# 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 = CuFeNi2 # 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 1.189773448e+02 1.189773448e+02 1.30 1.086175621e+02 1.086175621e+02 1.32 9.911644468e+01 9.911644468e+01 1.34 9.039164209e+01 9.039164209e+01 1.36 8.237308579e+01 8.237308579e+01 1.38 7.500239066e+01 7.500239066e+01 1.40 6.822962590e+01 6.822962590e+01 1.42 6.201023607e+01 6.201023607e+01 1.44 5.630310027e+01 5.630310027e+01 1.46 5.106936576e+01 5.106936576e+01 1.48 4.627179027e+01 4.627179027e+01 1.50 4.187468765e+01 4.187468765e+01 1.52 3.784448600e+01 3.784448600e+01 1.54 3.415040162e+01 3.415040162e+01 1.56 3.076455516e+01 3.076455516e+01 1.58 2.766145207e+01 2.766145207e+01 1.60 2.481758634e+01 2.481758634e+01 1.62 2.221153261e+01 2.221153261e+01 1.64 1.982409503e+01 1.982409503e+01 1.66 1.763807800e+01 1.763807800e+01 1.68 1.563780625e+01 1.563780625e+01 1.70 1.380856686e+01 1.380856686e+01 1.72 1.213620371e+01 1.213620371e+01 1.74 1.060699322e+01 1.060699322e+01 1.76 9.207820249e+00 9.207820249e+00 1.78 7.926550029e+00 7.926550029e+00 1.80 6.752402060e+00 6.752402060e+00 1.82 5.676144912e+00 5.676144912e+00 1.84 4.690025233e+00 4.690025233e+00 1.86 3.787464789e+00 3.787464789e+00 1.88 2.962656385e+00 2.962656385e+00 1.90 2.210207661e+00 2.210207661e+00 1.92 1.524920219e+00 1.524920219e+00 1.94 9.017134230e-01 9.017134230e-01 1.96 3.356540083e-01 3.356540083e-01 1.98 -1.779642169e-01 -1.779642169e-01 2.00 -6.435412951e-01 -6.435412951e-01 2.02 -1.065121804e+00 -1.065121804e+00 2.04 -1.446378290e+00 -1.446378290e+00 2.06 -1.790616185e+00 -1.790616185e+00 2.08 -2.100790351e+00 -2.100790351e+00 2.10 -2.379530603e+00 -2.379530603e+00 2.12 -2.629177334e+00 -2.629177334e+00 2.14 -2.851827518e+00 -2.851827518e+00 2.16 -3.049388802e+00 -3.049388802e+00 2.18 -3.223636895e+00 -3.223636895e+00 2.20 -3.376269435e+00 -3.376269435e+00 2.22 -3.508948826e+00 -3.508948826e+00 2.24 -3.623328741e+00 -3.623328741e+00 2.26 -3.721064300e+00 -3.721064300e+00 2.28 -3.803810877e+00 -3.803810877e+00 2.30 -3.873215709e+00 -3.873215709e+00 2.32 -3.930899216e+00 -3.930899216e+00 2.34 -3.978417781e+00 -3.978417781e+00 2.36 -4.017197593e+00 -4.017197593e+00 2.38 -4.048472989e+00 -4.048472989e+00 2.40 -4.073233976e+00 -4.073233976e+00 2.42 -4.092211800e+00 -4.092211800e+00 2.44 -4.105909242e+00 -4.105909242e+00 2.46 -4.114713977e+00 -4.114713977e+00 2.48 -4.118959729e+00 -4.118959729e+00 2.50 -4.118204657e+00 -4.118204657e+00 2.52 -4.112050020e+00 -4.112050020e+00 2.54 -4.100255251e+00 -4.100255251e+00 2.56 -4.082709573e+00 -4.082709573e+00 2.58 -4.059405520e+00 -4.059405520e+00 2.60 -4.030418026e+00 -4.030418026e+00 2.62 -3.995913111e+00 -3.995913111e+00 2.64 -3.956096073e+00 -3.956096073e+00 2.66 -3.911143164e+00 -3.911143164e+00 2.68 -3.861304384e+00 -3.861304384e+00 2.70 -3.806918427e+00 -3.806918427e+00 2.72 -3.748408071e+00 -3.748408071e+00 2.74 -3.686266098e+00 -3.686266098e+00 2.76 -3.621030135e+00 -3.621030135e+00 2.78 -3.553249426e+00 -3.553249426e+00 2.80 -3.483450496e+00 -3.483450496e+00 2.82 -3.412109572e+00 -3.412109572e+00 2.84 -3.339636949e+00 -3.339636949e+00 2.86 -3.266373830e+00 -3.266373830e+00 2.88 -3.192598192e+00 -3.192598192e+00 2.90 -3.118534772e+00 -3.118534772e+00 2.92 -3.044365094e+00 -3.044365094e+00 2.94 -2.970235476e+00 -2.970235476e+00 2.96 -2.896262775e+00 -2.896262775e+00 2.98 -2.822538609e+00 -2.822538609e+00 3.00 -2.749133044e+00 -2.749133044e+00 3.02 -2.676098419e+00 -2.676098419e+00 3.04 -2.603473655e+00 -2.603473655e+00 3.06 -2.531289021e+00 -2.531289021e+00 3.08 -2.459571168e+00 -2.459571168e+00 3.10 -2.388348162e+00 -2.388348162e+00 3.12 -2.317654224e+00 -2.317654224e+00 3.14 -2.247533898e+00 -2.247533898e+00 3.16 -2.178045397e+00 -2.178045397e+00 3.18 -2.109262877e+00 -2.109262877e+00 3.20 -2.041277407e+00 -2.041277407e+00 3.22 -1.974196438e+00 -1.974196438e+00 3.24 -1.908141630e+00 -1.908141630e+00 3.26 -1.843245033e+00 -1.843245033e+00 3.28 -1.779643794e+00 -1.779643794e+00 3.30 -1.717473771e+00 -1.717473771e+00 3.32 -1.656862640e+00 -1.656862640e+00 3.34 -1.597923185e+00 -1.597923185e+00 3.36 -1.540747500e+00 -1.540747500e+00 3.38 -1.485402669e+00 -1.485402669e+00 3.40 -1.431928315e+00 -1.431928315e+00 3.42 -1.380336093e+00 -1.380336093e+00 3.44 -1.330610964e+00 -1.330610964e+00 3.46 -1.282713902e+00 -1.282713902e+00 3.48 -1.236585543e+00 -1.236585543e+00 3.50 -1.192150339e+00 -1.192150339e+00 3.52 -1.149320779e+00 -1.149320779e+00 3.54 -1.108001377e+00 -1.108001377e+00 3.56 -1.068092255e+00 -1.068092255e+00 3.58 -1.029492210e+00 -1.029492210e+00 3.60 -9.921013244e-01 -9.921013244e-01 3.62 -9.558231562e-01 -9.558231562e-01 3.64 -9.205666726e-01 -9.205666726e-01 3.66 -8.862480394e-01 -8.862480394e-01 3.68 -8.527924018e-01 -8.527924018e-01 3.70 -8.201357311e-01 -8.201357311e-01 3.72 -7.882267433e-01 -7.882267433e-01 3.74 -7.570287939e-01 -7.570287939e-01 3.76 -7.265215427e-01 -7.265215427e-01 3.78 -6.967020785e-01 -6.967020785e-01 3.80 -6.675851276e-01 -6.675851276e-01 3.82 -6.392019808e-01 -6.392019808e-01 3.84 -6.115978798e-01 -6.115978798e-01 3.86 -5.848278191e-01 -5.848278191e-01 3.88 -5.589510108e-01 -5.589510108e-01 3.90 -5.340245562e-01 -5.340245562e-01 3.92 -5.100970920e-01 -5.100970920e-01 3.94 -4.872032457e-01 -4.872032457e-01 3.96 -4.653596131e-01 -4.653596131e-01 3.98 -4.445626911e-01 -4.445626911e-01 4.00 -4.247888376e-01 -4.247888376e-01 4.02 -4.059959957e-01 -4.059959957e-01 4.04 -3.881266895e-01 -3.881266895e-01 4.06 -3.711117077e-01 -3.711117077e-01 4.08 -3.548739396e-01 -3.548739396e-01 4.10 -3.393319540e-01 -3.393319540e-01 4.12 -3.244030786e-01 -3.244030786e-01 4.14 -3.100058899e-01 -3.100058899e-01 4.16 -2.960621453e-01 -2.960621453e-01 4.18 -2.824982618e-01 -2.824982618e-01 4.20 -2.692464809e-01 -2.692464809e-01 4.22 -2.562458614e-01 -2.562458614e-01 4.24 -2.434432206e-01 -2.434432206e-01 4.26 -2.307941065e-01 -2.307941065e-01 4.28 -2.182638402e-01 -2.182638402e-01 4.30 -2.058286090e-01 -2.058286090e-01 4.32 -1.934765408e-01 -1.934765408e-01 4.34 -1.812086339e-01 -1.812086339e-01 4.36 -1.690393729e-01 -1.690393729e-01 4.38 -1.569968371e-01 -1.569968371e-01 4.40 -1.451221141e-01 -1.451221141e-01 4.42 -1.334678707e-01 -1.334678707e-01 4.44 -1.220960184e-01 -1.220960184e-01 4.46 -1.110745251e-01 -1.110745251e-01 4.48 -1.004735615e-01 -1.004735615e-01 4.50 -9.036129127e-02 -9.036129127e-02 4.52 -8.079970292e-02 -8.079970292e-02 4.54 -7.184090082e-02 -7.184090082e-02 4.56 -6.352423001e-02 -6.352423001e-02 4.58 -5.587448962e-02 -5.587448962e-02 4.60 -4.890133636e-02 -4.890133636e-02 4.62 -4.259965208e-02 -4.259965208e-02 4.64 -3.695109722e-02 -3.695109722e-02 4.66 -3.192693445e-02 -3.192693445e-02 4.68 -2.748983555e-02 -2.748983555e-02 4.70 -2.359649229e-02 -2.359649229e-02 4.72 -2.020008561e-02 -2.020008561e-02 4.74 -1.725189054e-02 -1.725189054e-02 4.76 -1.470447277e-02 -1.470447277e-02 4.78 -1.251238903e-02 -1.251238903e-02 4.80 -1.063269967e-02 -1.063269967e-02 4.82 -9.025680425e-03 -9.025680425e-03 4.84 -7.655202778e-03 -7.655202778e-03 4.86 -6.488862113e-03 -6.488862113e-03 4.88 -5.497923909e-03 -5.497923909e-03 4.90 -4.657147205e-03 -4.657147205e-03 4.92 -3.944532301e-03 -3.944532301e-03 4.94 -3.341028232e-03 -3.341028232e-03 4.96 -2.830225767e-03 -2.830225767e-03 4.98 -2.398053622e-03 -2.398053622e-03 5.00 -2.032489380e-03 -2.032489380e-03 5.02 -1.723291905e-03 -1.723291905e-03 5.04 -1.461758686e-03 -1.461758686e-03 5.06 -1.240509228e-03 -1.240509228e-03 5.08 -1.053294027e-03 -1.053294027e-03 5.10 -8.948277512e-04 -8.948277512e-04 5.12 -7.606446730e-04 -7.606446730e-04 5.14 -6.469741738e-04 -6.469741738e-04 5.16 -5.506340696e-04 -5.506340696e-04 5.18 -4.689395827e-04 -4.689395827e-04 5.20 -3.996259198e-04 -3.996259198e-04 5.22 -3.407825994e-04 -3.407825994e-04 5.24 -2.907978648e-04 -2.907978648e-04 5.26 -2.483117128e-04 -2.483117128e-04 5.28 -2.121762565e-04 -2.121762565e-04 5.30 -1.814223104e-04 -1.814223104e-04 5.32 -1.552312430e-04 -1.552312430e-04 5.34 -1.329112784e-04 -1.329112784e-04 5.36 -1.138775519e-04 -1.138775519e-04 5.38 -9.763532718e-05 -9.763532718e-05 5.40 -8.376587491e-05 -8.376587491e-05 5.42 -7.191459066e-05 -7.191459066e-05 5.44 -6.178099464e-05 -6.178099464e-05 5.46 -5.311031378e-05 -5.311031378e-05 5.48 -4.568639341e-05 -4.568639341e-05 5.50 -3.932572625e-05 -3.932572625e-05 5.52 -3.387242068e-05 -3.387242068e-05 5.54 -2.919395839e-05 -2.919395839e-05 5.56 -2.517761589e-05 -2.517761589e-05 5.58 -2.172744430e-05 -2.172744430e-05 5.60 -1.876171905e-05 -1.876171905e-05 5.62 -1.621078501e-05 -1.621078501e-05 5.64 -1.401523472e-05 -1.401523472e-05 5.66 -1.212436726e-05 -1.212436726e-05 5.68 -1.049488378e-05 -1.049488378e-05 5.70 -9.089782531e-06 -9.089782531e-06 5.72 -7.877422420e-06 -7.877422420e-06 5.74 -6.830728800e-06 -6.830728800e-06 5.76 -5.926519474e-06 -5.926519474e-06 5.78 -5.144932349e-06 -5.144932349e-06 5.80 -4.468939089e-06 -4.468939089e-06 5.82 -3.883931586e-06 -3.883931586e-06 5.84 -3.377370105e-06 -3.377370105e-06 5.86 -2.938483712e-06 -2.938483712e-06 5.88 -2.558015061e-06 -2.558015061e-06 5.90 -2.228002822e-06 -2.228002822e-06 5.92 -1.941596078e-06 -1.941596078e-06 5.94 -1.692895899e-06 -1.692895899e-06 5.96 -1.476820026e-06 -1.476820026e-06 5.98 -1.288987210e-06 -1.288987210e-06 6.00 -1.125618313e-06 -1.125618313e-06