# 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 = AuCo2Zr # 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 2.516038317e+02 2.516038317e+02 1.30 2.327421736e+02 2.327421736e+02 1.32 2.152993593e+02 2.152993593e+02 1.34 1.991602433e+02 1.991602433e+02 1.36 1.842210244e+02 1.842210244e+02 1.38 1.703872183e+02 1.703872183e+02 1.40 1.575719693e+02 1.575719693e+02 1.42 1.456951368e+02 1.456951368e+02 1.44 1.346827282e+02 1.346827282e+02 1.46 1.244668527e+02 1.244668527e+02 1.48 1.149859251e+02 1.149859251e+02 1.50 1.061843999e+02 1.061843999e+02 1.52 9.801180566e+01 9.801180566e+01 1.54 9.042172034e+01 9.042172034e+01 1.56 8.337096832e+01 8.337096832e+01 1.58 7.681931815e+01 7.681931815e+01 1.60 7.072947414e+01 7.072947414e+01 1.62 6.506714933e+01 6.506714933e+01 1.64 5.980097810e+01 5.980097810e+01 1.66 5.490224849e+01 5.490224849e+01 1.68 5.034451304e+01 5.034451304e+01 1.70 4.610316933e+01 4.610316933e+01 1.72 4.215524001e+01 4.215524001e+01 1.74 3.847933972e+01 3.847933972e+01 1.76 3.505573282e+01 3.505573282e+01 1.78 3.186649953e+01 3.186649953e+01 1.80 2.889580054e+01 2.889580054e+01 1.82 2.613453024e+01 2.613453024e+01 1.84 2.357579234e+01 2.357579234e+01 1.86 2.120676859e+01 2.120676859e+01 1.88 1.901439933e+01 1.901439933e+01 1.90 1.698616647e+01 1.698616647e+01 1.92 1.511034920e+01 1.511034920e+01 1.94 1.337606975e+01 1.337606975e+01 1.96 1.177325170e+01 1.177325170e+01 1.98 1.029256722e+01 1.029256722e+01 2.00 8.925366014e+00 8.925366014e+00 2.02 7.663598013e+00 7.663598013e+00 2.04 6.499754411e+00 6.499754411e+00 2.06 5.426824124e+00 5.426824124e+00 2.08 4.438263545e+00 4.438263545e+00 2.10 3.527949940e+00 3.527949940e+00 2.12 2.690171787e+00 2.690171787e+00 2.14 1.919615826e+00 1.919615826e+00 2.16 1.211374507e+00 1.211374507e+00 2.18 5.609385335e-01 5.609385335e-01 2.20 -3.582206632e-02 -3.582206632e-02 2.22 -5.827062793e-01 -5.827062793e-01 2.24 -1.083225987e+00 -1.083225987e+00 2.26 -1.540638970e+00 -1.540638970e+00 2.28 -1.957959970e+00 -1.957959970e+00 2.30 -2.337973456e+00 -2.337973456e+00 2.32 -2.683249415e+00 -2.683249415e+00 2.34 -2.996145370e+00 -2.996145370e+00 2.36 -3.278842770e+00 -3.278842770e+00 2.38 -3.533367480e+00 -3.533367480e+00 2.40 -3.761612245e+00 -3.761612245e+00 2.42 -3.965362362e+00 -3.965362362e+00 2.44 -4.146313645e+00 -4.146313645e+00 2.46 -4.306097152e+00 -4.306097152e+00 2.48 -4.446294447e+00 -4.446294447e+00 2.50 -4.568510296e+00 -4.568510296e+00 2.52 -4.674192857e+00 -4.674192857e+00 2.54 -4.764674679e+00 -4.764674679e+00 2.56 -4.841232658e+00 -4.841232658e+00 2.58 -4.905074189e+00 -4.905074189e+00 2.60 -4.957328698e+00 -4.957328698e+00 2.62 -4.999039362e+00 -4.999039362e+00 2.64 -5.031110076e+00 -5.031110076e+00 2.66 -5.054182882e+00 -5.054182882e+00 2.68 -5.068828527e+00 -5.068828527e+00 2.70 -5.075584125e+00 -5.075584125e+00 2.72 -5.074954984e+00 -5.074954984e+00 2.74 -5.067438201e+00 -5.067438201e+00 2.76 -5.053558211e+00 -5.053558211e+00 2.78 -5.033696322e+00 -5.033696322e+00 2.80 -5.008222521e+00 -5.008222521e+00 2.82 -4.977510127e+00 -4.977510127e+00 2.84 -4.941980447e+00 -4.941980447e+00 2.86 -4.901923985e+00 -4.901923985e+00 2.88 -4.857613478e+00 -4.857613478e+00 2.90 -4.809326699e+00 -4.809326699e+00 2.92 -4.757341040e+00 -4.757341040e+00 2.94 -4.701873738e+00 -4.701873738e+00 2.96 -4.643113883e+00 -4.643113883e+00 2.98 -4.581279602e+00 -4.581279602e+00 3.00 -4.516614055e+00 -4.516614055e+00 3.02 -4.449379614e+00 -4.449379614e+00 3.04 -4.379856149e+00 -4.379856149e+00 3.06 -4.308339750e+00 -4.308339750e+00 3.08 -4.235120155e+00 -4.235120155e+00 3.10 -4.160477867e+00 -4.160477867e+00 3.12 -4.084671246e+00 -4.084671246e+00 3.14 -4.007940482e+00 -4.007940482e+00 3.16 -3.930492943e+00 -3.930492943e+00 3.18 -3.852515767e+00 -3.852515767e+00 3.20 -3.774177764e+00 -3.774177764e+00 3.22 -3.695634845e+00 -3.695634845e+00 3.24 -3.617035429e+00 -3.617035429e+00 3.26 -3.538525093e+00 -3.538525093e+00 3.28 -3.460249688e+00 -3.460249688e+00 3.30 -3.382356113e+00 -3.382356113e+00 3.32 -3.304990330e+00 -3.304990330e+00 3.34 -3.228292903e+00 -3.228292903e+00 3.36 -3.152393239e+00 -3.152393239e+00 3.38 -3.077404161e+00 -3.077404161e+00 3.40 -3.003417204e+00 -3.003417204e+00 3.42 -2.930506207e+00 -2.930506207e+00 3.44 -2.858721303e+00 -2.858721303e+00 3.46 -2.788097130e+00 -2.788097130e+00 3.48 -2.718654966e+00 -2.718654966e+00 3.50 -2.650406015e+00 -2.650406015e+00 3.52 -2.583353962e+00 -2.583353962e+00 3.54 -2.517496651e+00 -2.517496651e+00 3.56 -2.452827031e+00 -2.452827031e+00 3.58 -2.389333596e+00 -2.389333596e+00 3.60 -2.327000609e+00 -2.327000609e+00 3.62 -2.265808337e+00 -2.265808337e+00 3.64 -2.205733504e+00 -2.205733504e+00 3.66 -2.146750077e+00 -2.146750077e+00 3.68 -2.088830441e+00 -2.088830441e+00 3.70 -2.031946970e+00 -2.031946970e+00 3.72 -1.976073913e+00 -1.976073913e+00 3.74 -1.921189475e+00 -1.921189475e+00 3.76 -1.867277906e+00 -1.867277906e+00 3.78 -1.814331351e+00 -1.814331351e+00 3.80 -1.762351193e+00 -1.762351193e+00 3.82 -1.711348579e+00 -1.711348579e+00 3.84 -1.661343895e+00 -1.661343895e+00 3.86 -1.612365022e+00 -1.612365022e+00 3.88 -1.564444447e+00 -1.564444447e+00 3.90 -1.517615504e+00 -1.517615504e+00 3.92 -1.471906854e+00 -1.471906854e+00 3.94 -1.427344545e+00 -1.427344545e+00 3.96 -1.383939792e+00 -1.383939792e+00 3.98 -1.341693914e+00 -1.341693914e+00 4.00 -1.300596398e+00 -1.300596398e+00 4.02 -1.260625982e+00 -1.260625982e+00 4.04 -1.221752651e+00 -1.221752651e+00 4.06 -1.183940147e+00 -1.183940147e+00 4.08 -1.147148595e+00 -1.147148595e+00 4.10 -1.111333278e+00 -1.111333278e+00 4.12 -1.076462519e+00 -1.076462519e+00 4.14 -1.042494840e+00 -1.042494840e+00 4.16 -1.009397912e+00 -1.009397912e+00 4.18 -9.771450972e-01 -9.771450972e-01 4.20 -9.457162591e-01 -9.457162591e-01 4.22 -9.150981575e-01 -9.150981575e-01 4.24 -8.852843618e-01 -8.852843618e-01 4.26 -8.562746284e-01 -8.562746284e-01 4.28 -8.280737192e-01 -8.280737192e-01 4.30 -8.006897101e-01 -8.006897101e-01 4.32 -7.741319242e-01 -7.741319242e-01 4.34 -7.484087024e-01 -7.484087024e-01 4.36 -7.235252712e-01 -7.235252712e-01 4.38 -6.994819629e-01 -6.994819629e-01 4.40 -6.762729831e-01 -6.762729831e-01 4.42 -6.538858230e-01 -6.538858230e-01 4.44 -6.323013094e-01 -6.323013094e-01 4.46 -6.114941896e-01 -6.114941896e-01 4.48 -5.914340944e-01 -5.914340944e-01 4.50 -5.720867060e-01 -5.720867060e-01 4.52 -5.534149721e-01 -5.534149721e-01 4.54 -5.353802458e-01 -5.353802458e-01 4.56 -5.179432778e-01 -5.179432778e-01 4.58 -5.010650246e-01 -5.010650246e-01 4.60 -4.847072764e-01 -4.847072764e-01 4.62 -4.688331259e-01 -4.688331259e-01 4.64 -4.534073152e-01 -4.534073152e-01 4.66 -4.383965034e-01 -4.383965034e-01 4.68 -4.237694947e-01 -4.237694947e-01 4.70 -4.094974631e-01 -4.094974631e-01 4.72 -3.955542034e-01 -3.955542034e-01 4.74 -3.819164250e-01 -3.819164250e-01 4.76 -3.685640979e-01 -3.685640979e-01 4.78 -3.554808414e-01 -3.554808414e-01 4.80 -3.426511860e-01 -3.426511860e-01 4.82 -3.300740991e-01 -3.300740991e-01 4.84 -3.177427154e-01 -3.177427154e-01 4.86 -3.056589285e-01 -3.056589285e-01 4.88 -2.938295758e-01 -2.938295758e-01 4.90 -2.822661501e-01 -2.822661501e-01 4.92 -2.709841962e-01 -2.709841962e-01 4.94 -2.600023819e-01 -2.600023819e-01 4.96 -2.493412753e-01 -2.493412753e-01 4.98 -2.390219078e-01 -2.390219078e-01 5.00 -2.290642430e-01 -2.290642430e-01 5.02 -2.194856971e-01 -2.194856971e-01 5.04 -2.102998548e-01 -2.102998548e-01 5.06 -2.015155012e-01 -2.015155012e-01 5.08 -1.931359335e-01 -1.931359335e-01 5.10 -1.851589315e-01 -1.851589315e-01 5.12 -1.775772470e-01 -1.775772470e-01 5.14 -1.703788357e-01 -1.703788357e-01 5.16 -1.635476547e-01 -1.635476547e-01 5.18 -1.570645933e-01 -1.570645933e-01 5.20 -1.509084407e-01 -1.509084407e-01 5.22 -1.450568175e-01 -1.450568175e-01 5.24 -1.394870190e-01 -1.394870190e-01 5.26 -1.341767429e-01 -1.341767429e-01 5.28 -1.291046884e-01 -1.291046884e-01 5.30 -1.242510260e-01 -1.242510260e-01 5.32 -1.195977461e-01 -1.195977461e-01 5.34 -1.151288971e-01 -1.151288971e-01 5.36 -1.108307198e-01 -1.108307198e-01 5.38 -1.066916893e-01 -1.066916893e-01 5.40 -1.027024684e-01 -1.027024684e-01 5.42 -9.885577838e-02 -9.885577838e-02 5.44 -9.514619395e-02 -9.514619395e-02 5.46 -9.156987052e-02 -9.156987052e-02 5.48 -8.812421791e-02 -8.812421791e-02 5.50 -8.480753858e-02 -8.480753858e-02 5.52 -8.161865442e-02 -8.161865442e-02 5.54 -7.855654647e-02 -7.855654647e-02 5.56 -7.562003252e-02 -7.562003252e-02 5.58 -7.280750378e-02 -7.280750378e-02 5.60 -7.011665249e-02 -7.011665249e-02 5.62 -6.754443342e-02 -6.754443342e-02 5.64 -6.508723700e-02 -6.508723700e-02 5.66 -6.274069097e-02 -6.274069097e-02 5.68 -6.049974731e-02 -6.049974731e-02 5.70 -5.835880982e-02 -5.835880982e-02 5.72 -5.631187852e-02 -5.631187852e-02 5.74 -5.435269607e-02 -5.435269607e-02 5.76 -5.247488430e-02 -5.247488430e-02 5.78 -5.067206357e-02 -5.067206357e-02 5.80 -4.893795077e-02 -4.893795077e-02 5.82 -4.726643517e-02 -4.726643517e-02 5.84 -4.565163349e-02 -4.565163349e-02 5.86 -4.408792692e-02 -4.408792692e-02 5.88 -4.256998378e-02 -4.256998378e-02 5.90 -4.109277171e-02 -4.109277171e-02 5.92 -3.965156324e-02 -3.965156324e-02 5.94 -3.824193820e-02 -3.824193820e-02 5.96 -3.685978616e-02 -3.685978616e-02 5.98 -3.550131128e-02 -3.550131128e-02 6.00 -3.416304181e-02 -3.416304181e-02