# 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 = FePdPt2 # 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 3.380632139e+02 3.380632139e+02 1.30 3.140200557e+02 3.140200557e+02 1.32 2.916336579e+02 2.916336579e+02 1.34 2.707881890e+02 2.707881890e+02 1.36 2.513723738e+02 2.513723738e+02 1.38 2.332800076e+02 2.332800076e+02 1.40 2.164134016e+02 2.164134016e+02 1.42 2.006858357e+02 2.006858357e+02 1.44 1.860183362e+02 1.860183362e+02 1.46 1.723344283e+02 1.723344283e+02 1.48 1.595592147e+02 1.595592147e+02 1.50 1.476219039e+02 1.476219039e+02 1.52 1.364570964e+02 1.364570964e+02 1.54 1.260038424e+02 1.260038424e+02 1.56 1.162047674e+02 1.162047674e+02 1.58 1.070065207e+02 1.070065207e+02 1.60 9.836068986e+01 9.836068986e+01 1.62 9.022412729e+01 9.022412729e+01 1.64 8.255874794e+01 8.255874794e+01 1.66 7.533153953e+01 7.533153953e+01 1.68 6.851508049e+01 6.851508049e+01 1.70 6.208791258e+01 6.208791258e+01 1.72 5.603614524e+01 5.603614524e+01 1.74 5.040497915e+01 5.040497915e+01 1.76 4.526839085e+01 4.526839085e+01 1.78 4.058919527e+01 4.058919527e+01 1.80 3.632590748e+01 3.632590748e+01 1.82 3.243880451e+01 3.243880451e+01 1.84 2.889220255e+01 2.889220255e+01 1.86 2.565554093e+01 2.565554093e+01 1.88 2.270306962e+01 2.270306962e+01 1.90 2.001249478e+01 2.001249478e+01 1.92 1.756330678e+01 1.756330678e+01 1.94 1.533558649e+01 1.533558649e+01 1.96 1.330970498e+01 1.330970498e+01 1.98 1.146674024e+01 1.146674024e+01 2.00 9.789106759e+00 9.789106759e+00 2.02 8.260990311e+00 8.260990311e+00 2.04 6.868464251e+00 6.868464251e+00 2.06 5.599362874e+00 5.599362874e+00 2.08 4.443033844e+00 4.443033844e+00 2.10 3.390058537e+00 3.390058537e+00 2.12 2.431992881e+00 2.431992881e+00 2.14 1.561162555e+00 1.561162555e+00 2.16 7.705309989e-01 7.705309989e-01 2.18 5.363588861e-02 5.363588861e-02 2.20 -5.954310115e-01 -5.954310115e-01 2.22 -1.182031002e+00 -1.182031002e+00 2.24 -1.710993286e+00 -1.710993286e+00 2.26 -2.186644721e+00 -2.186644721e+00 2.28 -2.612853502e+00 -2.612853502e+00 2.30 -2.993083655e+00 -2.993083655e+00 2.32 -3.330457607e+00 -3.330457607e+00 2.34 -3.627824265e+00 -3.627824265e+00 2.36 -3.887829395e+00 -3.887829395e+00 2.38 -4.112983926e+00 -4.112983926e+00 2.40 -4.305725266e+00 -4.305725266e+00 2.42 -4.468466830e+00 -4.468466830e+00 2.44 -4.603632152e+00 -4.603632152e+00 2.46 -4.714901927e+00 -4.714901927e+00 2.48 -4.806728880e+00 -4.806728880e+00 2.50 -4.880725729e+00 -4.880725729e+00 2.52 -4.938555495e+00 -4.938555495e+00 2.54 -4.981953814e+00 -4.981953814e+00 2.56 -5.012639337e+00 -5.012639337e+00 2.58 -5.032212408e+00 -5.032212408e+00 2.60 -5.042065840e+00 -5.042065840e+00 2.62 -5.043330499e+00 -5.043330499e+00 2.64 -5.036865852e+00 -5.036865852e+00 2.66 -5.023289338e+00 -5.023289338e+00 2.68 -5.003028151e+00 -5.003028151e+00 2.70 -4.976375737e+00 -4.976375737e+00 2.72 -4.943752020e+00 -4.943752020e+00 2.74 -4.905442121e+00 -4.905442121e+00 2.76 -4.861419783e+00 -4.861419783e+00 2.78 -4.811687441e+00 -4.811687441e+00 2.80 -4.756284348e+00 -4.756284348e+00 2.82 -4.695288789e+00 -4.695288789e+00 2.84 -4.628830277e+00 -4.628830277e+00 2.86 -4.557107503e+00 -4.557107503e+00 2.88 -4.480410306e+00 -4.480410306e+00 2.90 -4.399163626e+00 -4.399163626e+00 2.92 -4.313911771e+00 -4.313911771e+00 2.94 -4.225299787e+00 -4.225299787e+00 2.96 -4.134058207e+00 -4.134058207e+00 2.98 -4.040970084e+00 -4.040970084e+00 3.00 -3.946811799e+00 -3.946811799e+00 3.02 -3.852261353e+00 -3.852261353e+00 3.04 -3.757894652e+00 -3.757894652e+00 3.06 -3.664166298e+00 -3.664166298e+00 3.08 -3.571394804e+00 -3.571394804e+00 3.10 -3.479769076e+00 -3.479769076e+00 3.12 -3.389370914e+00 -3.389370914e+00 3.14 -3.300206008e+00 -3.300206008e+00 3.16 -3.212236147e+00 -3.212236147e+00 3.18 -3.125407529e+00 -3.125407529e+00 3.20 -3.039672539e+00 -3.039672539e+00 3.22 -2.955072125e+00 -2.955072125e+00 3.24 -2.871826217e+00 -2.871826217e+00 3.26 -2.790153386e+00 -2.790153386e+00 3.28 -2.710244357e+00 -2.710244357e+00 3.30 -2.632263364e+00 -2.632263364e+00 3.32 -2.556346686e+00 -2.556346686e+00 3.34 -2.482600327e+00 -2.482600327e+00 3.36 -2.411098252e+00 -2.411098252e+00 3.38 -2.341882023e+00 -2.341882023e+00 3.40 -2.274962135e+00 -2.274962135e+00 3.42 -2.210320956e+00 -2.210320956e+00 3.44 -2.147916842e+00 -2.147916842e+00 3.46 -2.087688923e+00 -2.087688923e+00 3.48 -2.029562020e+00 -2.029562020e+00 3.50 -1.973451239e+00 -1.973451239e+00 3.52 -1.919265947e+00 -1.919265947e+00 3.54 -1.866912970e+00 -1.866912970e+00 3.56 -1.816298967e+00 -1.816298967e+00 3.58 -1.767332053e+00 -1.767332053e+00 3.60 -1.719922766e+00 -1.719922766e+00 3.62 -1.673984544e+00 -1.673984544e+00 3.64 -1.629433846e+00 -1.629433846e+00 3.66 -1.586190069e+00 -1.586190069e+00 3.68 -1.544175386e+00 -1.544175386e+00 3.70 -1.503314585e+00 -1.503314585e+00 3.72 -1.463535008e+00 -1.463535008e+00 3.74 -1.424766591e+00 -1.424766591e+00 3.76 -1.386942050e+00 -1.386942050e+00 3.78 -1.349997172e+00 -1.349997172e+00 3.80 -1.313871187e+00 -1.313871187e+00 3.82 -1.278507170e+00 -1.278507170e+00 3.84 -1.243852440e+00 -1.243852440e+00 3.86 -1.209858908e+00 -1.209858908e+00 3.88 -1.176483371e+00 -1.176483371e+00 3.90 -1.143687772e+00 -1.143687772e+00 3.92 -1.111439428e+00 -1.111439428e+00 3.94 -1.079711316e+00 -1.079711316e+00 3.96 -1.048482399e+00 -1.048482399e+00 3.98 -1.017738078e+00 -1.017738078e+00 4.00 -9.874707185e-01 -9.874707185e-01 4.02 -9.576802215e-01 -9.576802215e-01 4.04 -9.283745308e-01 -9.283745308e-01 4.06 -8.995699331e-01 -8.995699331e-01 4.08 -8.712909779e-01 -8.712909779e-01 4.10 -8.435698393e-01 -8.435698393e-01 4.12 -8.164450255e-01 -8.164450255e-01 4.14 -7.899592897e-01 -7.899592897e-01 4.16 -7.641569373e-01 -7.641569373e-01 4.18 -7.390806191e-01 -7.390806191e-01 4.20 -7.147679538e-01 -7.147679538e-01 4.22 -6.912483420e-01 -6.912483420e-01 4.24 -6.685403353e-01 -6.685403353e-01 4.26 -6.466498547e-01 -6.466498547e-01 4.28 -6.255694152e-01 -6.255694152e-01 4.30 -6.052783631e-01 -6.052783631e-01 4.32 -5.857439867e-01 -5.857439867e-01 4.34 -5.669232607e-01 -5.669232607e-01 4.36 -5.487649454e-01 -5.487649454e-01 4.38 -5.312117753e-01 -5.312117753e-01 4.40 -5.142025234e-01 -5.142025234e-01 4.42 -4.976738080e-01 -4.976738080e-01 4.44 -4.815615749e-01 -4.815615749e-01 4.46 -4.658022611e-01 -4.658022611e-01 4.48 -4.503336812e-01 -4.503336812e-01 4.50 -4.350957134e-01 -4.350957134e-01 4.52 -4.200308672e-01 -4.200308672e-01 4.54 -4.050848185e-01 -4.050848185e-01 4.56 -3.902069882e-01 -3.902069882e-01 4.58 -3.753512275e-01 -3.753512275e-01 4.60 -3.604766550e-01 -3.604766550e-01 4.62 -3.455486671e-01 -3.455486671e-01 4.64 -3.305401216e-01 -3.305401216e-01 4.66 -3.154326572e-01 -3.154326572e-01 4.68 -3.002180857e-01 -3.002180857e-01 4.70 -2.848997505e-01 -2.848997505e-01 4.72 -2.694937164e-01 -2.694937164e-01 4.74 -2.540296275e-01 -2.540296275e-01 4.76 -2.385510550e-01 -2.385510550e-01 4.78 -2.231151693e-01 -2.231151693e-01 4.80 -2.077916033e-01 -2.077916033e-01 4.82 -1.926604433e-01 -1.926604433e-01 4.84 -1.778093676e-01 -1.778093676e-01 4.86 -1.633300890e-01 -1.633300890e-01 4.88 -1.493142827e-01 -1.493142827e-01 4.90 -1.358493686e-01 -1.358493686e-01 4.92 -1.230144896e-01 -1.230144896e-01 4.94 -1.108776439e-01 -1.108776439e-01 4.96 -9.949245650e-02 -9.949245650e-02 4.98 -8.889503250e-02 -8.889503250e-02 5.00 -7.910523563e-02 -7.910523563e-02 5.02 -7.012708517e-02 -7.012708517e-02 5.04 -6.194998102e-02 -6.194998102e-02 5.06 -5.455058673e-02 -5.455058673e-02 5.08 -4.789512075e-02 -4.789512075e-02 5.10 -4.194181690e-02 -4.194181690e-02 5.12 -3.664335010e-02 -3.664335010e-02 5.14 -3.194906589e-02 -3.194906589e-02 5.16 -2.780693549e-02 -2.780693549e-02 5.18 -2.416516704e-02 -2.416516704e-02 5.20 -2.097346287e-02 -2.097346287e-02 5.22 -1.818393614e-02 -1.818393614e-02 5.24 -1.575174055e-02 -1.575174055e-02 5.26 -1.363532295e-02 -1.363532295e-02 5.28 -1.179644929e-02 -1.179644929e-02 5.30 -1.020126849e-02 -1.020126849e-02 5.32 -8.819338833e-03 -8.819338833e-03 5.34 -7.623431947e-03 -7.623431947e-03 5.36 -6.589373036e-03 -6.589373036e-03 5.38 -5.695827424e-03 -5.695827424e-03 5.40 -4.924059559e-03 -4.924059559e-03 5.42 -4.257682870e-03 -4.257682870e-03 5.44 -3.682412861e-03 -3.682412861e-03 5.46 -3.185831401e-03 -3.185831401e-03 5.48 -2.757166964e-03 -2.757166964e-03 5.50 -2.387093271e-03 -2.387093271e-03 5.52 -2.067547234e-03 -2.067547234e-03 5.54 -1.791566047e-03 -1.791566047e-03 5.56 -1.553142594e-03 -1.553142594e-03 5.58 -1.347097953e-03 -1.347097953e-03 5.60 -1.168969568e-03 -1.168969568e-03 5.62 -1.014913593e-03 -1.014913593e-03 5.64 -8.816198928e-04 -8.816198928e-04 5.66 -7.662382930e-04 -7.662382930e-04 5.68 -6.663147231e-04 -6.663147231e-04 5.70 -5.797360391e-04 -5.797360391e-04 5.72 -5.046824164e-04 -5.046824164e-04 5.74 -4.395863259e-04 -4.395863259e-04 5.76 -3.830972160e-04 -3.830972160e-04 5.78 -3.340511315e-04 -3.340511315e-04 5.80 -2.914445934e-04 -2.914445934e-04 5.82 -2.544121513e-04 -2.544121513e-04 5.84 -2.222070971e-04 -2.222070971e-04 5.86 -1.941848987e-04 -1.941848987e-04 5.88 -1.697889683e-04 -1.697889683e-04 5.90 -1.485384393e-04 -1.485384393e-04 5.92 -1.300176643e-04 -1.300176643e-04 5.94 -1.138671919e-04 -1.138671919e-04 5.96 -9.977601229e-05 -9.977601229e-05 5.98 -8.747489062e-05 -8.747489062e-05 6.00 -7.673063466e-05 -7.673063466e-05