# 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 = AgNi2Pt # 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 2.064438512e+02 2.064438512e+02 1.30 1.909113316e+02 1.909113316e+02 1.32 1.764883632e+02 1.764883632e+02 1.34 1.630994070e+02 1.630994070e+02 1.36 1.506768420e+02 1.506768420e+02 1.38 1.391523341e+02 1.391523341e+02 1.40 1.284544581e+02 1.284544581e+02 1.42 1.185121339e+02 1.185121339e+02 1.44 1.092596335e+02 1.092596335e+02 1.46 1.006402305e+02 1.006402305e+02 1.48 9.260729526e+01 9.260729526e+01 1.50 8.512257472e+01 8.512257472e+01 1.52 7.815246820e+01 7.815246820e+01 1.54 7.166417288e+01 7.166417288e+01 1.56 6.562363815e+01 6.562363815e+01 1.58 5.999578297e+01 5.999578297e+01 1.60 5.474590886e+01 5.474590886e+01 1.62 4.984119221e+01 4.984119221e+01 1.64 4.525183868e+01 4.525183868e+01 1.66 4.095896496e+01 4.095896496e+01 1.68 3.699593127e+01 3.699593127e+01 1.70 3.335036120e+01 3.335036120e+01 1.72 2.999981715e+01 2.999981715e+01 1.74 2.692409803e+01 2.692409803e+01 1.76 2.410395203e+01 2.410395203e+01 1.78 2.152049985e+01 2.152049985e+01 1.80 1.915534086e+01 1.915534086e+01 1.82 1.699092012e+01 1.699092012e+01 1.84 1.501079990e+01 1.501079990e+01 1.86 1.319974078e+01 1.319974078e+01 1.88 1.154364202e+01 1.154364202e+01 1.90 1.002942343e+01 1.002942343e+01 1.92 8.644929167e+00 8.644929167e+00 1.94 7.378899965e+00 7.378899965e+00 1.96 6.221008611e+00 6.221008611e+00 1.98 5.161913568e+00 5.161913568e+00 2.00 4.193276656e+00 4.193276656e+00 2.02 3.307713922e+00 3.307713922e+00 2.04 2.498686216e+00 2.498686216e+00 2.06 1.760359438e+00 1.760359438e+00 2.08 1.087464757e+00 1.087464757e+00 2.10 4.751785506e-01 4.751785506e-01 2.12 -8.096769754e-02 -8.096769754e-02 2.14 -5.851441929e-01 -5.851441929e-01 2.16 -1.041250128e+00 -1.041250128e+00 2.18 -1.452922345e+00 -1.452922345e+00 2.20 -1.823538406e+00 -1.823538406e+00 2.22 -2.156222672e+00 -2.156222672e+00 2.24 -2.453857461e+00 -2.453857461e+00 2.26 -2.719098837e+00 -2.719098837e+00 2.28 -2.954398911e+00 -2.954398911e+00 2.30 -3.162037678e+00 -3.162037678e+00 2.32 -3.344162263e+00 -3.344162263e+00 2.34 -3.502874644e+00 -3.502874644e+00 2.36 -3.641490556e+00 -3.641490556e+00 2.38 -3.762037285e+00 -3.762037285e+00 2.40 -3.865762068e+00 -3.865762068e+00 2.42 -3.953871083e+00 -3.953871083e+00 2.44 -4.027518509e+00 -4.027518509e+00 2.46 -4.087812816e+00 -4.087812816e+00 2.48 -4.135833753e+00 -4.135833753e+00 2.50 -4.172650022e+00 -4.172650022e+00 2.52 -4.199326670e+00 -4.199326670e+00 2.54 -4.216912579e+00 -4.216912579e+00 2.56 -4.226420581e+00 -4.226420581e+00 2.58 -4.228791124e+00 -4.228791124e+00 2.60 -4.224857890e+00 -4.224857890e+00 2.62 -4.215327886e+00 -4.215327886e+00 2.64 -4.200781327e+00 -4.200781327e+00 2.66 -4.181663181e+00 -4.181663181e+00 2.68 -4.158135497e+00 -4.158135497e+00 2.70 -4.130270644e+00 -4.130270644e+00 2.72 -4.098186779e+00 -4.098186779e+00 2.74 -4.062047153e+00 -4.062047153e+00 2.76 -4.022051062e+00 -4.022051062e+00 2.78 -3.978418968e+00 -3.978418968e+00 2.80 -3.931375814e+00 -3.931375814e+00 2.82 -3.881137850e+00 -3.881137850e+00 2.84 -3.827974251e+00 -3.827974251e+00 2.86 -3.772085783e+00 -3.772085783e+00 2.88 -3.713583987e+00 -3.713583987e+00 2.90 -3.652617846e+00 -3.652617846e+00 2.92 -3.589388021e+00 -3.589388021e+00 2.94 -3.524155723e+00 -3.524155723e+00 2.96 -3.457242177e+00 -3.457242177e+00 2.98 -3.389016714e+00 -3.389016714e+00 3.00 -3.319874746e+00 -3.319874746e+00 3.02 -3.250213676e+00 -3.250213676e+00 3.04 -3.180403773e+00 -3.180403773e+00 3.06 -3.110761065e+00 -3.110761065e+00 3.08 -3.041542950e+00 -3.041542950e+00 3.10 -2.973020710e+00 -2.973020710e+00 3.12 -2.905422144e+00 -2.905422144e+00 3.14 -2.838883759e+00 -2.838883759e+00 3.16 -2.773474678e+00 -2.773474678e+00 3.18 -2.709218577e+00 -2.709218577e+00 3.20 -2.646111037e+00 -2.646111037e+00 3.22 -2.584132214e+00 -2.584132214e+00 3.24 -2.523255462e+00 -2.523255462e+00 3.26 -2.463452798e+00 -2.463452798e+00 3.28 -2.404698063e+00 -2.404698063e+00 3.30 -2.346968513e+00 -2.346968513e+00 3.32 -2.290245345e+00 -2.290245345e+00 3.34 -2.234513527e+00 -2.234513527e+00 3.36 -2.179761163e+00 -2.179761163e+00 3.38 -2.125978542e+00 -2.125978542e+00 3.40 -2.073157011e+00 -2.073157011e+00 3.42 -2.021287793e+00 -2.021287793e+00 3.44 -1.970360872e+00 -1.970360872e+00 3.46 -1.920364068e+00 -1.920364068e+00 3.48 -1.871282414e+00 -1.871282414e+00 3.50 -1.823097883e+00 -1.823097883e+00 3.52 -1.775789482e+00 -1.775789482e+00 3.54 -1.729333668e+00 -1.729333668e+00 3.56 -1.683705008e+00 -1.683705008e+00 3.58 -1.638876947e+00 -1.638876947e+00 3.60 -1.594822601e+00 -1.594822601e+00 3.62 -1.551515458e+00 -1.551515458e+00 3.64 -1.508929983e+00 -1.508929983e+00 3.66 -1.467042126e+00 -1.467042126e+00 3.68 -1.425829803e+00 -1.425829803e+00 3.70 -1.385273441e+00 -1.385273441e+00 3.72 -1.345356669e+00 -1.345356669e+00 3.74 -1.306067175e+00 -1.306067175e+00 3.76 -1.267397702e+00 -1.267397702e+00 3.78 -1.229347052e+00 -1.229347052e+00 3.80 -1.191920868e+00 -1.191920868e+00 3.82 -1.155131946e+00 -1.155131946e+00 3.84 -1.118999807e+00 -1.118999807e+00 3.86 -1.083549338e+00 -1.083549338e+00 3.88 -1.048808506e+00 -1.048808506e+00 3.90 -1.014805314e+00 -1.014805314e+00 3.92 -9.815644045e-01 -9.815644045e-01 3.94 -9.491038339e-01 -9.491038339e-01 3.96 -9.174325524e-01 -9.174325524e-01 3.98 -8.865490347e-01 -8.865490347e-01 4.00 -8.564412624e-01 -8.564412624e-01 4.02 -8.270880369e-01 -8.270880369e-01 4.04 -7.984613782e-01 -7.984613782e-01 4.06 -7.705296252e-01 -7.705296252e-01 4.08 -7.432607977e-01 -7.432607977e-01 4.10 -7.166257875e-01 -7.166257875e-01 4.12 -6.906010377e-01 -6.906010377e-01 4.14 -6.651703657e-01 -6.651703657e-01 4.16 -6.403258396e-01 -6.403258396e-01 4.18 -6.160675770e-01 -6.160675770e-01 4.20 -5.924025577e-01 -5.924025577e-01 4.22 -5.693426369e-01 -5.693426369e-01 4.24 -5.469020597e-01 -5.469020597e-01 4.26 -5.250948464e-01 -5.250948464e-01 4.28 -5.039324293e-01 -5.039324293e-01 4.30 -4.834218565e-01 -4.834218565e-01 4.32 -4.635647636e-01 -4.635647636e-01 4.34 -4.443571608e-01 -4.443571608e-01 4.36 -4.257899385e-01 -4.257899385e-01 4.38 -4.078498767e-01 -4.078498767e-01 4.40 -3.905208827e-01 -3.905208827e-01 4.42 -3.737851778e-01 -3.737851778e-01 4.44 -3.576242011e-01 -3.576242011e-01 4.46 -3.420190864e-01 -3.420190864e-01 4.48 -3.269506722e-01 -3.269506722e-01 4.50 -3.123991121e-01 -3.123991121e-01 4.52 -2.983432341e-01 -2.983432341e-01 4.54 -2.847598497e-01 -2.847598497e-01 4.56 -2.716232164e-01 -2.716232164e-01 4.58 -2.589048281e-01 -2.589048281e-01 4.60 -2.465736403e-01 -2.465736403e-01 4.62 -2.345967651e-01 -2.345967651e-01 4.64 -2.229405926e-01 -2.229405926e-01 4.66 -2.115722377e-01 -2.115722377e-01 4.68 -2.004611946e-01 -2.004611946e-01 4.70 -1.895810154e-01 -1.895810154e-01 4.72 -1.789108707e-01 -1.789108707e-01 4.74 -1.684370170e-01 -1.684370170e-01 4.76 -1.581538727e-01 -1.581538727e-01 4.78 -1.480632429e-01 -1.480632429e-01 4.80 -1.381754824e-01 -1.381754824e-01 4.82 -1.285087516e-01 -1.285087516e-01 4.84 -1.190877884e-01 -1.190877884e-01 4.86 -1.099422744e-01 -1.099422744e-01 4.88 -1.011048898e-01 -1.011048898e-01 4.90 -9.260921827e-02 -9.260921827e-02 4.92 -8.448766871e-02 -8.448766871e-02 4.94 -7.676957939e-02 -7.676957939e-02 4.96 -6.947964278e-02 -6.947964278e-02 4.98 -6.263674373e-02 -6.263674373e-02 5.00 -5.625325242e-02 -5.625325242e-02 5.02 -5.033476368e-02 -5.033476368e-02 5.04 -4.488023348e-02 -4.488023348e-02 5.06 -3.988243789e-02 -3.988243789e-02 5.08 -3.532866784e-02 -3.532866784e-02 5.10 -3.120157434e-02 -3.120157434e-02 5.12 -2.748008714e-02 -2.748008714e-02 5.14 -2.414034461e-02 -2.414034461e-02 5.16 -2.115658232e-02 -2.115658232e-02 5.18 -1.850195116e-02 -1.850195116e-02 5.20 -1.614923953e-02 -1.614923953e-02 5.22 -1.407148554e-02 -1.407148554e-02 5.24 -1.224223022e-02 -1.224223022e-02 5.26 -1.063626691e-02 -1.063626691e-02 5.28 -9.230241166e-03 -9.230241166e-03 5.30 -8.002263380e-03 -8.002263380e-03 5.32 -6.932071666e-03 -6.932071666e-03 5.34 -6.001113063e-03 -6.001113063e-03 5.36 -5.192556022e-03 -5.192556022e-03 5.38 -4.491251691e-03 -4.491251691e-03 5.40 -3.883658824e-03 -3.883658824e-03 5.42 -3.357744565e-03 -3.357744565e-03 5.44 -2.902870865e-03 -2.902870865e-03 5.46 -2.509674103e-03 -2.509674103e-03 5.48 -2.169943557e-03 -2.169943557e-03 5.50 -1.876502806e-03 -1.876502806e-03 5.52 -1.623096834e-03 -1.623096834e-03 5.54 -1.404286584e-03 -1.404286584e-03 5.56 -1.215351958e-03 -1.215351958e-03 5.58 -1.052203635e-03 -1.052203635e-03 5.60 -9.113037133e-04 -9.113037133e-04 5.62 -7.895948602e-04 -7.895948602e-04 5.64 -6.844374831e-04 -6.844374831e-04 5.66 -5.935543295e-04 -5.935543295e-04 5.68 -5.149818649e-04 -5.149818649e-04 5.70 -4.470277678e-04 -4.470277678e-04 5.72 -3.882338944e-04 -3.882338944e-04 5.74 -3.373441002e-04 -3.373441002e-04 5.76 -2.932763435e-04 -2.932763435e-04 5.78 -2.550985499e-04 -2.550985499e-04 5.80 -2.220077624e-04 -2.220077624e-04 5.82 -1.933121547e-04 -1.933121547e-04 5.84 -1.684155290e-04 -1.684155290e-04 5.86 -1.468039681e-04 -1.468039681e-04 5.88 -1.280343489e-04 -1.280343489e-04 5.90 -1.117244633e-04 -1.117244633e-04 5.92 -9.754452407e-05 -9.754452407e-05 5.94 -8.520986344e-05 -8.520986344e-05 5.96 -7.447465788e-05 -7.447465788e-05 5.98 -6.512653503e-05 -6.512653503e-05 6.00 -5.698193845e-05 -5.698193845e-05