# 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 = Cu2FeZr # 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 1.721561897e+02 1.721561897e+02 1.30 1.581366045e+02 1.581366045e+02 1.32 1.452257462e+02 1.452257462e+02 1.34 1.333286049e+02 1.333286049e+02 1.36 1.223600230e+02 1.223600230e+02 1.38 1.122443617e+02 1.122443617e+02 1.40 1.029143584e+02 1.029143584e+02 1.42 9.430938647e+01 9.430938647e+01 1.44 8.637372494e+01 8.637372494e+01 1.46 7.905553600e+01 7.905553600e+01 1.48 7.230656075e+01 7.230656075e+01 1.50 6.608195754e+01 6.608195754e+01 1.52 6.034008977e+01 6.034008977e+01 1.54 5.504229692e+01 5.504229692e+01 1.56 5.015280174e+01 5.015280174e+01 1.58 4.563886694e+01 4.563886694e+01 1.60 4.147102485e+01 4.147102485e+01 1.62 3.762308398e+01 3.762308398e+01 1.64 3.407175342e+01 3.407175342e+01 1.66 3.079598778e+01 3.079598778e+01 1.68 2.777628881e+01 2.777628881e+01 1.70 2.499459263e+01 2.499459263e+01 1.72 2.243372864e+01 2.243372864e+01 1.74 2.007673925e+01 2.007673925e+01 1.76 1.790739730e+01 1.790739730e+01 1.78 1.591054332e+01 1.591054332e+01 1.80 1.407215240e+01 1.407215240e+01 1.82 1.237953195e+01 1.237953195e+01 1.84 1.082106464e+01 1.082106464e+01 1.86 9.386103543e+00 9.386103543e+00 1.88 8.064924330e+00 8.064924330e+00 1.90 6.848724955e+00 6.848724955e+00 1.92 5.729574594e+00 5.729574594e+00 1.94 4.700310130e+00 4.700310130e+00 1.96 3.754380692e+00 3.754380692e+00 1.98 2.885750833e+00 2.885750833e+00 2.00 2.088842551e+00 2.088842551e+00 2.02 1.358487980e+00 1.358487980e+00 2.04 6.898838620e-01 6.898838620e-01 2.06 7.854530515e-02 7.854530515e-02 2.08 -4.797408372e-01 -4.797408372e-01 2.10 -9.889421433e-01 -9.889421433e-01 2.12 -1.452783624e+00 -1.452783624e+00 2.14 -1.874739498e+00 -1.874739498e+00 2.16 -2.258012987e+00 -2.258012987e+00 2.18 -2.605545938e+00 -2.605545938e+00 2.20 -2.920049285e+00 -2.920049285e+00 2.22 -3.204061165e+00 -3.204061165e+00 2.24 -3.459987848e+00 -3.459987848e+00 2.26 -3.690117781e+00 -3.690117781e+00 2.28 -3.896624924e+00 -3.896624924e+00 2.30 -4.081533069e+00 -4.081533069e+00 2.32 -4.246724458e+00 -4.246724458e+00 2.34 -4.393895162e+00 -4.393895162e+00 2.36 -4.524554344e+00 -4.524554344e+00 2.38 -4.640053318e+00 -4.640053318e+00 2.40 -4.741524980e+00 -4.741524980e+00 2.42 -4.829818622e+00 -4.829818622e+00 2.44 -4.905692668e+00 -4.905692668e+00 2.46 -4.969859666e+00 -4.969859666e+00 2.48 -5.023013093e+00 -5.023013093e+00 2.50 -5.065840510e+00 -5.065840510e+00 2.52 -5.098996452e+00 -5.098996452e+00 2.54 -5.122960180e+00 -5.122960180e+00 2.56 -5.138171636e+00 -5.138171636e+00 2.58 -5.145093606e+00 -5.145093606e+00 2.60 -5.144201089e+00 -5.144201089e+00 2.62 -5.135976845e+00 -5.135976845e+00 2.64 -5.120923868e+00 -5.120923868e+00 2.66 -5.099554610e+00 -5.099554610e+00 2.68 -5.072403884e+00 -5.072403884e+00 2.70 -5.040022807e+00 -5.040022807e+00 2.72 -5.002969898e+00 -5.002969898e+00 2.74 -4.961796909e+00 -4.961796909e+00 2.76 -4.917031988e+00 -4.917031988e+00 2.78 -4.869164115e+00 -4.869164115e+00 2.80 -4.818694234e+00 -4.818694234e+00 2.82 -4.766367966e+00 -4.766367966e+00 2.84 -4.712266535e+00 -4.712266535e+00 2.86 -4.656367399e+00 -4.656367399e+00 2.88 -4.598695236e+00 -4.598695236e+00 2.90 -4.539315122e+00 -4.539315122e+00 2.92 -4.478324193e+00 -4.478324193e+00 2.94 -4.415842165e+00 -4.415842165e+00 2.96 -4.351977329e+00 -4.351977329e+00 2.98 -4.286771826e+00 -4.286771826e+00 3.00 -4.220298517e+00 -4.220298517e+00 3.02 -4.152651653e+00 -4.152651653e+00 3.04 -4.083919669e+00 -4.083919669e+00 3.06 -4.014190437e+00 -4.014190437e+00 3.08 -3.943538016e+00 -3.943538016e+00 3.10 -3.872032935e+00 -3.872032935e+00 3.12 -3.799739809e+00 -3.799739809e+00 3.14 -3.726730022e+00 -3.726730022e+00 3.16 -3.653070141e+00 -3.653070141e+00 3.18 -3.578836410e+00 -3.578836410e+00 3.20 -3.504115411e+00 -3.504115411e+00 3.22 -3.429007510e+00 -3.429007510e+00 3.24 -3.353629984e+00 -3.353629984e+00 3.26 -3.278119301e+00 -3.278119301e+00 3.28 -3.202631588e+00 -3.202631588e+00 3.30 -3.127340212e+00 -3.127340212e+00 3.32 -3.052429851e+00 -3.052429851e+00 3.34 -2.978087429e+00 -2.978087429e+00 3.36 -2.904491397e+00 -2.904491397e+00 3.38 -2.831801538e+00 -2.831801538e+00 3.40 -2.760150135e+00 -2.760150135e+00 3.42 -2.689643080e+00 -2.689643080e+00 3.44 -2.620351627e+00 -2.620351627e+00 3.46 -2.552320768e+00 -2.552320768e+00 3.48 -2.485571958e+00 -2.485571958e+00 3.50 -2.420107861e+00 -2.420107861e+00 3.52 -2.355916795e+00 -2.355916795e+00 3.54 -2.292976482e+00 -2.292976482e+00 3.56 -2.231257035e+00 -2.231257035e+00 3.58 -2.170723298e+00 -2.170723298e+00 3.60 -2.111336723e+00 -2.111336723e+00 3.62 -2.053057015e+00 -2.053057015e+00 3.64 -1.995843729e+00 -1.995843729e+00 3.66 -1.939657975e+00 -1.939657975e+00 3.68 -1.884464335e+00 -1.884464335e+00 3.70 -1.830233029e+00 -1.830233029e+00 3.72 -1.776942280e+00 -1.776942280e+00 3.74 -1.724580742e+00 -1.724580742e+00 3.76 -1.673149710e+00 -1.673149710e+00 3.78 -1.622664777e+00 -1.622664777e+00 3.80 -1.573156485e+00 -1.573156485e+00 3.82 -1.524669570e+00 -1.524669570e+00 3.84 -1.477260486e+00 -1.477260486e+00 3.86 -1.430993171e+00 -1.430993171e+00 3.88 -1.385933325e+00 -1.385933325e+00 3.90 -1.342141868e+00 -1.342141868e+00 3.92 -1.299666850e+00 -1.299666850e+00 3.94 -1.258544780e+00 -1.258544780e+00 3.96 -1.218786372e+00 -1.218786372e+00 3.98 -1.180382741e+00 -1.180382741e+00 4.00 -1.143304287e+00 -1.143304287e+00 4.02 -1.107503363e+00 -1.107503363e+00 4.04 -1.072918064e+00 -1.072918064e+00 4.06 -1.039476448e+00 -1.039476448e+00 4.08 -1.007100615e+00 -1.007100615e+00 4.10 -9.757063363e-01 -9.757063363e-01 4.12 -9.452224340e-01 -9.452224340e-01 4.14 -9.155669399e-01 -9.155669399e-01 4.16 -8.866670604e-01 -8.866670604e-01 4.18 -8.584554838e-01 -8.584554838e-01 4.20 -8.308713045e-01 -8.308713045e-01 4.22 -8.038608195e-01 -8.038608195e-01 4.24 -7.773782971e-01 -7.773782971e-01 4.26 -7.513867661e-01 -7.513867661e-01 4.28 -7.258588235e-01 -7.258588235e-01 4.30 -7.007774030e-01 -7.007774030e-01 4.32 -6.761364012e-01 -6.761364012e-01 4.34 -6.519410209e-01 -6.519410209e-01 4.36 -6.282076742e-01 -6.282076742e-01 4.38 -6.049632998e-01 -6.049632998e-01 4.40 -5.822439897e-01 -5.822439897e-01 4.42 -5.600929021e-01 -5.600929021e-01 4.44 -5.385575320e-01 -5.385575320e-01 4.46 -5.176865242e-01 -5.176865242e-01 4.48 -4.975263019e-01 -4.975263019e-01 4.50 -4.781178362e-01 -4.781178362e-01 4.52 -4.594938808e-01 -4.594938808e-01 4.54 -4.416769333e-01 -4.416769333e-01 4.56 -4.246780830e-01 -4.246780830e-01 4.58 -4.084967795e-01 -4.084967795e-01 4.60 -3.931214384e-01 -3.931214384e-01 4.62 -3.785307115e-01 -3.785307115e-01 4.64 -3.646952011e-01 -3.646952011e-01 4.66 -3.515793889e-01 -3.515793889e-01 4.68 -3.391435811e-01 -3.391435811e-01 4.70 -3.273457112e-01 -3.273457112e-01 4.72 -3.161426760e-01 -3.161426760e-01 4.74 -3.054920759e-01 -3.054920759e-01 4.76 -2.953531006e-01 -2.953531006e-01 4.78 -2.856869215e-01 -2.856869215e-01 4.80 -2.764539902e-01 -2.764539902e-01 4.82 -2.676275438e-01 -2.676275438e-01 4.84 -2.591729013e-01 -2.591729013e-01 4.86 -2.510619608e-01 -2.510619608e-01 4.88 -2.432692378e-01 -2.432692378e-01 4.90 -2.357716826e-01 -2.357716826e-01 4.92 -2.285484678e-01 -2.285484678e-01 4.94 -2.215807649e-01 -2.215807649e-01 4.96 -2.148515202e-01 -2.148515202e-01 4.98 -2.083452411e-01 -2.083452411e-01 5.00 -2.020477975e-01 -2.020477975e-01 5.02 -1.959462402e-01 -1.959462402e-01 5.04 -1.900286405e-01 -1.900286405e-01 5.06 -1.842839505e-01 -1.842839505e-01 5.08 -1.787018842e-01 -1.787018842e-01 5.10 -1.732728204e-01 -1.732728204e-01 5.12 -1.679877271e-01 -1.679877271e-01 5.14 -1.628381073e-01 -1.628381073e-01 5.16 -1.578159666e-01 -1.578159666e-01 5.18 -1.529138036e-01 -1.529138036e-01 5.20 -1.481246220e-01 -1.481246220e-01 5.22 -1.434419651e-01 -1.434419651e-01 5.24 -1.388599715e-01 -1.388599715e-01 5.26 -1.343734498e-01 -1.343734498e-01 5.28 -1.299779692e-01 -1.299779692e-01 5.30 -1.256699585e-01 -1.256699585e-01 5.32 -1.214468083e-01 -1.214468083e-01 5.34 -1.173069619e-01 -1.173069619e-01 5.36 -1.132499851e-01 -1.132499851e-01 5.38 -1.092765994e-01 -1.092765994e-01 5.40 -1.053886639e-01 -1.053886639e-01 5.42 -1.015890959e-01 -1.015890959e-01 5.44 -9.788172067e-02 -9.788172067e-02 5.46 -9.427105344e-02 -9.427105344e-02 5.48 -9.076201699e-02 -9.076201699e-02 5.50 -8.735961614e-02 -8.735961614e-02 5.52 -8.406859216e-02 -8.406859216e-02 5.54 -8.089308516e-02 -8.089308516e-02 5.56 -7.783633434e-02 -7.783633434e-02 5.58 -7.490044160e-02 -7.490044160e-02 5.60 -7.208603730e-02 -7.208603730e-02 5.62 -6.939247740e-02 -6.939247740e-02 5.64 -6.681805038e-02 -6.681805038e-02 5.66 -6.435974199e-02 -6.435974199e-02 5.68 -6.201340035e-02 -6.201340035e-02 5.70 -5.977393919e-02 -5.977393919e-02 5.72 -5.763555640e-02 -5.763555640e-02 5.74 -5.559194964e-02 -5.559194964e-02 5.76 -5.363651501e-02 -5.363651501e-02 5.78 -5.176251995e-02 -5.176251995e-02 5.80 -4.996324574e-02 -4.996324574e-02 5.82 -4.823209914e-02 -4.823209914e-02 5.84 -4.656269504e-02 -4.656269504e-02 5.86 -4.494891406e-02 -4.494891406e-02 5.88 -4.338493979e-02 -4.338493979e-02 5.90 -4.186528078e-02 -4.186528078e-02 5.92 -4.038478213e-02 -4.038478213e-02 5.94 -3.893863105e-02 -3.893863105e-02 5.96 -3.752236046e-02 -3.752236046e-02 5.98 -3.613185358e-02 -3.613185358e-02 6.00 -3.476335229e-02 -3.476335229e-02