# 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 = AuFe2Pt # 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 2.886494322e+02 2.886494322e+02 1.30 2.663757847e+02 2.663757847e+02 1.32 2.457602123e+02 2.457602123e+02 1.34 2.266842342e+02 2.266842342e+02 1.36 2.090386617e+02 2.090386617e+02 1.38 1.927168468e+02 1.927168468e+02 1.40 1.776131682e+02 1.776131682e+02 1.42 1.636257773e+02 1.636257773e+02 1.44 1.506600896e+02 1.506600896e+02 1.46 1.386311042e+02 1.386311042e+02 1.48 1.274641196e+02 1.274641196e+02 1.50 1.170935963e+02 1.170935963e+02 1.52 1.074605243e+02 1.074605243e+02 1.54 9.850957368e+01 9.850957368e+01 1.56 9.018735284e+01 9.018735284e+01 1.58 8.244212183e+01 8.244212183e+01 1.60 7.522443247e+01 7.522443247e+01 1.62 6.848816289e+01 6.848816289e+01 1.64 6.219178442e+01 6.219178442e+01 1.66 5.629973587e+01 5.629973587e+01 1.68 5.078346764e+01 5.078346764e+01 1.70 4.562317353e+01 4.562317353e+01 1.72 4.084011242e+01 4.084011242e+01 1.74 3.648029473e+01 3.648029473e+01 1.76 3.251852558e+01 3.251852558e+01 1.78 2.892426214e+01 2.892426214e+01 1.80 2.566569694e+01 2.566569694e+01 1.82 2.271132468e+01 2.271132468e+01 1.84 2.003153518e+01 2.003153518e+01 1.86 1.759960356e+01 1.759960356e+01 1.88 1.539193041e+01 1.539193041e+01 1.90 1.338769736e+01 1.338769736e+01 1.92 1.156824895e+01 1.156824895e+01 1.94 9.916522038e+00 9.916522038e+00 1.96 8.416723813e+00 8.416723813e+00 1.98 7.054271884e+00 7.054271884e+00 2.00 5.815876053e+00 5.815876053e+00 2.02 4.689624858e+00 4.689624858e+00 2.04 3.664999436e+00 3.664999436e+00 2.06 2.732799100e+00 2.732799100e+00 2.08 1.884996097e+00 1.884996097e+00 2.10 1.114549205e+00 1.114549205e+00 2.12 4.152097036e-01 4.152097036e-01 2.14 -2.186491897e-01 -2.186491897e-01 2.16 -7.921593604e-01 -7.921593604e-01 2.18 -1.310038415e+00 -1.310038415e+00 2.20 -1.776635034e+00 -1.776635034e+00 2.22 -2.195954568e+00 -2.195954568e+00 2.24 -2.571676815e+00 -2.571676815e+00 2.26 -2.907172476e+00 -2.907172476e+00 2.28 -3.205521126e+00 -3.205521126e+00 2.30 -3.469531975e+00 -3.469531975e+00 2.32 -3.701767925e+00 -3.701767925e+00 2.34 -3.904572856e+00 -3.904572856e+00 2.36 -4.080101724e+00 -4.080101724e+00 2.38 -4.231260473e+00 -4.231260473e+00 2.40 -4.360794107e+00 -4.360794107e+00 2.42 -4.469953761e+00 -4.469953761e+00 2.44 -4.560022013e+00 -4.560022013e+00 2.46 -4.632334422e+00 -4.632334422e+00 2.48 -4.688287571e+00 -4.688287571e+00 2.50 -4.729337254e+00 -4.729337254e+00 2.52 -4.756981684e+00 -4.756981684e+00 2.54 -4.772726735e+00 -4.772726735e+00 2.56 -4.778035506e+00 -4.778035506e+00 2.58 -4.774271159e+00 -4.774271159e+00 2.60 -4.762646230e+00 -4.762646230e+00 2.62 -4.744192975e+00 -4.744192975e+00 2.64 -4.719825042e+00 -4.719825042e+00 2.66 -4.690157566e+00 -4.690157566e+00 2.68 -4.655614521e+00 -4.655614521e+00 2.70 -4.616517673e+00 -4.616517673e+00 2.72 -4.573100397e+00 -4.573100397e+00 2.74 -4.525549109e+00 -4.525549109e+00 2.76 -4.474022434e+00 -4.474022434e+00 2.78 -4.418664776e+00 -4.418664776e+00 2.80 -4.359611352e+00 -4.359611352e+00 2.82 -4.296997482e+00 -4.296997482e+00 2.84 -4.230922191e+00 -4.230922191e+00 2.86 -4.161294917e+00 -4.161294917e+00 2.88 -4.088060195e+00 -4.088060195e+00 2.90 -4.011277065e+00 -4.011277065e+00 2.92 -3.931117055e+00 -3.931117055e+00 2.94 -3.847857216e+00 -3.847857216e+00 2.96 -3.761865497e+00 -3.761865497e+00 2.98 -3.673577052e+00 -3.673577052e+00 3.00 -3.583462725e+00 -3.583462725e+00 3.02 -3.491993789e+00 -3.491993789e+00 3.04 -3.399656617e+00 -3.399656617e+00 3.06 -3.307088915e+00 -3.307088915e+00 3.08 -3.214853129e+00 -3.214853129e+00 3.10 -3.123367551e+00 -3.123367551e+00 3.12 -3.032933087e+00 -3.032933087e+00 3.14 -2.943765296e+00 -2.943765296e+00 3.16 -2.856025588e+00 -2.856025588e+00 3.18 -2.769847463e+00 -2.769847463e+00 3.20 -2.685355551e+00 -2.685355551e+00 3.22 -2.602676881e+00 -2.602676881e+00 3.24 -2.521944864e+00 -2.521944864e+00 3.26 -2.443297245e+00 -2.443297245e+00 3.28 -2.366869734e+00 -2.366869734e+00 3.30 -2.292787267e+00 -2.292787267e+00 3.32 -2.221154811e+00 -2.221154811e+00 3.34 -2.152049412e+00 -2.152049412e+00 3.36 -2.085514670e+00 -2.085514670e+00 3.38 -2.021558301e+00 -2.021558301e+00 3.40 -1.960152799e+00 -1.960152799e+00 3.42 -1.901238775e+00 -1.901238775e+00 3.44 -1.844730197e+00 -1.844730197e+00 3.46 -1.790520684e+00 -1.790520684e+00 3.48 -1.738490036e+00 -1.738490036e+00 3.50 -1.688510359e+00 -1.688510359e+00 3.52 -1.640451362e+00 -1.640451362e+00 3.54 -1.594184605e+00 -1.594184605e+00 3.56 -1.549586658e+00 -1.549586658e+00 3.58 -1.506541232e+00 -1.506541232e+00 3.60 -1.464940427e+00 -1.464940427e+00 3.62 -1.424685277e+00 -1.424685277e+00 3.64 -1.385685753e+00 -1.385685753e+00 3.66 -1.347860380e+00 -1.347860380e+00 3.68 -1.311135608e+00 -1.311135608e+00 3.70 -1.275445027e+00 -1.275445027e+00 3.72 -1.240728518e+00 -1.240728518e+00 3.74 -1.206931388e+00 -1.206931388e+00 3.76 -1.174003530e+00 -1.174003530e+00 3.78 -1.141898646e+00 -1.141898646e+00 3.80 -1.110573529e+00 -1.110573529e+00 3.82 -1.079987446e+00 -1.079987446e+00 3.84 -1.050101605e+00 -1.050101605e+00 3.86 -1.020878738e+00 -1.020878738e+00 3.88 -9.922827937e-01 -9.922827937e-01 3.90 -9.642787691e-01 -9.642787691e-01 3.92 -9.368326779e-01 -9.368326779e-01 3.94 -9.099116938e-01 -9.099116938e-01 3.96 -8.834844585e-01 -8.834844585e-01 3.98 -8.575215958e-01 -8.575215958e-01 4.00 -8.319964141e-01 -8.319964141e-01 4.02 -8.068857954e-01 -8.068857954e-01 4.04 -7.821712311e-01 -7.821712311e-01 4.06 -7.578399380e-01 -7.578399380e-01 4.08 -7.338859501e-01 -7.338859501e-01 4.10 -7.103110385e-01 -7.103110385e-01 4.12 -6.871253200e-01 -6.871253200e-01 4.14 -6.643473057e-01 -6.643473057e-01 4.16 -6.420033368e-01 -6.420033368e-01 4.18 -6.201262445e-01 -6.201262445e-01 4.20 -5.987532752e-01 -5.987532752e-01 4.22 -5.779234070e-01 -5.779234070e-01 4.24 -5.576743021e-01 -5.576743021e-01 4.26 -5.380392205e-01 -5.380392205e-01 4.28 -5.190442430e-01 -5.190442430e-01 4.30 -5.007061046e-01 -5.007061046e-01 4.32 -4.830308407e-01 -4.830308407e-01 4.34 -4.660133151e-01 -4.660133151e-01 4.36 -4.496375709e-01 -4.496375709e-01 4.38 -4.338778449e-01 -4.338778449e-01 4.40 -4.187000517e-01 -4.187000517e-01 4.42 -4.040634863e-01 -4.040634863e-01 4.44 -3.899225770e-01 -3.899225770e-01 4.46 -3.762285467e-01 -3.762285467e-01 4.48 -3.629314680e-01 -3.629314680e-01 4.50 -3.499804020e-01 -3.499804020e-01 4.52 -3.373244169e-01 -3.373244169e-01 4.54 -3.249141382e-01 -3.249141382e-01 4.56 -3.127030755e-01 -3.127030755e-01 4.58 -3.006477393e-01 -3.006477393e-01 4.60 -2.887082439e-01 -2.887082439e-01 4.62 -2.768490436e-01 -2.768490436e-01 4.64 -2.650397151e-01 -2.650397151e-01 4.66 -2.532557953e-01 -2.532557953e-01 4.68 -2.414796597e-01 -2.414796597e-01 4.70 -2.297013966e-01 -2.297013966e-01 4.72 -2.179196115e-01 -2.179196115e-01 4.74 -2.061420670e-01 -2.061420670e-01 4.76 -1.943860573e-01 -1.943860573e-01 4.78 -1.826784110e-01 -1.826784110e-01 4.80 -1.710550304e-01 -1.710550304e-01 4.82 -1.595599184e-01 -1.595599184e-01 4.84 -1.482436694e-01 -1.482436694e-01 4.86 -1.371614993e-01 -1.371614993e-01 4.88 -1.263709100e-01 -1.263709100e-01 4.90 -1.159291621e-01 -1.159291621e-01 4.92 -1.058907462e-01 -1.058907462e-01 4.94 -9.630504975e-02 -9.630504975e-02 4.96 -8.721439277e-02 -8.721439277e-02 4.98 -7.865255555e-02 -7.865255555e-02 5.00 -7.064386584e-02 -7.064386584e-02 5.02 -6.320285119e-02 -6.320285119e-02 5.04 -5.633441171e-02 -5.633441171e-02 5.06 -5.003443072e-02 -5.003443072e-02 5.08 -4.429072067e-02 -4.429072067e-02 5.10 -3.908419531e-02 -3.908419531e-02 5.12 -3.439016444e-02 -3.439016444e-02 5.14 -3.017966184e-02 -3.017966184e-02 5.16 -2.642072668e-02 -2.642072668e-02 5.18 -2.307958756e-02 -2.307958756e-02 5.20 -2.012171588e-02 -2.012171588e-02 5.22 -1.751271535e-02 -1.751271535e-02 5.24 -1.521871120e-02 -1.521871120e-02 5.26 -1.320715621e-02 -1.320715621e-02 5.28 -1.144830478e-02 -1.144830478e-02 5.30 -9.914247879e-03 -9.914247879e-03 5.32 -8.579130661e-03 -8.579130661e-03 5.34 -7.419288615e-03 -7.419288615e-03 5.36 -6.413278849e-03 -6.413278849e-03 5.38 -5.541835134e-03 -5.541835134e-03 5.40 -4.787770229e-03 -4.787770229e-03 5.42 -4.135844236e-03 -4.135844236e-03 5.44 -3.572613429e-03 -3.572613429e-03 5.46 -3.086270430e-03 -3.086270430e-03 5.48 -2.666483594e-03 -2.666483594e-03 5.50 -2.304241086e-03 -2.304241086e-03 5.52 -1.991703256e-03 -1.991703256e-03 5.54 -1.722065496e-03 -1.722065496e-03 5.56 -1.489432697e-03 -1.489432697e-03 5.58 -1.288705664e-03 -1.288705664e-03 5.60 -1.115479326e-03 -1.115479326e-03 5.62 -9.659522226e-04 -9.659522226e-04 5.64 -8.368465248e-04 -8.368465248e-04 5.66 -7.253377399e-04 -7.253377399e-04 5.68 -6.289932027e-04 -6.289932027e-04 5.70 -5.457184488e-04 -5.457184488e-04 5.72 -4.737106039e-04 -4.737106039e-04 5.74 -4.114179745e-04 -4.114179745e-04 5.76 -3.575050883e-04 -3.575050883e-04 5.78 -3.108225025e-04 -3.108225025e-04 5.80 -2.703807674e-04 -2.703807674e-04 5.82 -2.353279985e-04 -2.353279985e-04 5.84 -2.049305758e-04 -2.049305758e-04 5.86 -1.785565458e-04 -1.785565458e-04 5.88 -1.556613560e-04 -1.556613560e-04 5.90 -1.357755988e-04 -1.357755988e-04 5.92 -1.184944851e-04 -1.184944851e-04 5.94 -1.034688047e-04 -1.034688047e-04 5.96 -9.039716396e-05 -9.039716396e-05 5.98 -7.901932054e-05 -7.901932054e-05 6.00 -6.911045933e-05 -6.911045933e-05