# 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 = FeMo2Ni # 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 2.182349598e+02 2.182349598e+02 1.30 2.004707952e+02 2.004707952e+02 1.32 1.841346731e+02 1.841346731e+02 1.34 1.690946718e+02 1.690946718e+02 1.36 1.552299244e+02 1.552299244e+02 1.38 1.424320430e+02 1.424320430e+02 1.40 1.306059568e+02 1.306059568e+02 1.42 1.196698385e+02 1.196698385e+02 1.44 1.095538667e+02 1.095538667e+02 1.46 1.001979943e+02 1.001979943e+02 1.48 9.154940212e+01 9.154940212e+01 1.50 8.356034588e+01 8.356034588e+01 1.52 7.618673619e+01 7.618673619e+01 1.54 6.938734305e+01 6.938734305e+01 1.56 6.312328559e+01 6.312328559e+01 1.58 5.735760840e+01 5.735760840e+01 1.60 5.205499592e+01 5.205499592e+01 1.62 4.718169061e+01 4.718169061e+01 1.64 4.270551484e+01 4.270551484e+01 1.66 3.859583830e+01 3.859583830e+01 1.68 3.482344997e+01 3.482344997e+01 1.70 3.136041173e+01 3.136041173e+01 1.72 2.818043221e+01 2.818043221e+01 1.74 2.526301663e+01 2.526301663e+01 1.76 2.258502175e+01 2.258502175e+01 1.78 2.012351028e+01 2.012351028e+01 1.80 1.785782627e+01 1.785782627e+01 1.82 1.576980370e+01 1.576980370e+01 1.84 1.384392338e+01 1.384392338e+01 1.86 1.206723632e+01 1.206723632e+01 1.88 1.042903729e+01 1.042903729e+01 1.90 8.920357812e+00 8.920357812e+00 1.92 7.533399636e+00 7.533399636e+00 1.94 6.261028791e+00 6.261028791e+00 1.96 5.096406826e+00 5.096406826e+00 1.98 4.032777744e+00 4.032777744e+00 2.00 3.063382921e+00 3.063382921e+00 2.02 2.181457599e+00 2.181457599e+00 2.04 1.380269352e+00 1.380269352e+00 2.06 6.531765247e-01 6.531765247e-01 2.08 -6.299946873e-03 -6.299946873e-03 2.10 -6.043907178e-01 -6.043907178e-01 2.12 -1.146979279e+00 -1.146979279e+00 2.14 -1.639499831e+00 -1.639499831e+00 2.16 -2.086850589e+00 -2.086850589e+00 2.18 -2.493343746e+00 -2.493343746e+00 2.20 -2.862705329e+00 -2.862705329e+00 2.22 -3.198123555e+00 -3.198123555e+00 2.24 -3.502331085e+00 -3.502331085e+00 2.26 -3.777701330e+00 -3.777701330e+00 2.28 -4.026341870e+00 -4.026341870e+00 2.30 -4.250174149e+00 -4.250174149e+00 2.32 -4.450992560e+00 -4.450992560e+00 2.34 -4.630497639e+00 -4.630497639e+00 2.36 -4.790301566e+00 -4.790301566e+00 2.38 -4.931911858e+00 -4.931911858e+00 2.40 -5.056707067e+00 -5.056707067e+00 2.42 -5.165749505e+00 -5.165749505e+00 2.44 -5.260031564e+00 -5.260031564e+00 2.46 -5.340836384e+00 -5.340836384e+00 2.48 -5.409267565e+00 -5.409267565e+00 2.50 -5.466277315e+00 -5.466277315e+00 2.52 -5.512695763e+00 -5.512695763e+00 2.54 -5.549251724e+00 -5.549251724e+00 2.56 -5.576582146e+00 -5.576582146e+00 2.58 -5.594995653e+00 -5.594995653e+00 2.60 -5.604440395e+00 -5.604440395e+00 2.62 -5.604895481e+00 -5.604895481e+00 2.64 -5.596390006e+00 -5.596390006e+00 2.66 -5.579000444e+00 -5.579000444e+00 2.68 -5.552849113e+00 -5.552849113e+00 2.70 -5.518102931e+00 -5.518102931e+00 2.72 -5.474971218e+00 -5.474971218e+00 2.74 -5.423701371e+00 -5.423701371e+00 2.76 -5.364567251e+00 -5.364567251e+00 2.78 -5.297763974e+00 -5.297763974e+00 2.80 -5.223438617e+00 -5.223438617e+00 2.82 -5.141798346e+00 -5.141798346e+00 2.84 -5.053113447e+00 -5.053113447e+00 2.86 -4.957731624e+00 -4.957731624e+00 2.88 -4.856087683e+00 -4.856087683e+00 2.90 -4.748711335e+00 -4.748711335e+00 2.92 -4.636229732e+00 -4.636229732e+00 2.94 -4.519361720e+00 -4.519361720e+00 2.96 -4.398901936e+00 -4.398901936e+00 2.98 -4.275657709e+00 -4.275657709e+00 3.00 -4.150364081e+00 -4.150364081e+00 3.02 -4.023735025e+00 -4.023735025e+00 3.04 -3.896437678e+00 -3.896437678e+00 3.06 -3.769055519e+00 -3.769055519e+00 3.08 -3.642061650e+00 -3.642061650e+00 3.10 -3.515804836e+00 -3.515804836e+00 3.12 -3.390508834e+00 -3.390508834e+00 3.14 -3.266283584e+00 -3.266283584e+00 3.16 -3.143145382e+00 -3.143145382e+00 3.18 -3.021042528e+00 -3.021042528e+00 3.20 -2.899882961e+00 -2.899882961e+00 3.22 -2.779561004e+00 -2.779561004e+00 3.24 -2.659981185e+00 -2.659981185e+00 3.26 -2.541078048e+00 -2.541078048e+00 3.28 -2.422831631e+00 -2.422831631e+00 3.30 -2.305278852e+00 -2.305278852e+00 3.32 -2.188521288e+00 -2.188521288e+00 3.34 -2.072729762e+00 -2.072729762e+00 3.36 -1.958145884e+00 -1.958145884e+00 3.38 -1.845080272e+00 -1.845080272e+00 3.40 -1.733906899e+00 -1.733906899e+00 3.42 -1.625052927e+00 -1.625052927e+00 3.44 -1.518983696e+00 -1.518983696e+00 3.46 -1.416183139e+00 -1.416183139e+00 3.48 -1.317130723e+00 -1.317130723e+00 3.50 -1.222276785e+00 -1.222276785e+00 3.52 -1.132018641e+00 -1.132018641e+00 3.54 -1.046679925e+00 -1.046679925e+00 3.56 -9.664952253e-01 -9.664952253e-01 3.58 -8.916013514e-01 -8.916013514e-01 3.60 -8.220356165e-01 -8.220356165e-01 3.62 -7.577406509e-01 -7.577406509e-01 3.64 -6.985745603e-01 -6.985745603e-01 3.66 -6.443248500e-01 -6.443248500e-01 3.68 -5.947244375e-01 -5.947244375e-01 3.70 -5.494682156e-01 -5.494682156e-01 3.72 -5.082289200e-01 -5.082289200e-01 3.74 -4.706714011e-01 -4.706714011e-01 3.76 -4.364647324e-01 -4.364647324e-01 3.78 -4.052918586e-01 -4.052918586e-01 3.80 -3.768566884e-01 -3.768566884e-01 3.82 -3.508886716e-01 -3.508886716e-01 3.84 -3.271450083e-01 -3.271450083e-01 3.86 -3.054107301e-01 -3.054107301e-01 3.88 -2.854970010e-01 -2.854970010e-01 3.90 -2.672380895e-01 -2.672380895e-01 3.92 -2.504875546e-01 -2.504875546e-01 3.94 -2.351142141e-01 -2.351142141e-01 3.96 -2.209984166e-01 -2.209984166e-01 3.98 -2.080290024e-01 -2.080290024e-01 4.00 -1.961011538e-01 -1.961011538e-01 4.02 -1.851151466e-01 -1.851151466e-01 4.04 -1.749758573e-01 -1.749758573e-01 4.06 -1.655926966e-01 -1.655926966e-01 4.08 -1.568800100e-01 -1.568800100e-01 4.10 -1.487578044e-01 -1.487578044e-01 4.12 -1.411516940e-01 -1.411516940e-01 4.14 -1.339930772e-01 -1.339930772e-01 4.16 -1.272189106e-01 -1.272189106e-01 4.18 -1.207728506e-01 -1.207728506e-01 4.20 -1.146042700e-01 -1.146042700e-01 4.22 -1.086680211e-01 -1.086680211e-01 4.24 -1.029244245e-01 -1.029244245e-01 4.26 -9.733928471e-02 -9.733928471e-02 4.28 -9.188397229e-02 -9.188397229e-02 4.30 -8.653558377e-02 -8.653558377e-02 4.32 -8.127716617e-02 -8.127716617e-02 4.34 -7.609796394e-02 -7.609796394e-02 4.36 -7.099362369e-02 -7.099362369e-02 4.38 -6.596627272e-02 -6.596627272e-02 4.40 -6.102437959e-02 -6.102437959e-02 4.42 -5.618231043e-02 -5.618231043e-02 4.44 -5.145952008e-02 -5.145952008e-02 4.46 -4.687935964e-02 -4.687935964e-02 4.48 -4.246755187e-02 -4.246755187e-02 4.50 -3.825041649e-02 -3.825041649e-02 4.52 -3.425301699e-02 -3.425301699e-02 4.54 -3.049741123e-02 -3.049741123e-02 4.56 -2.700117188e-02 -2.700117188e-02 4.58 -2.377635957e-02 -2.377635957e-02 4.60 -2.082899102e-02 -2.082899102e-02 4.62 -1.815901584e-02 -1.815901584e-02 4.64 -1.576048258e-02 -1.576048258e-02 4.66 -1.362262055e-02 -1.362262055e-02 4.68 -1.173138232e-02 -1.173138232e-02 4.70 -1.006975145e-02 -1.006975145e-02 4.72 -8.618833665e-03 -8.618833665e-03 4.74 -7.358846768e-03 -7.358846768e-03 4.76 -6.269943649e-03 -6.269943649e-03 4.78 -5.332851149e-03 -5.332851149e-03 4.80 -4.529329793e-03 -4.529329793e-03 4.82 -3.842473899e-03 -3.842473899e-03 4.84 -3.256878459e-03 -3.256878459e-03 4.86 -2.758701928e-03 -2.758701928e-03 4.88 -2.335651790e-03 -2.335651790e-03 4.90 -1.976916756e-03 -1.976916756e-03 4.92 -1.673065004e-03 -1.673065004e-03 4.94 -1.415923564e-03 -1.415923564e-03 4.96 -1.198450026e-03 -1.198450026e-03 4.98 -1.014604435e-03 -1.014604435e-03 5.00 -8.592265776e-04 -8.592265776e-04 5.02 -7.279218416e-04 -7.279218416e-04 5.04 -6.169573389e-04 -6.169573389e-04 5.06 -5.231689251e-04 -5.231689251e-04 5.08 -4.438790487e-04 -4.438790487e-04 5.10 -3.768249105e-04 -3.768249105e-04 5.12 -3.200961533e-04 -3.200961533e-04 5.14 -2.720811773e-04 -2.720811773e-04 5.16 -2.314211321e-04 -2.314211321e-04 5.18 -1.969706612e-04 -1.969706612e-04 5.20 -1.677645238e-04 -1.677645238e-04 5.22 -1.429892962e-04 -1.429892962e-04 5.24 -1.219594329e-04 -1.219594329e-04 5.26 -1.040970538e-04 -1.040970538e-04 5.28 -8.891490119e-05 -8.891490119e-05 5.30 -7.600198502e-05 -7.600198502e-05 5.32 -6.501150267e-05 -6.501150267e-05 5.34 -5.565067845e-05 -5.565067845e-05 5.36 -4.767222131e-05 -4.767222131e-05 5.38 -4.086714435e-05 -4.086714435e-05 5.40 -3.505872963e-05 -3.505872963e-05 5.42 -3.009745537e-05 -3.009745537e-05 5.44 -2.585673140e-05 -2.585673140e-05 5.46 -2.222931320e-05 -2.222931320e-05 5.48 -1.912428569e-05 -1.912428569e-05 5.50 -1.646452517e-05 -1.646452517e-05 5.52 -1.418456279e-05 -1.418456279e-05 5.54 -1.222878515e-05 -1.222878515e-05 5.56 -1.054991800e-05 -1.054991800e-05 5.58 -9.107747824e-06 -9.107747824e-06 5.60 -7.868043400e-06 -7.868043400e-06 5.62 -6.801645489e-06 -6.801645489e-06 5.64 -5.883697947e-06 -5.883697947e-06 5.66 -5.092997899e-06 -5.092997899e-06 5.68 -4.411446186e-06 -4.411446186e-06 5.70 -3.823582285e-06 -3.823582285e-06 5.72 -3.316190483e-06 -3.316190483e-06 5.74 -2.877966142e-06 -2.877966142e-06 5.76 -2.499232703e-06 -2.499232703e-06 5.78 -2.171701557e-06 -2.171701557e-06 5.80 -1.888268144e-06 -1.888268144e-06 5.82 -1.642838698e-06 -1.642838698e-06 5.84 -1.430182935e-06 -1.430182935e-06 5.86 -1.245808705e-06 -1.245808705e-06 5.88 -1.085855274e-06 -1.085855274e-06 5.90 -9.470023919e-07 -9.470023919e-07 5.92 -8.263927658e-07 -8.263927658e-07 5.94 -7.215659181e-07 -7.215659181e-07 5.96 -6.304017171e-07 -6.304017171e-07 5.98 -5.510721345e-07 -5.510721345e-07 6.00 -4.820000045e-07 -4.820000045e-07