# 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 = Ag2MoZr # 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 3.316604930e+02 3.316604930e+02 1.30 3.077723986e+02 3.077723986e+02 1.32 2.856479666e+02 2.856479666e+02 1.34 2.651451230e+02 2.651451230e+02 1.36 2.461332335e+02 2.461332335e+02 1.38 2.284927202e+02 2.284927202e+02 1.40 2.121146545e+02 2.121146545e+02 1.42 1.968999094e+02 1.968999094e+02 1.44 1.827581338e+02 1.827581338e+02 1.46 1.696069838e+02 1.696069838e+02 1.48 1.573717544e+02 1.573717544e+02 1.50 1.459850641e+02 1.459850641e+02 1.52 1.353862109e+02 1.353862109e+02 1.54 1.255201141e+02 1.255201141e+02 1.56 1.163362418e+02 1.163362418e+02 1.58 1.077878313e+02 1.077878313e+02 1.60 9.983134907e+01 9.983134907e+01 1.62 9.242601359e+01 9.242601359e+01 1.64 8.553340133e+01 8.553340133e+01 1.66 7.911720390e+01 7.911720390e+01 1.68 7.314318961e+01 7.314318961e+01 1.70 6.757934872e+01 6.757934872e+01 1.72 6.239600023e+01 6.239600023e+01 1.74 5.756577349e+01 5.756577349e+01 1.76 5.306344638e+01 5.306344638e+01 1.78 4.886575639e+01 4.886575639e+01 1.80 4.495143480e+01 4.495143480e+01 1.82 4.130124327e+01 4.130124327e+01 1.84 3.789870805e+01 3.789870805e+01 1.86 3.472779080e+01 3.472779080e+01 1.88 3.177508612e+01 3.177508612e+01 1.90 2.902687945e+01 2.902687945e+01 1.92 2.646986325e+01 2.646986325e+01 1.94 2.409171270e+01 2.409171270e+01 1.96 2.188089040e+01 2.188089040e+01 1.98 1.982652296e+01 1.982652296e+01 2.00 1.791833583e+01 1.791833583e+01 2.02 1.614660629e+01 1.614660629e+01 2.04 1.450211558e+01 1.450211558e+01 2.06 1.297609510e+01 1.297609510e+01 2.08 1.156017582e+01 1.156017582e+01 2.10 1.024637343e+01 1.024637343e+01 2.12 9.027111482e+00 9.027111482e+00 2.14 7.895277567e+00 7.895277567e+00 2.16 6.844294560e+00 6.844294560e+00 2.18 5.868162217e+00 5.868162217e+00 2.20 4.961464808e+00 4.961464808e+00 2.22 4.119326618e+00 4.119326618e+00 2.24 3.337352138e+00 3.337352138e+00 2.26 2.611566338e+00 2.611566338e+00 2.28 1.938352713e+00 1.938352713e+00 2.30 1.314425305e+00 1.314425305e+00 2.32 7.367645145e-01 7.367645145e-01 2.34 2.025887359e-01 2.025887359e-01 2.36 -2.907013672e-01 -2.907013672e-01 2.38 -7.455598680e-01 -7.455598680e-01 2.40 -1.164326877e+00 -1.164326877e+00 2.42 -1.549254012e+00 -1.549254012e+00 2.44 -1.902511767e+00 -1.902511767e+00 2.46 -2.226193214e+00 -2.226193214e+00 2.48 -2.522302090e+00 -2.522302090e+00 2.50 -2.792734775e+00 -2.792734775e+00 2.52 -3.039262185e+00 -3.039262185e+00 2.54 -3.263518201e+00 -3.263518201e+00 2.56 -3.467051568e+00 -3.467051568e+00 2.58 -3.651225007e+00 -3.651225007e+00 2.60 -3.817208019e+00 -3.817208019e+00 2.62 -3.966001122e+00 -3.966001122e+00 2.64 -4.098608864e+00 -4.098608864e+00 2.66 -4.216102560e+00 -4.216102560e+00 2.68 -4.319473262e+00 -4.319473262e+00 2.70 -4.409619717e+00 -4.409619717e+00 2.72 -4.487213488e+00 -4.487213488e+00 2.74 -4.552816900e+00 -4.552816900e+00 2.76 -4.606992260e+00 -4.606992260e+00 2.78 -4.650296816e+00 -4.650296816e+00 2.80 -4.683197911e+00 -4.683197911e+00 2.82 -4.706072969e+00 -4.706072969e+00 2.84 -4.719327936e+00 -4.719327936e+00 2.86 -4.723395469e+00 -4.723395469e+00 2.88 -4.718733090e+00 -4.718733090e+00 2.90 -4.705824409e+00 -4.705824409e+00 2.92 -4.685181718e+00 -4.685181718e+00 2.94 -4.657348026e+00 -4.657348026e+00 2.96 -4.622896765e+00 -4.622896765e+00 2.98 -4.582427858e+00 -4.582427858e+00 3.00 -4.536559575e+00 -4.536559575e+00 3.02 -4.485916441e+00 -4.485916441e+00 3.04 -4.431111553e+00 -4.431111553e+00 3.06 -4.372742264e+00 -4.372742264e+00 3.08 -4.311356398e+00 -4.311356398e+00 3.10 -4.247453351e+00 -4.247453351e+00 3.12 -4.181470668e+00 -4.181470668e+00 3.14 -4.113788108e+00 -4.113788108e+00 3.16 -4.044717743e+00 -4.044717743e+00 3.18 -3.974677388e+00 -3.974677388e+00 3.20 -3.903859221e+00 -3.903859221e+00 3.22 -3.832232767e+00 -3.832232767e+00 3.24 -3.759766980e+00 -3.759766980e+00 3.26 -3.686437726e+00 -3.686437726e+00 3.28 -3.612236036e+00 -3.612236036e+00 3.30 -3.537175777e+00 -3.537175777e+00 3.32 -3.461299728e+00 -3.461299728e+00 3.34 -3.384693944e+00 -3.384693944e+00 3.36 -3.307491538e+00 -3.307491538e+00 3.38 -3.229852540e+00 -3.229852540e+00 3.40 -3.151957997e+00 -3.151957997e+00 3.42 -3.074010763e+00 -3.074010763e+00 3.44 -2.996223300e+00 -2.996223300e+00 3.46 -2.918817887e+00 -2.918817887e+00 3.48 -2.842019078e+00 -2.842019078e+00 3.50 -2.766046859e+00 -2.766046859e+00 3.52 -2.691109413e+00 -2.691109413e+00 3.54 -2.617396135e+00 -2.617396135e+00 3.56 -2.545071579e+00 -2.545071579e+00 3.58 -2.474270936e+00 -2.474270936e+00 3.60 -2.405097396e+00 -2.405097396e+00 3.62 -2.337621498e+00 -2.337621498e+00 3.64 -2.271882336e+00 -2.271882336e+00 3.66 -2.207890322e+00 -2.207890322e+00 3.68 -2.145631141e+00 -2.145631141e+00 3.70 -2.085070515e+00 -2.085070515e+00 3.72 -2.026159415e+00 -2.026159415e+00 3.74 -1.968839424e+00 -1.968839424e+00 3.76 -1.913047958e+00 -1.913047958e+00 3.78 -1.858723068e+00 -1.858723068e+00 3.80 -1.805807530e+00 -1.805807530e+00 3.82 -1.754251905e+00 -1.754251905e+00 3.84 -1.704016288e+00 -1.704016288e+00 3.86 -1.655070553e+00 -1.655070553e+00 3.88 -1.607393095e+00 -1.607393095e+00 3.90 -1.560968316e+00 -1.560968316e+00 3.92 -1.515781533e+00 -1.515781533e+00 3.94 -1.471823227e+00 -1.471823227e+00 3.96 -1.429074139e+00 -1.429074139e+00 3.98 -1.387511920e+00 -1.387511920e+00 4.00 -1.347108196e+00 -1.347108196e+00 4.02 -1.307828969e+00 -1.307828969e+00 4.04 -1.269635825e+00 -1.269635825e+00 4.06 -1.232487555e+00 -1.232487555e+00 4.08 -1.196341882e+00 -1.196341882e+00 4.10 -1.161152997e+00 -1.161152997e+00 4.12 -1.126889808e+00 -1.126889808e+00 4.14 -1.093510249e+00 -1.093510249e+00 4.16 -1.060980831e+00 -1.060980831e+00 4.18 -1.029272143e+00 -1.029272143e+00 4.20 -9.983591700e-01 -9.983591700e-01 4.22 -9.682214258e-01 -9.682214258e-01 4.24 -9.388429155e-01 -9.388429155e-01 4.26 -9.102119081e-01 -9.102119081e-01 4.28 -8.823204986e-01 -8.823204986e-01 4.30 -8.551639476e-01 -8.551639476e-01 4.32 -8.287398098e-01 -8.287398098e-01 4.34 -8.030468908e-01 -8.030468908e-01 4.36 -7.780841064e-01 -7.780841064e-01 4.38 -7.538493403e-01 -7.538493403e-01 4.40 -7.303384094e-01 -7.303384094e-01 4.42 -7.075442340e-01 -7.075442340e-01 4.44 -6.854562846e-01 -6.854562846e-01 4.46 -6.640603365e-01 -6.640603365e-01 4.48 -6.433385247e-01 -6.433385247e-01 4.50 -6.232696523e-01 -6.232696523e-01 4.52 -6.038296859e-01 -6.038296859e-01 4.54 -5.849923621e-01 -5.849923621e-01 4.56 -5.667298338e-01 -5.667298338e-01 4.58 -5.490133001e-01 -5.490133001e-01 4.60 -5.318135821e-01 -5.318135821e-01 4.62 -5.151016243e-01 -5.151016243e-01 4.64 -4.988489181e-01 -4.988489181e-01 4.66 -4.830278563e-01 -4.830278563e-01 4.68 -4.676120319e-01 -4.676120319e-01 4.70 -4.525765006e-01 -4.525765006e-01 4.72 -4.378980234e-01 -4.378980234e-01 4.74 -4.235553044e-01 -4.235553044e-01 4.76 -4.095292332e-01 -4.095292332e-01 4.78 -3.958031358e-01 -3.958031358e-01 4.80 -3.823598972e-01 -3.823598972e-01 4.82 -3.691952683e-01 -3.691952683e-01 4.84 -3.562976110e-01 -3.562976110e-01 4.86 -3.436623907e-01 -3.436623907e-01 4.88 -3.312884898e-01 -3.312884898e-01 4.90 -3.191781813e-01 -3.191781813e-01 4.92 -3.073369570e-01 -3.073369570e-01 4.94 -2.957731888e-01 -2.957731888e-01 4.96 -2.844976121e-01 -2.844976121e-01 4.98 -2.735226410e-01 -2.735226410e-01 5.00 -2.628615443e-01 -2.628615443e-01 5.02 -2.525275296e-01 -2.525275296e-01 5.04 -2.425328024e-01 -2.425328024e-01 5.06 -2.328876719e-01 -2.328876719e-01 5.08 -2.235997771e-01 -2.235997771e-01 5.10 -2.146734937e-01 -2.146734937e-01 5.12 -2.061095652e-01 -2.061095652e-01 5.14 -1.979049768e-01 -1.979049768e-01 5.16 -1.900530673e-01 -1.900530673e-01 5.18 -1.825438488e-01 -1.825438488e-01 5.20 -1.753644112e-01 -1.753644112e-01 5.22 -1.684995650e-01 -1.684995650e-01 5.24 -1.619328272e-01 -1.619328272e-01 5.26 -1.556467898e-01 -1.556467898e-01 5.28 -1.496237883e-01 -1.496237883e-01 5.30 -1.438465268e-01 -1.438465268e-01 5.32 -1.382986225e-01 -1.382986225e-01 5.34 -1.329650522e-01 -1.329650522e-01 5.36 -1.278324904e-01 -1.278324904e-01 5.38 -1.228895310e-01 -1.228895310e-01 5.40 -1.181267927e-01 -1.181267927e-01 5.42 -1.135369004e-01 -1.135369004e-01 5.44 -1.091143512e-01 -1.091143512e-01 5.46 -1.048552758e-01 -1.048552758e-01 5.48 -1.007571125e-01 -1.007571125e-01 5.50 -9.681821500e-02 -9.681821500e-02 5.52 -9.303743578e-02 -9.303743578e-02 5.54 -8.941371295e-02 -8.941371295e-02 5.56 -8.594569362e-02 -8.594569362e-02 5.58 -8.263142426e-02 -8.263142426e-02 5.60 -7.946809813e-02 -7.946809813e-02 5.62 -7.645181498e-02 -7.645181498e-02 5.64 -7.357795727e-02 -7.357795727e-02 5.66 -7.084098476e-02 -7.084098476e-02 5.68 -6.823449953e-02 -6.823449953e-02 5.70 -6.575141453e-02 -6.575141453e-02 5.72 -6.338414219e-02 -6.338414219e-02 5.74 -6.112478406e-02 -6.112478406e-02 5.76 -5.896530702e-02 -5.896530702e-02 5.78 -5.689769661e-02 -5.689769661e-02 5.80 -5.491408245e-02 -5.491408245e-02 5.82 -5.300683484e-02 -5.300683484e-02 5.84 -5.116863416e-02 -5.116863416e-02 5.86 -4.939251680e-02 -4.939251680e-02 5.88 -4.767190215e-02 -4.767190215e-02 5.90 -4.600060575e-02 -4.600060575e-02 5.92 -4.437284325e-02 -4.437284325e-02 5.94 -4.278322989e-02 -4.278322989e-02 5.96 -4.122677900e-02 -4.122677900e-02 5.98 -3.969890305e-02 -3.969890305e-02 6.00 -3.819541959e-02 -3.819541959e-02