# 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 = AuTi2Zr # 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 3.460174152e+02 3.460174152e+02 1.30 3.215967090e+02 3.215967090e+02 1.32 2.989524973e+02 2.989524973e+02 1.34 2.779451250e+02 2.779451250e+02 1.36 2.584468003e+02 2.584468003e+02 1.38 2.403402696e+02 2.403402696e+02 1.40 2.235179802e+02 2.235179802e+02 1.42 2.078812513e+02 2.078812513e+02 1.44 1.933391942e+02 1.933391942e+02 1.46 1.798080185e+02 1.798080185e+02 1.48 1.672109616e+02 1.672109616e+02 1.50 1.554783637e+02 1.554783637e+02 1.52 1.445471899e+02 1.445471899e+02 1.54 1.343600749e+02 1.343600749e+02 1.56 1.248641320e+02 1.248641320e+02 1.58 1.160101024e+02 1.160101024e+02 1.60 1.077519645e+02 1.077519645e+02 1.62 1.000469455e+02 1.000469455e+02 1.64 9.285557898e+01 9.285557898e+01 1.66 8.614158319e+01 8.614158319e+01 1.68 7.987157399e+01 7.987157399e+01 1.70 7.401474981e+01 7.401474981e+01 1.72 6.854270845e+01 6.854270845e+01 1.74 6.342926784e+01 6.342926784e+01 1.76 5.865023026e+01 5.865023026e+01 1.78 5.418315778e+01 5.418315778e+01 1.80 5.000719866e+01 5.000719866e+01 1.82 4.610298609e+01 4.610298609e+01 1.84 4.245247324e+01 4.245247324e+01 1.86 3.903878740e+01 3.903878740e+01 1.88 3.584609045e+01 3.584609045e+01 1.90 3.285965556e+01 3.285965556e+01 1.92 3.006614067e+01 3.006614067e+01 1.94 2.745720002e+01 2.745720002e+01 1.96 2.502741093e+01 2.502741093e+01 1.98 2.276478094e+01 2.276478094e+01 2.00 2.065803900e+01 2.065803900e+01 2.02 1.869666747e+01 1.869666747e+01 2.04 1.687084998e+01 1.687084998e+01 2.06 1.517142268e+01 1.517142268e+01 2.08 1.358984569e+01 1.358984569e+01 2.10 1.211816796e+01 1.211816796e+01 2.12 1.074903061e+01 1.074903061e+01 2.14 9.475641567e+00 9.475641567e+00 2.16 8.291744154e+00 8.291744154e+00 2.18 7.191557009e+00 7.191557009e+00 2.20 6.169705621e+00 6.169705621e+00 2.22 5.221141813e+00 5.221141813e+00 2.24 4.341091394e+00 4.341091394e+00 2.26 3.525035256e+00 3.525035256e+00 2.28 2.768730348e+00 2.768730348e+00 2.30 2.068222107e+00 2.068222107e+00 2.32 1.419849604e+00 1.419849604e+00 2.34 8.202434108e-01 8.202434108e-01 2.36 2.662819338e-01 2.662819338e-01 2.38 -2.449369715e-01 -2.449369715e-01 2.40 -7.161219508e-01 -7.161219508e-01 2.42 -1.149813910e+00 -1.149813910e+00 2.44 -1.548405118e+00 -1.548405118e+00 2.46 -1.914168139e+00 -1.914168139e+00 2.48 -2.249279004e+00 -2.249279004e+00 2.50 -2.555832890e+00 -2.555832890e+00 2.52 -2.835845529e+00 -2.835845529e+00 2.54 -3.091240137e+00 -3.091240137e+00 2.56 -3.323826621e+00 -3.323826621e+00 2.58 -3.535283106e+00 -3.535283106e+00 2.60 -3.727147235e+00 -3.727147235e+00 2.62 -3.900816980e+00 -3.900816980e+00 2.64 -4.057568537e+00 -4.057568537e+00 2.66 -4.198558396e+00 -4.198558396e+00 2.68 -4.324849846e+00 -4.324849846e+00 2.70 -4.437477840e+00 -4.437477840e+00 2.72 -4.537314509e+00 -4.537314509e+00 2.74 -4.625144899e+00 -4.625144899e+00 2.76 -4.701715389e+00 -4.701715389e+00 2.78 -4.767734240e+00 -4.767734240e+00 2.80 -4.823878098e+00 -4.823878098e+00 2.82 -4.870782794e+00 -4.870782794e+00 2.84 -4.909051613e+00 -4.909051613e+00 2.86 -4.939215917e+00 -4.939215917e+00 2.88 -4.961710217e+00 -4.961710217e+00 2.90 -4.976969306e+00 -4.976969306e+00 2.92 -4.985298296e+00 -4.985298296e+00 2.94 -4.987019997e+00 -4.987019997e+00 2.96 -4.982478582e+00 -4.982478582e+00 2.98 -4.972038006e+00 -4.972038006e+00 3.00 -4.956081553e+00 -4.956081553e+00 3.02 -4.935013552e+00 -4.935013552e+00 3.04 -4.909315314e+00 -4.909315314e+00 3.06 -4.879358307e+00 -4.879358307e+00 3.08 -4.845349196e+00 -4.845349196e+00 3.10 -4.807473099e+00 -4.807473099e+00 3.12 -4.765930435e+00 -4.765930435e+00 3.14 -4.720931482e+00 -4.720931482e+00 3.16 -4.672677337e+00 -4.672677337e+00 3.18 -4.621366496e+00 -4.621366496e+00 3.20 -4.567193269e+00 -4.567193269e+00 3.22 -4.510346566e+00 -4.510346566e+00 3.24 -4.451016897e+00 -4.451016897e+00 3.26 -4.389401696e+00 -4.389401696e+00 3.28 -4.325706576e+00 -4.325706576e+00 3.30 -4.260144609e+00 -4.260144609e+00 3.32 -4.192933292e+00 -4.192933292e+00 3.34 -4.124289436e+00 -4.124289436e+00 3.36 -4.054422989e+00 -4.054422989e+00 3.38 -3.983531341e+00 -3.983531341e+00 3.40 -3.911794677e+00 -3.911794677e+00 3.42 -3.839378785e+00 -3.839378785e+00 3.44 -3.766430964e+00 -3.766430964e+00 3.46 -3.693088134e+00 -3.693088134e+00 3.48 -3.619480437e+00 -3.619480437e+00 3.50 -3.545735589e+00 -3.545735589e+00 3.52 -3.471981828e+00 -3.471981828e+00 3.54 -3.398348768e+00 -3.398348768e+00 3.56 -3.324965973e+00 -3.324965973e+00 3.58 -3.251959543e+00 -3.251959543e+00 3.60 -3.179447547e+00 -3.179447547e+00 3.62 -3.107535399e+00 -3.107535399e+00 3.64 -3.036312277e+00 -3.036312277e+00 3.66 -2.965849377e+00 -2.965849377e+00 3.68 -2.896200242e+00 -2.896200242e+00 3.70 -2.827402940e+00 -2.827402940e+00 3.72 -2.759483549e+00 -2.759483549e+00 3.74 -2.692460282e+00 -2.692460282e+00 3.76 -2.626347676e+00 -2.626347676e+00 3.78 -2.561160373e+00 -2.561160373e+00 3.80 -2.496916165e+00 -2.496916165e+00 3.82 -2.433638019e+00 -2.433638019e+00 3.84 -2.371354899e+00 -2.371354899e+00 3.86 -2.310101296e+00 -2.310101296e+00 3.88 -2.249915492e+00 -2.249915492e+00 3.90 -2.190836836e+00 -2.190836836e+00 3.92 -2.132901207e+00 -2.132901207e+00 3.94 -2.076143146e+00 -2.076143146e+00 3.96 -2.020584793e+00 -2.020584793e+00 3.98 -1.966240265e+00 -1.966240265e+00 4.00 -1.913113644e+00 -1.913113644e+00 4.02 -1.861199634e+00 -1.861199634e+00 4.04 -1.810484991e+00 -1.810484991e+00 4.06 -1.760950385e+00 -1.760950385e+00 4.08 -1.712572344e+00 -1.712572344e+00 4.10 -1.665320652e+00 -1.665320652e+00 4.12 -1.619178395e+00 -1.619178395e+00 4.14 -1.574113972e+00 -1.574113972e+00 4.16 -1.530102554e+00 -1.530102554e+00 4.18 -1.487121251e+00 -1.487121251e+00 4.20 -1.445149514e+00 -1.445149514e+00 4.22 -1.404169325e+00 -1.404169325e+00 4.24 -1.364165220e+00 -1.364165220e+00 4.26 -1.325124116e+00 -1.325124116e+00 4.28 -1.287034975e+00 -1.287034975e+00 4.30 -1.249888308e+00 -1.249888308e+00 4.32 -1.213675549e+00 -1.213675549e+00 4.34 -1.178388341e+00 -1.178388341e+00 4.36 -1.144017810e+00 -1.144017810e+00 4.38 -1.110553894e+00 -1.110553894e+00 4.40 -1.077984783e+00 -1.077984783e+00 4.42 -1.046296539e+00 -1.046296539e+00 4.44 -1.015472901e+00 -1.015472901e+00 4.46 -9.854952864e-01 -9.854952864e-01 4.48 -9.563429522e-01 -9.563429522e-01 4.50 -9.279932737e-01 -9.279932737e-01 4.52 -9.004220945e-01 -9.004220945e-01 4.54 -8.736041002e-01 -8.736041002e-01 4.56 -8.475131813e-01 -8.475131813e-01 4.58 -8.221227624e-01 -8.221227624e-01 4.60 -7.974060870e-01 -7.974060870e-01 4.62 -7.733364608e-01 -7.733364608e-01 4.64 -7.498874583e-01 -7.498874583e-01 4.66 -7.270331082e-01 -7.270331082e-01 4.68 -7.047480704e-01 -7.047480704e-01 4.70 -6.830078189e-01 -6.830078189e-01 4.72 -6.617888428e-01 -6.617888428e-01 4.74 -6.410688750e-01 -6.410688750e-01 4.76 -6.208271538e-01 -6.208271538e-01 4.78 -6.010447173e-01 -6.010447173e-01 4.80 -5.817015909e-01 -5.817015909e-01 4.82 -5.627902019e-01 -5.627902019e-01 4.84 -5.442952153e-01 -5.442952153e-01 4.86 -5.262081786e-01 -5.262081786e-01 4.88 -5.085239861e-01 -5.085239861e-01 4.90 -4.912410190e-01 -4.912410190e-01 4.92 -4.743611382e-01 -4.743611382e-01 4.94 -4.578894934e-01 -4.578894934e-01 4.96 -4.418341180e-01 -4.418341180e-01 4.98 -4.262053003e-01 -4.262053003e-01 5.00 -4.110147451e-01 -4.110147451e-01 5.02 -3.962745678e-01 -3.962745678e-01 5.04 -3.819961914e-01 -3.819961914e-01 5.06 -3.681892389e-01 -3.681892389e-01 5.08 -3.548605210e-01 -3.548605210e-01 5.10 -3.420132157e-01 -3.420132157e-01 5.12 -3.296463139e-01 -3.296463139e-01 5.14 -3.177543720e-01 -3.177543720e-01 5.16 -3.063275763e-01 -3.063275763e-01 5.18 -2.953520876e-01 -2.953520876e-01 5.20 -2.848106088e-01 -2.848106088e-01 5.22 -2.746831018e-01 -2.746831018e-01 5.24 -2.649475804e-01 -2.649475804e-01 5.26 -2.555809107e-01 -2.555809107e-01 5.28 -2.465595659e-01 -2.465595659e-01 5.30 -2.378602981e-01 -2.378602981e-01 5.32 -2.294607036e-01 -2.294607036e-01 5.34 -2.213396709e-01 -2.213396709e-01 5.36 -2.134777098e-01 -2.134777098e-01 5.38 -2.058571627e-01 -2.058571627e-01 5.40 -1.984623071e-01 -1.984623071e-01 5.42 -1.912793547e-01 -1.912793547e-01 5.44 -1.842963625e-01 -1.842963625e-01 5.46 -1.775030684e-01 -1.775030684e-01 5.48 -1.708906712e-01 -1.708906712e-01 5.50 -1.644515806e-01 -1.644515806e-01 5.52 -1.581791625e-01 -1.581791625e-01 5.54 -1.520675080e-01 -1.520675080e-01 5.56 -1.461112524e-01 -1.461112524e-01 5.58 -1.403054630e-01 -1.403054630e-01 5.60 -1.346456057e-01 -1.346456057e-01 5.62 -1.291275904e-01 -1.291275904e-01 5.64 -1.237478807e-01 -1.237478807e-01 5.66 -1.185036464e-01 -1.185036464e-01 5.68 -1.133929286e-01 -1.133929286e-01 5.70 -1.084147830e-01 -1.084147830e-01 5.72 -1.035693704e-01 -1.035693704e-01 5.74 -9.885796671e-02 -9.885796671e-02 5.76 -9.428287534e-02 -9.428287534e-02 5.78 -8.984723712e-02 -8.984723712e-02 5.80 -8.555474383e-02 -8.555474383e-02 5.82 -8.140927780e-02 -8.140927780e-02 5.84 -7.741450701e-02 -7.741450701e-02 5.86 -7.357347478e-02 -7.357347478e-02 5.88 -6.988822193e-02 -6.988822193e-02 5.90 -6.635947675e-02 -6.635947675e-02 5.92 -6.298638678e-02 -6.298638678e-02 5.94 -5.976632097e-02 -5.976632097e-02 5.96 -5.669521611e-02 -5.669521611e-02 5.98 -5.376768886e-02 -5.376768886e-02 6.00 -5.097699140e-02 -5.097699140e-02