 -4.676361669e+00 2.80 -4.654238261e+00 -4.654238261e+00 2.82 -4.624878550e+00 -4.624878550e+00 2.84 -4.588567056e+00 -4.588567056e+00 2.86 -4.545546948e+00 -4.545546948e+00 2.88 -4.496128185e+00 -4.496128185e+00 2.90 -4.440708716e+00 -4.440708716e+00 2.92 -4.379787035e+00 -4.379787035e+00 2.94 -4.313966219e+00 -4.313966219e+00 2.96 -4.243944094e+00 -4.243944094e+00 2.98 -4.170488663e+00 -4.170488663e+00 3.00 -4.094414702e+00 -4.094414702e+00 3.02 -4.016520364e+00 -4.016520364e+00 3.04 -3.937521159e+00 -3.937521159e+00 3.06 -3.858017466e+00 -3.858017466e+00 3.08 -3.778476579e+00 -3.778476579e+00 3.10 -3.699232028e+00 -3.699232028e+00 3.12 -3.620497437e+00 -3.620497437e+00 3.14 -3.542389057e+00 -3.542389057e+00 3.16 -3.464951089e+00 -3.464951089e+00 3.18 -3.388179564e+00 -3.388179564e+00 3.20 -3.312042333e+00 -3.312042333e+00 3.22 -3.236494430e+00 -3.236494430e+00 3.24 -3.161489100e+00 -3.161489100e+00 3.26 -3.086985255e+00 -3.086985255e+00 3.28 -3.012952208e+00 -3.012952208e+00 3.30 -2.939372431e+00 -2.939372431e+00 3.32 -2.866242835e+00 -2.866242835e+00 3.34 -2.793574977e+00 -2.793574977e+00 3.36 -2.721425550e+00 -2.721425550e+00 3.38 -2.649942876e+00 -2.649942876e+00 3.40 -2.579276766e+00 -2.579276766e+00 3.42 -2.509562210e+00 -2.509562210e+00 3.44 -2.440920140e+00 -2.440920140e+00 3.46 -2.373457609e+00 -2.373457609e+00 3.48 -2.307267659e+00 -2.307267659e+00 3.50 -2.242429113e+00 -2.242429113e+00 3.52 -2.179006427e+00 -2.179006427e+00 3.54 -2.117049685e+00 -2.117049685e+00 3.56 -2.056594763e+00 -2.056594763e+00 3.58 -1.997663666e+00 -1.997663666e+00 3.60 -1.940265028e+00 -1.940265028e+00 3.62 -1.884394745e+00 -1.884394745e+00 3.64 -1.830036764e+00 -1.830036764e+00 3.66 -1.777163991e+00 -1.777163991e+00 3.68 -1.725739367e+00 -1.725739367e+00 3.70 -1.675717082e+00 -1.675717082e+00 3.72 -1.627043967e+00 -1.627043967e+00 3.74 -1.579661017e+00 -1.579661017e+00 3.76 -1.533505046e+00 -1.533505046e+00 3.78 -1.488510402e+00 -1.488510402e+00 3.80 -1.444610683e+00 -1.444610683e+00 3.82 -1.401740374e+00 -1.401740374e+00 3.84 -1.359836336e+00 -1.359836336e+00 3.86 -1.318839084e+00 -1.318839084e+00 3.88 -1.278693830e+00 -1.278693830e+00 3.90 -1.239351299e+00 -1.239351299e+00 3.92 -1.200768355e+00 -1.200768355e+00 3.94 -1.162908507e+00 -1.162908507e+00 3.96 -1.125742342e+00 -1.125742342e+00 3.98 -1.089247991e+00 -1.089247991e+00 4.00 -1.053411618e+00 -1.053411618e+00 4.02 -1.018227937e+00 -1.018227937e+00 4.04 -9.837006866e-01 -9.837006866e-01 4.06 -9.498429276e-01 -9.498429276e-01 4.08 -9.166770099e-01 -9.166770099e-01 4.10 -8.842340180e-01 -8.842340180e-01 4.12 -8.525525828e-01 -8.525525828e-01 4.14 -8.216768838e-01 -8.216768838e-01 4.16 -7.916539997e-01 -7.916539997e-01 4.18 -7.625306644e-01 -7.625306644e-01 4.20 -7.343497478e-01 -7.343497478e-01 4.22 -7.071468154e-01 -7.071468154e-01 4.24 -6.809471437e-01 -6.809471437e-01 4.26 -6.557635082e-01 -6.557635082e-01 4.28 -6.315949413e-01 -6.315949413e-01 4.30 -6.084265029e-01 -6.084265029e-01 4.32 -5.862299619e-01 -5.862299619e-01 4.34 -5.649651795e-01 -5.649651795e-01 4.36 -5.445819396e-01 -5.445819396e-01 4.38 -5.250219790e-01 -5.250219790e-01 4.40 -5.062210158e-01 -5.062210158e-01 4.42 -4.881106429e-01 -4.881106429e-01 4.44 -4.706200138e-01 -4.706200138e-01 4.46 -4.536773027e-01 -4.536773027e-01 4.48 -4.372109545e-01 -4.372109545e-01 4.50 -4.211507618e-01 -4.211507618e-01 4.52 -4.054288162e-01 -4.054288162e-01 4.54 -3.899803881e-01 -3.899803881e-01 4.56 -3.747447831e-01 -3.747447831e-01 4.58 -3.596662241e-01 -3.596662241e-01 4.60 -3.446947947e-01 -3.446947947e-01 4.62 -3.297874675e-01 -3.297874675e-01 4.64 -3.149092210e-01 -3.149092210e-01 4.66 -3.000342229e-01 -3.000342229e-01 4.68 -2.851470278e-01 -2.851470278e-01 4.70 -2.702437076e-01 -2.702437076e-01 4.72 -2.553327983e-01 -2.553327983e-01 4.74 -2.404359283e-01 -2.404359283e-01 4.76 -2.255879775e-01 -2.255879775e-01 4.78 -2.108366288e-01 -2.108366288e-01 4.80 -1.962412011e-01 -1.962412011e-01 4.82 -1.818707250e-01 -1.818707250e-01 4.84 -1.678012667e-01 -1.678012667e-01 4.86 -1.541126563e-01 -1.541126563e-01 4.88 -1.408848075e-01 -1.408848075e-01 4.90 -1.281939202e-01 -1.281939202e-01 4.92 -1.161088802e-01 -1.161088802e-01 4.94 -1.046881583e-01 -1.046881583e-01 4.96 -9.397745697e-02 -9.397745697e-02 4.98 -8.400825875e-02 -8.400825875e-02 5.00 -7.479732729e-02 -7.479732729e-02 5.02 -6.634710133e-02 -6.634710133e-02 5.04 -5.864684165e-02 -5.864684165e-02 5.06 -5.167436247e-02 -5.167436247e-02 5.08 -4.539807264e-02 -4.539807264e-02 5.10 -3.977917215e-02 -3.977917215e-02 5.12 -3.477381897e-02 -3.477381897e-02 5.14 -3.033551491e-02 -3.033551491e-02 5.16 -2.641698005e-02 -2.641698005e-02 5.18 -2.296938570e-02 -2.296938570e-02 5.20 -1.994545127e-02 -1.994545127e-02 5.22 -1.730032702e-02 -1.730032702e-02 5.24 -1.499208214e-02 -1.499208214e-02 5.26 -1.298191113e-02 -1.298191113e-02 5.28 -1.123415789e-02 -1.123415789e-02 5.30 -9.717032019e-03 -9.717032019e-03 5.32 -8.401920541e-03 -8.401920541e-03 5.34 -7.263213444e-03 -7.263213444e-03 5.36 -6.278146084e-03 -6.278146084e-03 5.38 -5.426599066e-03 -5.426599066e-03 5.40 -4.690876190e-03 -4.690876190e-03 5.42 -4.055475227e-03 -4.055475227e-03 5.44 -3.506861724e-03 -3.506861724e-03 5.46 -3.033252601e-03 -3.033252601e-03 5.48 -2.624413704e-03 -2.624413704e-03 5.50 -2.271473591e-03 -2.271473591e-03 5.52 -1.966754504e-03 -1.966754504e-03 5.54 -1.703620515e-03 -1.703620515e-03 5.56 -1.476342255e-03 -1.476342255e-03 5.58 -1.279977233e-03 -1.279977233e-03 5.60 -1.110264544e-03 -1.110264544e-03 5.62 -9.635326515e-04 -9.635326515e-04 5.64 -8.366189516e-04 -8.366189516e-04 5.66 -7.267998117e-04 -7.267998117e-04 5.68 -6.317298944e-04 -6.317298944e-04 5.70 -5.493896420e-04 -5.493896420e-04 5.72 -4.780399053e-04 -4.780399053e-04 5.74 -4.161828023e-04 -4.161828023e-04 5.76 -3.625279892e-04 -3.625279892e-04 5.78 -3.159636241e-04 -3.159636241e-04 5.80 -2.755313873e-04 -2.755313873e-04 5.82 -2.404050040e-04 -2.404050040e-04 5.84 -2.098717851e-04 -2.098717851e-04 5.86 -1.833167660e-04 -1.833167660e-04 5.88 -1.602090812e-04 -1.602090812e-04 5.90 -1.400902583e-04 -1.400902583e-04 5.92 -1.225641617e-04 -1.225641617e-04 5.94 -1.072883530e-04 -1.072883530e-04 5.96 -9.396666600e-05 -9.396666600e-05 5.98 -8.234282542e-05 -8.234282542e-05 6.00 -7.219496064e-05 -7.219496064e-05