# 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 = Cu2NiZr # 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 1.493053783e+02 1.493053783e+02 1.30 1.374597118e+02 1.374597118e+02 1.32 1.265254577e+02 1.265254577e+02 1.34 1.164279889e+02 1.164279889e+02 1.36 1.071005114e+02 1.071005114e+02 1.38 9.848355419e+01 9.848355419e+01 1.40 9.052344439e+01 9.052344439e+01 1.42 8.317055524e+01 8.317055524e+01 1.44 7.637800914e+01 7.637800914e+01 1.46 7.010124395e+01 7.010124395e+01 1.48 6.429825088e+01 6.429825088e+01 1.50 5.892989850e+01 5.892989850e+01 1.52 5.396018466e+01 5.396018466e+01 1.54 4.935635746e+01 4.935635746e+01 1.56 4.508884279e+01 4.508884279e+01 1.58 4.113110543e+01 4.113110543e+01 1.60 3.745956689e+01 3.745956689e+01 1.62 3.405353991e+01 3.405353991e+01 1.64 3.089497798e+01 3.089497798e+01 1.66 2.796795419e+01 2.796795419e+01 1.68 2.525799675e+01 2.525799675e+01 1.70 2.275184683e+01 2.275184683e+01 1.72 2.043694531e+01 2.043694531e+01 1.74 1.830047575e+01 1.830047575e+01 1.76 1.632977367e+01 1.632977367e+01 1.78 1.451241652e+01 1.451241652e+01 1.80 1.283642585e+01 1.283642585e+01 1.82 1.129062430e+01 1.129062430e+01 1.84 9.864602147e+00 9.864602147e+00 1.86 8.548772443e+00 8.548772443e+00 1.88 7.334391245e+00 7.334391245e+00 1.90 6.213574439e+00 6.213574439e+00 1.92 5.179256071e+00 5.179256071e+00 1.94 4.225111727e+00 4.225111727e+00 1.96 3.345440077e+00 3.345440077e+00 1.98 2.535097594e+00 2.535097594e+00 2.00 1.789448140e+00 1.789448140e+00 2.02 1.104290895e+00 1.104290895e+00 2.04 4.757653404e-01 4.757653404e-01 2.06 -9.974968399e-02 -9.974968399e-02 2.08 -6.257218391e-01 -6.257218391e-01 2.10 -1.105506574e+00 -1.105506574e+00 2.12 -1.542339997e+00 -1.542339997e+00 2.14 -1.939307155e+00 -1.939307155e+00 2.16 -2.299295712e+00 -2.299295712e+00 2.18 -2.624985573e+00 -2.624985573e+00 2.20 -2.918868989e+00 -2.918868989e+00 2.22 -3.183306713e+00 -3.183306713e+00 2.24 -3.420572058e+00 -3.420572058e+00 2.26 -3.632870024e+00 -3.632870024e+00 2.28 -3.822344727e+00 -3.822344727e+00 2.30 -3.991048605e+00 -3.991048605e+00 2.32 -4.140950005e+00 -4.140950005e+00 2.34 -4.273880630e+00 -4.273880630e+00 2.36 -4.391515424e+00 -4.391515424e+00 2.38 -4.495329020e+00 -4.495329020e+00 2.40 -4.586639985e+00 -4.586639985e+00 2.42 -4.666470492e+00 -4.666470492e+00 2.44 -4.735611463e+00 -4.735611463e+00 2.46 -4.794767909e+00 -4.794767909e+00 2.48 -4.844594461e+00 -4.844594461e+00 2.50 -4.885715415e+00 -4.885715415e+00 2.52 -4.918728217e+00 -4.918728217e+00 2.54 -4.944180129e+00 -4.944180129e+00 2.56 -4.962443309e+00 -4.962443309e+00 2.58 -4.973816491e+00 -4.973816491e+00 2.60 -4.978604676e+00 -4.978604676e+00 2.62 -4.977123626e+00 -4.977123626e+00 2.64 -4.969719462e+00 -4.969719462e+00 2.66 -4.956769388e+00 -4.956769388e+00 2.68 -4.938701659e+00 -4.938701659e+00 2.70 -4.915992410e+00 -4.915992410e+00 2.72 -4.889154908e+00 -4.889154908e+00 2.74 -4.858718385e+00 -4.858718385e+00 2.76 -4.825199801e+00 -4.825199801e+00 2.78 -4.789048365e+00 -4.789048365e+00 2.80 -4.750565146e+00 -4.750565146e+00 2.82 -4.710046978e+00 -4.710046978e+00 2.84 -4.667992568e+00 -4.667992568e+00 2.86 -4.624279062e+00 -4.624279062e+00 2.88 -4.578734412e+00 -4.578734412e+00 2.90 -4.531237684e+00 -4.531237684e+00 2.92 -4.481717869e+00 -4.481717869e+00 2.94 -4.430150697e+00 -4.430150697e+00 2.96 -4.376553253e+00 -4.376553253e+00 2.98 -4.320976969e+00 -4.320976969e+00 3.00 -4.263500077e+00 -4.263500077e+00 3.02 -4.204237657e+00 -4.204237657e+00 3.04 -4.143335397e+00 -4.143335397e+00 3.06 -4.080947639e+00 -4.080947639e+00 3.08 -4.017217968e+00 -4.017217968e+00 3.10 -3.952288311e+00 -3.952288311e+00 3.12 -3.886293357e+00 -3.886293357e+00 3.14 -3.819369307e+00 -3.819369307e+00 3.16 -3.751638815e+00 -3.751638815e+00 3.18 -3.683220697e+00 -3.683220697e+00 3.20 -3.614226581e+00 -3.614226581e+00 3.22 -3.544761116e+00 -3.544761116e+00 3.24 -3.474923389e+00 -3.474923389e+00 3.26 -3.404809544e+00 -3.404809544e+00 3.28 -3.334515833e+00 -3.334515833e+00 3.30 -3.264140912e+00 -3.264140912e+00 3.32 -3.193786270e+00 -3.193786270e+00 3.34 -3.123554406e+00 -3.123554406e+00 3.36 -3.053545310e+00 -3.053545310e+00 3.38 -2.983852508e+00 -2.983852508e+00 3.40 -2.914558821e+00 -2.914558821e+00 3.42 -2.845739675e+00 -2.845739675e+00 3.44 -2.777455599e+00 -2.777455599e+00 3.46 -2.709758876e+00 -2.709758876e+00 3.48 -2.642693633e+00 -2.642693633e+00 3.50 -2.576297186e+00 -2.576297186e+00 3.52 -2.510600899e+00 -2.510600899e+00 3.54 -2.445630561e+00 -2.445630561e+00 3.56 -2.381406475e+00 -2.381406475e+00 3.58 -2.317943473e+00 -2.317943473e+00 3.60 -2.255251093e+00 -2.255251093e+00 3.62 -2.193334091e+00 -2.193334091e+00 3.64 -2.132193404e+00 -2.132193404e+00 3.66 -2.071827683e+00 -2.071827683e+00 3.68 -2.012235393e+00 -2.012235393e+00 3.70 -1.953417507e+00 -1.953417507e+00 3.72 -1.895380661e+00 -1.895380661e+00 3.74 -1.838140588e+00 -1.838140588e+00 3.76 -1.781725468e+00 -1.781725468e+00 3.78 -1.726178723e+00 -1.726178723e+00 3.80 -1.671560663e+00 -1.671560663e+00 3.82 -1.617948390e+00 -1.617948390e+00 3.84 -1.565433484e+00 -1.565433484e+00 3.86 -1.514117291e+00 -1.514117291e+00 3.88 -1.464104063e+00 -1.464104063e+00 3.90 -1.415492688e+00 -1.415492688e+00 3.92 -1.368366725e+00 -1.368366725e+00 3.94 -1.322792871e+00 -1.322792871e+00 3.96 -1.278806113e+00 -1.278806113e+00 3.98 -1.236413885e+00 -1.236413885e+00 4.00 -1.195594703e+00 -1.195594703e+00 4.02 -1.156301107e+00 -1.156301107e+00 4.04 -1.118464326e+00 -1.118464326e+00 4.06 -1.081999784e+00 -1.081999784e+00 4.08 -1.046812632e+00 -1.046812632e+00 4.10 -1.012798906e+00 -1.012798906e+00 4.12 -9.798658346e-01 -9.798658346e-01 4.14 -9.479096227e-01 -9.479096227e-01 4.16 -9.168358301e-01 -9.168358301e-01 4.18 -8.865563759e-01 -8.865563759e-01 4.20 -8.569908725e-01 -8.569908725e-01 4.22 -8.280677022e-01 -8.280677022e-01 4.24 -7.997249873e-01 -7.997249873e-01 4.26 -7.719115470e-01 -7.719115470e-01 4.28 -7.445878697e-01 -7.445878697e-01 4.30 -7.177270660e-01 -7.177270660e-01 4.32 -6.913157030e-01 -6.913157030e-01 4.34 -6.653543710e-01 -6.653543710e-01 4.36 -6.398578006e-01 -6.398578006e-01 4.38 -6.148543449e-01 -6.148543449e-01 4.40 -5.903846763e-01 -5.903846763e-01 4.42 -5.664996182e-01 -5.664996182e-01 4.44 -5.432571426e-01 -5.432571426e-01 4.46 -5.207186906e-01 -5.207186906e-01 4.48 -4.989450928e-01 -4.989450928e-01 4.50 -4.779924574e-01 -4.779924574e-01 4.52 -4.579084227e-01 -4.579084227e-01 4.54 -4.387291380e-01 -4.387291380e-01 4.56 -4.204772378e-01 -4.204772378e-01 4.58 -4.031609382e-01 -4.031609382e-01 4.60 -3.867742321e-01 -3.867742321e-01 4.62 -3.712980348e-01 -3.712980348e-01 4.64 -3.567020371e-01 -3.567020371e-01 4.66 -3.429469876e-01 -3.429469876e-01 4.68 -3.299871363e-01 -3.299871363e-01 4.70 -3.177726068e-01 -3.177726068e-01 4.72 -3.062513122e-01 -3.062513122e-01 4.74 -2.953712092e-01 -2.953712092e-01 4.76 -2.850816673e-01 -2.850816673e-01 4.78 -2.753342135e-01 -2.753342135e-01 4.80 -2.660801046e-01 -2.660801046e-01 4.82 -2.572840199e-01 -2.572840199e-01 4.84 -2.489034694e-01 -2.489034694e-01 4.86 -2.409033456e-01 -2.409033456e-01 4.88 -2.332519692e-01 -2.332519692e-01 4.90 -2.259208828e-01 -2.259208828e-01 4.92 -2.188845933e-01 -2.188845933e-01 4.94 -2.121202899e-01 -2.121202899e-01 4.96 -2.056075572e-01 -2.056075572e-01 4.98 -1.993280950e-01 -1.993280950e-01 5.00 -1.932654564e-01 -1.932654564e-01 5.02 -1.874048059e-01 -1.874048059e-01 5.04 -1.817327038e-01 -1.817327038e-01 5.06 -1.762369152e-01 -1.762369152e-01 5.08 -1.709062459e-01 -1.709062459e-01 5.10 -1.657304037e-01 -1.657304037e-01 5.12 -1.606998850e-01 -1.606998850e-01 5.14 -1.558058864e-01 -1.558058864e-01 5.16 -1.510402397e-01 -1.510402397e-01 5.18 -1.463953712e-01 -1.463953712e-01 5.20 -1.418642834e-01 -1.418642834e-01 5.22 -1.374405590e-01 -1.374405590e-01 5.24 -1.331183861e-01 -1.331183861e-01 5.26 -1.288926010e-01 -1.288926010e-01 5.28 -1.247587471e-01 -1.247587471e-01 5.30 -1.207131428e-01 -1.207131428e-01 5.32 -1.167529531e-01 -1.167529531e-01 5.34 -1.128762537e-01 -1.128762537e-01 5.36 -1.090820799e-01 -1.090820799e-01 5.38 -1.053704454e-01 -1.053704454e-01 5.40 -1.017423212e-01 -1.017423212e-01 5.42 -9.819956526e-02 -9.819956526e-02 5.44 -9.474479575e-02 -9.474479575e-02 5.46 -9.138120884e-02 -9.138120884e-02 5.48 -8.811234658e-02 -8.811234658e-02 5.50 -8.494182960e-02 -8.494182960e-02 5.52 -8.187307407e-02 -8.187307407e-02 5.54 -7.890901618e-02 -7.890901618e-02 5.56 -7.605186769e-02 -7.605186769e-02 5.58 -7.330292344e-02 -7.330292344e-02 5.60 -7.066233575e-02 -7.066233575e-02 5.62 -6.812920619e-02 -6.812920619e-02 5.64 -6.570170526e-02 -6.570170526e-02 5.66 -6.337696604e-02 -6.337696604e-02 5.68 -6.115121447e-02 -6.115121447e-02 5.70 -5.901993003e-02 -5.901993003e-02 5.72 -5.697801914e-02 -5.697801914e-02 5.74 -5.501998662e-02 -5.501998662e-02 5.76 -5.314009392e-02 -5.314009392e-02 5.78 -5.133249712e-02 -5.133249712e-02 5.80 -4.959136089e-02 -4.959136089e-02 5.82 -4.791094796e-02 -4.791094796e-02 5.84 -4.628568576e-02 -4.628568576e-02 5.86 -4.471021323e-02 -4.471021323e-02 5.88 -4.317941187e-02 -4.317941187e-02 5.90 -4.168842500e-02 -4.168842500e-02 5.92 -4.023266931e-02 -4.023266931e-02 5.94 -3.880784249e-02 -3.880784249e-02 5.96 -3.740993008e-02 -3.740993008e-02 5.98 -3.603521423e-02 -3.603521423e-02 6.00 -3.468028659e-02 -3.468028659e-02