# 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 = AuCoMo2 # 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 2.812771873e+02 2.812771873e+02 1.30 2.601293425e+02 2.601293425e+02 1.32 2.405725150e+02 2.405725150e+02 1.34 2.224717088e+02 2.224717088e+02 1.36 2.057066649e+02 2.057066649e+02 1.38 1.901707802e+02 1.901707802e+02 1.40 1.757690726e+02 1.757690726e+02 1.42 1.624154662e+02 1.624154662e+02 1.44 1.500304391e+02 1.500304391e+02 1.46 1.385397254e+02 1.385397254e+02 1.48 1.278741500e+02 1.278741500e+02 1.50 1.179701890e+02 1.179701890e+02 1.52 1.087704484e+02 1.087704484e+02 1.54 1.002234546e+02 1.002234546e+02 1.56 9.228280535e+01 9.228280535e+01 1.58 8.490606411e+01 8.490606411e+01 1.60 7.805371921e+01 7.805371921e+01 1.62 7.168838108e+01 7.168838108e+01 1.64 6.577429437e+01 6.577429437e+01 1.66 6.027720549e+01 6.027720549e+01 1.68 5.516458565e+01 5.516458565e+01 1.70 5.040609986e+01 5.040609986e+01 1.72 4.597410806e+01 4.597410806e+01 1.74 4.184400338e+01 4.184400338e+01 1.76 3.799429553e+01 3.799429553e+01 1.78 3.440989419e+01 3.440989419e+01 1.80 3.109005457e+01 3.109005457e+01 1.82 2.802319071e+01 2.802319071e+01 1.84 2.519362245e+01 2.519362245e+01 1.86 2.258607941e+01 2.258607941e+01 1.88 2.018576195e+01 2.018576195e+01 1.90 1.797834782e+01 1.797834782e+01 1.92 1.595004330e+01 1.595004330e+01 1.94 1.408762139e+01 1.408762139e+01 1.96 1.237844438e+01 1.237844438e+01 1.98 1.081049909e+01 1.081049909e+01 2.00 9.372456430e+00 9.372456430e+00 2.02 8.053726171e+00 8.053726171e+00 2.04 6.844464171e+00 6.844464171e+00 2.06 5.735520716e+00 5.735520716e+00 2.08 4.718361650e+00 4.718361650e+00 2.10 3.785009701e+00 3.785009701e+00 2.12 2.928035131e+00 2.928035131e+00 2.14 2.140593149e+00 2.140593149e+00 2.16 1.416481410e+00 1.416481410e+00 2.18 7.501837757e-01 7.501837757e-01 2.20 1.368750683e-01 1.368750683e-01 2.22 -4.276213428e-01 -4.276213428e-01 2.24 -9.469143636e-01 -9.469143636e-01 2.26 -1.424145920e+00 -1.424145920e+00 2.28 -1.862092461e+00 -1.862092461e+00 2.30 -2.263253475e+00 -2.263253475e+00 2.32 -2.629920391e+00 -2.629920391e+00 2.34 -2.964225020e+00 -2.964225020e+00 2.36 -3.268170325e+00 -3.268170325e+00 2.38 -3.543647844e+00 -3.543647844e+00 2.40 -3.792446281e+00 -3.792446281e+00 2.42 -4.016255147e+00 -4.016255147e+00 2.44 -4.216666385e+00 -4.216666385e+00 2.46 -4.395175986e+00 -4.395175986e+00 2.48 -4.553186835e+00 -4.553186835e+00 2.50 -4.691999839e+00 -4.691999839e+00 2.52 -4.812578858e+00 -4.812578858e+00 2.54 -4.916226834e+00 -4.916226834e+00 2.56 -5.004329860e+00 -5.004329860e+00 2.58 -5.078168244e+00 -5.078168244e+00 2.60 -5.138920453e+00 -5.138920453e+00 2.62 -5.187658508e+00 -5.187658508e+00 2.64 -5.225339878e+00 -5.225339878e+00 2.66 -5.252758154e+00 -5.252758154e+00 2.68 -5.270201533e+00 -5.270201533e+00 2.70 -5.277758590e+00 -5.277758590e+00 2.72 -5.275495540e+00 -5.275495540e+00 2.74 -5.263527949e+00 -5.263527949e+00 2.76 -5.242028354e+00 -5.242028354e+00 2.78 -5.211224637e+00 -5.211224637e+00 2.80 -5.171398002e+00 -5.171398002e+00 2.82 -5.122904353e+00 -5.122904353e+00 2.84 -5.066182921e+00 -5.066182921e+00 2.86 -5.001599378e+00 -5.001599378e+00 2.88 -4.929539126e+00 -4.929539126e+00 2.90 -4.850469456e+00 -4.850469456e+00 2.92 -4.764950891e+00 -4.764950891e+00 2.94 -4.673632871e+00 -4.673632871e+00 2.96 -4.577243065e+00 -4.577243065e+00 2.98 -4.476568729e+00 -4.476568729e+00 3.00 -4.372425500e+00 -4.372425500e+00 3.02 -4.265624710e+00 -4.265624710e+00 3.04 -4.156943037e+00 -4.156943037e+00 3.06 -4.047086997e+00 -4.047086997e+00 3.08 -3.936661987e+00 -3.936661987e+00 3.10 -3.826150238e+00 -3.826150238e+00 3.12 -3.715900243e+00 -3.715900243e+00 3.14 -3.606128358e+00 -3.606128358e+00 3.16 -3.496931289e+00 -3.496931289e+00 3.18 -3.388306787e+00 -3.388306787e+00 3.20 -3.280179309e+00 -3.280179309e+00 3.22 -3.172427641e+00 -3.172427641e+00 3.24 -3.064912183e+00 -3.064912183e+00 3.26 -2.957500393e+00 -2.957500393e+00 3.28 -2.850089520e+00 -2.850089520e+00 3.30 -2.742626115e+00 -2.742626115e+00 3.32 -2.635121875e+00 -2.635121875e+00 3.34 -2.527665313e+00 -2.527665313e+00 3.36 -2.420428588e+00 -2.420428588e+00 3.38 -2.313668790e+00 -2.313668790e+00 3.40 -2.207723099e+00 -2.207723099e+00 3.42 -2.102997603e+00 -2.102997603e+00 3.44 -1.999950158e+00 -1.999950158e+00 3.46 -1.899068380e+00 -1.899068380e+00 3.48 -1.800844566e+00 -1.800844566e+00 3.50 -1.705749831e+00 -1.705749831e+00 3.52 -1.614209945e+00 -1.614209945e+00 3.54 -1.526585106e+00 -1.526585106e+00 3.56 -1.443155348e+00 -1.443155348e+00 3.58 -1.364112462e+00 -1.364112462e+00 3.60 -1.289558458e+00 -1.289558458e+00 3.62 -1.219509830e+00 -1.219509830e+00 3.64 -1.153906384e+00 -1.153906384e+00 3.66 -1.092623106e+00 -1.092623106e+00 3.68 -1.035483547e+00 -1.035483547e+00 3.70 -9.822734204e-01 -9.822734204e-01 3.72 -9.327533738e-01 -9.327533738e-01 3.74 -8.866702630e-01 -8.866702630e-01 3.76 -8.437665621e-01 -8.437665621e-01 3.78 -8.037878049e-01 -8.037878049e-01 3.80 -7.664881402e-01 -7.664881402e-01 3.82 -7.316342022e-01 -7.316342022e-01 3.84 -6.990075586e-01 -6.990075586e-01 3.86 -6.684060121e-01 -6.684060121e-01 3.88 -6.396440201e-01 -6.396440201e-01 3.90 -6.125524703e-01 -6.125524703e-01 3.92 -5.869780078e-01 -5.869780078e-01 3.94 -5.627820819e-01 -5.627820819e-01 3.96 -5.398398327e-01 -5.398398327e-01 3.98 -5.180389244e-01 -5.180389244e-01 4.00 -4.972783946e-01 -4.972783946e-01 4.02 -4.774675753e-01 -4.774675753e-01 4.04 -4.585251259e-01 -4.585251259e-01 4.06 -4.403782044e-01 -4.403782044e-01 4.08 -4.229617947e-01 -4.229617947e-01 4.10 -4.062181924e-01 -4.062181924e-01 4.12 -3.900966543e-01 -3.900966543e-01 4.14 -3.745531701e-01 -3.745531701e-01 4.16 -3.595503494e-01 -3.595503494e-01 4.18 -3.450573485e-01 -3.450573485e-01 4.20 -3.310497724e-01 -3.310497724e-01 4.22 -3.175094687e-01 -3.175094687e-01 4.24 -3.044241240e-01 -3.044241240e-01 4.26 -2.917865932e-01 -2.917865932e-01 4.28 -2.795939245e-01 -2.795939245e-01 4.30 -2.678460956e-01 -2.678460956e-01 4.32 -2.565445414e-01 -2.565445414e-01 4.34 -2.456906019e-01 -2.456906019e-01 4.36 -2.352840553e-01 -2.352840553e-01 4.38 -2.253217083e-01 -2.253217083e-01 4.40 -2.157969183e-01 -2.157969183e-01 4.42 -2.066991461e-01 -2.066991461e-01 4.44 -1.980137111e-01 -1.980137111e-01 4.46 -1.897221657e-01 -1.897221657e-01 4.48 -1.818028498e-01 -1.818028498e-01 4.50 -1.742316816e-01 -1.742316816e-01 4.52 -1.669832214e-01 -1.669832214e-01 4.54 -1.600311233e-01 -1.600311233e-01 4.56 -1.533487898e-01 -1.533487898e-01 4.58 -1.469099212e-01 -1.469099212e-01 4.60 -1.406889425e-01 -1.406889425e-01 4.62 -1.346613276e-01 -1.346613276e-01 4.64 -1.288038450e-01 -1.288038450e-01 4.66 -1.230947565e-01 -1.230947565e-01 4.68 -1.175139956e-01 -1.175139956e-01 4.70 -1.120433516e-01 -1.120433516e-01 4.72 -1.066666790e-01 -1.066666790e-01 4.74 -1.013701421e-01 -1.013701421e-01 4.76 -9.614250111e-02 -9.614250111e-02 4.78 -9.097542952e-02 -9.097542952e-02 4.80 -8.586384631e-02 -8.586384631e-02 4.82 -8.080623478e-02 -8.080623478e-02 4.84 -7.580489883e-02 -7.580489883e-02 4.86 -7.086611809e-02 -7.086611809e-02 4.88 -6.600014026e-02 -6.600014026e-02 4.90 -6.122096542e-02 -6.122096542e-02 4.92 -5.654588740e-02 -5.654588740e-02 4.94 -5.199478159e-02 -5.199478159e-02 4.96 -4.758915862e-02 -4.758915862e-02 4.98 -4.335104970e-02 -4.335104970e-02 5.00 -3.930179603e-02 -3.930179603e-02 5.02 -3.546085386e-02 -3.546085386e-02 5.04 -3.184473219e-02 -3.184473219e-02 5.06 -2.846614480e-02 -2.846614480e-02 5.08 -2.533346209e-02 -2.533346209e-02 5.10 -2.245049044e-02 -2.245049044e-02 5.12 -1.981654959e-02 -1.981654959e-02 5.14 -1.742681481e-02 -1.742681481e-02 5.16 -1.527251786e-02 -1.527251786e-02 5.18 -1.334226800e-02 -1.334226800e-02 5.20 -1.162278870e-02 -1.162278870e-02 5.22 -1.009916754e-02 -1.009916754e-02 5.24 -8.755557671e-03 -8.755557671e-03 5.26 -7.575782602e-03 -7.575782602e-03 5.28 -6.543829851e-03 -6.543829851e-03 5.30 -5.644231733e-03 -5.644231733e-03 5.32 -4.862340474e-03 -4.862340474e-03 5.34 -4.184510340e-03 -4.184510340e-03 5.36 -3.598202035e-03 -3.598202035e-03 5.38 -3.092025131e-03 -3.092025131e-03 5.40 -2.655733336e-03 -2.655733336e-03 5.42 -2.280185696e-03 -2.280185696e-03 5.44 -1.957284715e-03 -1.957284715e-03 5.46 -1.679900245e-03 -1.679900245e-03 5.48 -1.441785992e-03 -1.441785992e-03 5.50 -1.237493736e-03 -1.237493736e-03 5.52 -1.062288907e-03 -1.062288907e-03 5.54 -9.120699661e-04 -9.120699661e-04 5.56 -7.832931279e-04 -7.832931279e-04 5.58 -6.729032845e-04 -6.729032845e-04 5.60 -5.782714687e-04 -5.782714687e-04 5.62 -4.971388560e-04 -4.971388560e-04 5.64 -4.275670627e-04 -4.275670627e-04 5.66 -3.678943515e-04 -3.678943515e-04 5.68 -3.166972725e-04 -3.166972725e-04 5.70 -2.727572322e-04 -2.727572322e-04 5.72 -2.350314760e-04 -2.350314760e-04 5.74 -2.026279890e-04 -2.026279890e-04 5.76 -1.747838461e-04 -1.747838461e-04 5.78 -1.508465831e-04 -1.508465831e-04 5.80 -1.302581963e-04 -1.302581963e-04 5.82 -1.125414242e-04 -1.125414242e-04 5.84 -9.728799856e-05 -9.728799856e-05 5.86 -8.414859383e-05 -8.414859383e-05 5.88 -7.282423643e-05 -7.282423643e-05 5.90 -6.305896596e-05 -6.305896596e-05 5.92 -5.463356919e-05 -5.463356919e-05 5.94 -4.736023154e-05 -4.736023154e-05 5.96 -4.107797276e-05 -4.107797276e-05 5.98 -3.564875208e-05 -3.564875208e-05 6.00 -3.095414477e-05 -3.095414477e-05