# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt # implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Cu2NiPt # 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 2026-08-31 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 4.460309190e+06 4.460309190e+06 0.88 4.055258674e+06 4.055258674e+06 0.90 3.686136939e+06 3.686136939e+06 0.92 3.349169211e+06 3.349169211e+06 0.94 3.040995515e+06 3.040995515e+06 0.96 2.758663759e+06 2.758663759e+06 0.98 2.499542040e+06 2.499542040e+06 1.00 2.261374275e+06 2.261374275e+06 1.02 2.042121040e+06 2.042121040e+06 1.04 1.839985604e+06 1.839985604e+06 1.06 1.653379792e+06 1.653379792e+06 1.08 1.480879850e+06 1.480879850e+06 1.10 1.321242091e+06 1.321242091e+06 1.12 1.173344723e+06 1.173344723e+06 1.14 1.036159782e+06 1.036159782e+06 1.16 9.087398996e+05 9.087398996e+05 1.18 7.902609326e+05 7.902609326e+05 1.20 6.799903110e+05 6.799903110e+05 1.22 5.772604152e+05 5.772604152e+05 1.24 4.821880802e+05 4.821880802e+05 1.26 3.968839866e+05 3.968839866e+05 1.28 3.205203430e+05 3.205203430e+05 1.30 2.547565677e+05 2.547565677e+05 1.32 2.004239045e+05 2.004239045e+05 1.34 1.578777664e+05 1.578777664e+05 1.36 1.245169686e+05 1.245169686e+05 1.38 9.831838081e+04 9.831838081e+04 1.40 7.771323077e+04 7.771323077e+04 1.42 6.148624526e+04 6.148624526e+04 1.44 4.868994794e+04 4.868994794e+04 1.46 3.858474507e+04 3.858474507e+04 1.48 3.059395499e+04 3.059395499e+04 1.50 2.426875054e+04 2.426875054e+04 1.52 1.925821219e+04 1.925821219e+04 1.54 1.528645913e+04 1.528645913e+04 1.56 1.213609040e+04 1.213609040e+04 1.58 9.636003117e+03 9.636003117e+03 1.60 7.651040465e+03 7.651040465e+03 1.62 6.074468294e+03 6.074468294e+03 1.64 4.821885372e+03 4.821885372e+03 1.66 3.826546093e+03 3.826546093e+03 1.68 3.035440725e+03 3.035440725e+03 1.70 2.406593303e+03 2.406593303e+03 1.72 1.906821590e+03 1.906821590e+03 1.74 1.509703983e+03 1.509703983e+03 1.76 1.194260734e+03 1.194260734e+03 1.78 9.437552802e+02 9.437552802e+02 1.80 7.448841093e+02 7.448841093e+02 1.82 5.871080323e+02 5.871080323e+02 1.84 4.620244631e+02 4.620244631e+02 1.86 3.629484042e+02 3.629484042e+02 1.88 2.845498224e+02 2.845498224e+02 1.90 2.225774986e+02 2.225774986e+02 1.92 1.736455120e+02 1.736455120e+02 1.94 1.350523389e+02 1.350523389e+02 1.96 1.046373816e+02 1.046373816e+02 1.98 8.070391814e+01 8.070391814e+01 2.00 6.189868033e+01 6.189868033e+01 2.02 4.714743140e+01 4.714743140e+01 2.04 3.559875217e+01 3.559875217e+01 2.06 2.657552660e+01 2.657552660e+01 2.08 1.953999186e+01 1.953999186e+01 2.10 1.406568807e+01 1.406568807e+01 2.12 9.814660717e+00 9.814660717e+00 2.14 6.520283413e+00 6.520283413e+00 2.16 3.972405843e+00 3.972405843e+00 2.18 2.005267702e+00 2.005267702e+00 2.20 4.892006756e-01 4.892006756e-01 2.22 -6.772800134e-01 -6.772800134e-01 2.24 -1.573513932e+00 -1.573513932e+00 2.26 -2.261328588e+00 -2.261328588e+00 2.28 -2.788737126e+00 -2.788737126e+00 2.30 -3.192884884e+00 -3.192884884e+00 2.32 -3.502393297e+00 -3.502393297e+00 2.34 -3.739220794e+00 -3.739220794e+00 2.36 -3.920134505e+00 -3.920134505e+00 2.38 -4.057875552e+00 -4.057875552e+00 2.40 -4.162083193e+00 -4.162083193e+00 2.42 -4.240012661e+00 -4.240012661e+00 2.44 -4.297094618e+00 -4.297094618e+00 2.46 -4.337372293e+00 -4.337372293e+00 2.48 -4.363862692e+00 -4.363862692e+00 2.50 -4.378802369e+00 -4.378802369e+00 2.52 -4.383818212e+00 -4.383818212e+00 2.54 -4.380157401e+00 -4.380157401e+00 2.56 -4.368735050e+00 -4.368735050e+00 2.58 -4.350289460e+00 -4.350289460e+00 2.60 -4.325425100e+00 -4.325425100e+00 2.62 -4.294541030e+00 -4.294541030e+00 2.64 -4.257946752e+00 -4.257946752e+00 2.66 -4.216025268e+00 -4.216025268e+00 2.68 -4.169132808e+00 -4.169132808e+00 2.70 -4.117610222e+00 -4.117610222e+00 2.72 -4.061786048e+00 -4.061786048e+00 2.74 -4.001978829e+00 -4.001978829e+00 2.76 -3.938515504e+00 -3.938515504e+00 2.78 -3.871722484e+00 -3.871722484e+00 2.80 -3.801924796e+00 -3.801924796e+00 2.82 -3.729445044e+00 -3.729445044e+00 2.84 -3.654589704e+00 -3.654589704e+00 2.86 -3.577640294e+00 -3.577640294e+00 2.88 -3.498900787e+00 -3.498900787e+00 2.90 -3.418668064e+00 -3.418668064e+00 2.92 -3.337228962e+00 -3.337228962e+00 2.94 -3.254859060e+00 -3.254859060e+00 2.96 -3.171821658e+00 -3.171821658e+00 2.98 -3.088360749e+00 -3.088360749e+00 3.00 -3.004675122e+00 -3.004675122e+00 3.02 -2.920979729e+00 -2.920979729e+00 3.04 -2.837481413e+00 -2.837481413e+00 3.06 -2.754354533e+00 -2.754354533e+00 3.08 -2.671675481e+00 -2.671675481e+00 3.10 -2.589590530e+00 -2.589590530e+00 3.12 -2.508248051e+00 -2.508248051e+00 3.14 -2.427783445e+00 -2.427783445e+00 3.16 -2.348319556e+00 -2.348319556e+00 3.18 -2.269967134e+00 -2.269967134e+00 3.20 -2.192825339e+00 -2.192825339e+00 3.22 -2.116982274e+00 -2.116982274e+00 3.24 -2.042515541e+00 -2.042515541e+00 3.26 -1.969492802e+00 -1.969492802e+00 3.28 -1.897972357e+00 -1.897972357e+00 3.30 -1.828003714e+00 -1.828003714e+00 3.32 -1.759625337e+00 -1.759625337e+00 3.34 -1.692838381e+00 -1.692838381e+00 3.36 -1.627661227e+00 -1.627661227e+00 3.38 -1.564115242e+00 -1.564115242e+00 3.40 -1.502215743e+00 -1.502215743e+00 3.42 -1.441972475e+00 -1.441972475e+00 3.44 -1.383390074e+00 -1.383390074e+00 3.46 -1.326468510e+00 -1.326468510e+00 3.48 -1.271203501e+00 -1.271203501e+00 3.50 -1.217586914e+00 -1.217586914e+00 3.52 -1.165607141e+00 -1.165607141e+00 3.54 -1.115249448e+00 -1.115249448e+00 3.56 -1.066496310e+00 -1.066496310e+00 3.58 -1.019327722e+00 -1.019327722e+00 3.60 -9.737214855e-01 -9.737214855e-01 3.62 -9.296534837e-01 -9.296534837e-01 3.64 -8.870979280e-01 -8.870979280e-01 3.66 -8.460275924e-01 -8.460275924e-01 3.68 -8.064140279e-01 -8.064140279e-01 3.70 -7.682277607e-01 -7.682277607e-01 3.72 -7.314384741e-01 -7.314384741e-01 3.74 -6.960151752e-01 -6.960151752e-01 3.76 -6.619263483e-01 -6.619263483e-01 3.78 -6.291400937e-01 -6.291400937e-01 3.80 -5.976242542e-01 -5.976242542e-01 3.82 -5.673465309e-01 -5.673465309e-01 3.84 -5.382745859e-01 -5.382745859e-01 3.86 -5.103761370e-01 -5.103761370e-01 3.88 -4.836190410e-01 -4.836190410e-01 3.90 -4.579713688e-01 -4.579713688e-01 3.92 -4.334014729e-01 -4.334014729e-01 3.94 -4.098780458e-01 -4.098780458e-01 3.96 -3.873701727e-01 -3.873701727e-01 3.98 -3.658473769e-01 -3.658473769e-01 4.00 -3.452796598e-01 -3.452796598e-01 4.02 -3.256375347e-01 -3.256375347e-01 4.04 -3.068920559e-01 -3.068920559e-01 4.06 -2.890148438e-01 -2.890148438e-01 4.08 -2.719781045e-01 -2.719781045e-01 4.10 -2.557546470e-01 -2.557546470e-01 4.12 -2.403178957e-01 -2.403178957e-01 4.14 -2.256419002e-01 -2.256419002e-01 4.16 -2.117013430e-01 -2.117013430e-01 4.18 -1.984715430e-01 -1.984715430e-01 4.20 -1.859284586e-01 -1.859284586e-01 4.22 -1.740340295e-01 -1.740340295e-01 4.24 -1.627510225e-01 -1.627510225e-01 4.26 -1.520585620e-01 -1.520585620e-01 4.28 -1.419363592e-01 -1.419363592e-01 4.30 -1.323647041e-01 -1.323647041e-01 4.32 -1.233206383e-01 -1.233206383e-01 4.34 -1.147431112e-01 -1.147431112e-01 4.36 -1.066039755e-01 -1.066039755e-01 4.38 -9.888783299e-02 -9.888783299e-02 4.40 -9.157976483e-02 -9.157976483e-02 4.42 -8.466532215e-02 -8.466532215e-02 4.44 -7.813051568e-02 -7.813051568e-02 4.46 -7.196180541e-02 -7.196180541e-02 4.48 -6.614609011e-02 -6.614609011e-02 4.50 -6.067069673e-02 -6.067069673e-02 4.52 -5.552337093e-02 -5.552337093e-02 4.54 -5.069226381e-02 -5.069226381e-02 4.56 -4.616592144e-02 -4.616592144e-02 4.58 -4.193327477e-02 -4.193327477e-02 4.60 -3.798362963e-02 -3.798362963e-02 4.62 -3.430665650e-02 -3.430665650e-02 4.64 -3.089203695e-02 -3.089203695e-02 4.66 -2.772981908e-02 -2.772981908e-02 4.68 -2.481114946e-02 -2.481114946e-02 4.70 -2.212376973e-02 -2.212376973e-02 4.72 -1.965038143e-02 -1.965038143e-02 4.74 -1.738272381e-02 -1.738272381e-02 4.76 -1.531345571e-02 -1.531345571e-02 4.78 -1.343543065e-02 -1.343543065e-02 4.80 -1.174169530e-02 -1.174169530e-02 4.82 -1.022550022e-02 -1.022550022e-02 4.84 -8.880306986e-03 -8.880306986e-03 4.86 -7.697189592e-03 -7.697189592e-03 4.88 -6.654750486e-03 -6.654750486e-03 4.90 -5.745308465e-03 -5.745308465e-03 4.92 -4.964002506e-03 -4.964002506e-03 4.94 -4.306149116e-03 -4.306149116e-03 4.96 -3.767238094e-03 -3.767238094e-03 4.98 -3.342927966e-03 -3.342927966e-03 5.00 -2.987583192e-03 -2.987583192e-03 5.02 -2.657630117e-03 -2.657630117e-03 5.04 -2.351974944e-03 -2.351974944e-03 5.06 -2.069570356e-03 -2.069570356e-03 5.08 -1.809413418e-03 -1.809413418e-03 5.10 -1.570543862e-03 -1.570543862e-03 5.12 -1.352042407e-03 -1.352042407e-03 5.14 -1.153029128e-03 -1.153029128e-03 5.16 -9.726618625e-04 -9.726618625e-04 5.18 -8.101346656e-04 -8.101346656e-04 5.20 -6.646763176e-04 -6.646763176e-04 5.22 -5.355488765e-04 -5.355488765e-04 5.24 -4.220462822e-04 -4.220462822e-04 5.26 -3.234930104e-04 -3.234930104e-04 5.28 -2.392427763e-04 -2.392427763e-04 5.30 -1.686772869e-04 -1.686772869e-04 5.32 -1.112050416e-04 -1.112050416e-04 5.34 -6.626018039e-05 -6.626018039e-05 5.36 -3.330137797e-05 -3.330137797e-05 5.38 -1.181078261e-05 -1.181078261e-05 5.40 -1.292998915e-06 -1.292998915e-06 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00