# 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 = MgMo2Pt # 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 3.941978293e+02 3.941978293e+02 1.30 3.663941042e+02 3.663941042e+02 1.32 3.405409071e+02 3.405409071e+02 1.34 3.164896331e+02 3.164896331e+02 1.36 2.941157067e+02 2.941157067e+02 1.38 2.733073392e+02 2.733073392e+02 1.40 2.539563499e+02 2.539563499e+02 1.42 2.359547018e+02 2.359547018e+02 1.44 2.191962868e+02 2.191962868e+02 1.46 2.035812069e+02 2.035812069e+02 1.48 1.890192817e+02 1.890192817e+02 1.50 1.754308614e+02 1.754308614e+02 1.52 1.627451894e+02 1.627451894e+02 1.54 1.508979378e+02 1.508979378e+02 1.56 1.398293280e+02 1.398293280e+02 1.58 1.294831945e+02 1.294831945e+02 1.60 1.198065501e+02 1.198065501e+02 1.62 1.107493502e+02 1.107493502e+02 1.64 1.022645547e+02 1.022645547e+02 1.66 9.430864119e+01 9.430864119e+01 1.68 8.684244832e+01 8.684244832e+01 1.70 7.983196378e+01 7.983196378e+01 1.72 7.324863896e+01 7.324863896e+01 1.74 6.706892169e+01 6.706892169e+01 1.76 6.127486617e+01 6.127486617e+01 1.78 5.585272367e+01 5.585272367e+01 1.80 5.082229684e+01 5.082229684e+01 1.82 4.620573024e+01 4.620573024e+01 1.84 4.197362409e+01 4.197362409e+01 1.86 3.809617156e+01 3.809617156e+01 1.88 3.454364900e+01 3.454364900e+01 1.90 3.128713556e+01 3.128713556e+01 1.92 2.829931811e+01 2.829931811e+01 1.94 2.555515190e+01 2.555515190e+01 1.96 2.303221055e+01 2.303221055e+01 1.98 2.071071109e+01 2.071071109e+01 2.00 1.857328685e+01 1.857328685e+01 2.02 1.660461601e+01 1.660461601e+01 2.04 1.479101231e+01 1.479101231e+01 2.06 1.312005832e+01 1.312005832e+01 2.08 1.158032749e+01 1.158032749e+01 2.10 1.016120536e+01 1.016120536e+01 2.12 8.852806575e+00 8.852806575e+00 2.14 7.645964634e+00 7.645964634e+00 2.16 6.532268391e+00 6.532268391e+00 2.18 5.504107391e+00 5.504107391e+00 2.20 4.554693058e+00 4.554693058e+00 2.22 3.678033434e+00 3.678033434e+00 2.24 2.868864073e+00 2.868864073e+00 2.26 2.122549684e+00 2.122549684e+00 2.28 1.434975821e+00 1.434975821e+00 2.30 8.024442109e-01 8.024442109e-01 2.32 2.215789953e-01 2.215789953e-01 2.34 -3.107506227e-01 -3.107506227e-01 2.36 -7.974948527e-01 -7.974948527e-01 2.38 -1.241470769e+00 -1.241470769e+00 2.40 -1.645394279e+00 -1.645394279e+00 2.42 -2.011897333e+00 -2.011897333e+00 2.44 -2.343531641e+00 -2.343531641e+00 2.46 -2.642765105e+00 -2.642765105e+00 2.48 -2.911975209e+00 -2.911975209e+00 2.50 -3.153442741e+00 -3.153442741e+00 2.52 -3.369342056e+00 -3.369342056e+00 2.54 -3.561500365e+00 -3.561500365e+00 2.56 -3.731967876e+00 -3.731967876e+00 2.58 -3.883760505e+00 -3.883760505e+00 2.60 -4.018587194e+00 -4.018587194e+00 2.62 -4.137602037e+00 -4.137602037e+00 2.64 -4.241757465e+00 -4.241757465e+00 2.66 -4.331842656e+00 -4.331842656e+00 2.68 -4.408535338e+00 -4.408535338e+00 2.70 -4.472323080e+00 -4.472323080e+00 2.72 -4.523349271e+00 -4.523349271e+00 2.74 -4.561777367e+00 -4.561777367e+00 2.76 -4.587851111e+00 -4.587851111e+00 2.78 -4.601881766e+00 -4.601881766e+00 2.80 -4.604237595e+00 -4.604237595e+00 2.82 -4.595336389e+00 -4.595336389e+00 2.84 -4.575645310e+00 -4.575645310e+00 2.86 -4.545686226e+00 -4.545686226e+00 2.88 -4.506046194e+00 -4.506046194e+00 2.90 -4.457390085e+00 -4.457390085e+00 2.92 -4.400471079e+00 -4.400471079e+00 2.94 -4.336133935e+00 -4.336133935e+00 2.96 -4.265306239e+00 -4.265306239e+00 2.98 -4.188974812e+00 -4.188974812e+00 3.00 -4.108147895e+00 -4.108147895e+00 3.02 -4.023807807e+00 -4.023807807e+00 3.04 -3.936861674e+00 -3.936861674e+00 3.06 -3.848100088e+00 -3.848100088e+00 3.08 -3.758167199e+00 -3.758167199e+00 3.10 -3.667549923e+00 -3.667549923e+00 3.12 -3.576581741e+00 -3.576581741e+00 3.14 -3.485460617e+00 -3.485460617e+00 3.16 -3.394272237e+00 -3.394272237e+00 3.18 -3.303019615e+00 -3.303019615e+00 3.20 -3.211651420e+00 -3.211651420e+00 3.22 -3.120088709e+00 -3.120088709e+00 3.24 -3.028248631e+00 -3.028248631e+00 3.26 -2.936064650e+00 -2.936064650e+00 3.28 -2.843503163e+00 -2.843503163e+00 3.30 -2.750606819e+00 -2.750606819e+00 3.32 -2.657712143e+00 -2.657712143e+00 3.34 -2.565305851e+00 -2.565305851e+00 3.36 -2.473895159e+00 -2.473895159e+00 3.38 -2.383994022e+00 -2.383994022e+00 3.40 -2.296142303e+00 -2.296142303e+00 3.42 -2.210770411e+00 -2.210770411e+00 3.44 -2.128213005e+00 -2.128213005e+00 3.46 -2.048756391e+00 -2.048756391e+00 3.48 -1.972614364e+00 -1.972614364e+00 3.50 -1.899788342e+00 -1.899788342e+00 3.52 -1.830156221e+00 -1.830156221e+00 3.54 -1.763606087e+00 -1.763606087e+00 3.56 -1.700034156e+00 -1.700034156e+00 3.58 -1.639339837e+00 -1.639339837e+00 3.60 -1.581421617e+00 -1.581421617e+00 3.62 -1.526174073e+00 -1.526174073e+00 3.64 -1.473486142e+00 -1.473486142e+00 3.66 -1.423240627e+00 -1.423240627e+00 3.68 -1.375314734e+00 -1.375314734e+00 3.70 -1.329581372e+00 -1.329581372e+00 3.72 -1.285910917e+00 -1.285910917e+00 3.74 -1.244173162e+00 -1.244173162e+00 3.76 -1.204239204e+00 -1.204239204e+00 3.78 -1.165983121e+00 -1.165983121e+00 3.80 -1.129283309e+00 -1.129283309e+00 3.82 -1.094023440e+00 -1.094023440e+00 3.84 -1.060093026e+00 -1.060093026e+00 3.86 -1.027387625e+00 -1.027387625e+00 3.88 -9.958087617e-01 -9.958087617e-01 3.90 -9.652636570e-01 -9.652636570e-01 3.92 -9.356648719e-01 -9.356648719e-01 3.94 -9.069301813e-01 -9.069301813e-01 3.96 -8.789822918e-01 -8.789822918e-01 3.98 -8.517492013e-01 -8.517492013e-01 4.00 -8.251646880e-01 -8.251646880e-01 4.02 -7.991691650e-01 -7.991691650e-01 4.04 -7.737108104e-01 -7.737108104e-01 4.06 -7.487468812e-01 -7.487468812e-01 4.08 -7.242450754e-01 -7.242450754e-01 4.10 -7.001844025e-01 -7.001844025e-01 4.12 -6.765575602e-01 -6.765575602e-01 4.14 -6.533688605e-01 -6.533688605e-01 4.16 -6.306354044e-01 -6.306354044e-01 4.18 -6.083851885e-01 -6.083851885e-01 4.20 -5.866546783e-01 -5.866546783e-01 4.22 -5.654855176e-01 -5.654855176e-01 4.24 -5.449206463e-01 -5.449206463e-01 4.26 -5.250002282e-01 -5.250002282e-01 4.28 -5.057578438e-01 -5.057578438e-01 4.30 -4.872173723e-01 -4.872173723e-01 4.32 -4.693908720e-01 -4.693908720e-01 4.34 -4.522776001e-01 -4.522776001e-01 4.36 -4.358641365e-01 -4.358641365e-01 4.38 -4.201254306e-01 -4.201254306e-01 4.40 -4.050265033e-01 -4.050265033e-01 4.42 -3.905245103e-01 -3.905245103e-01 4.44 -3.765709091e-01 -3.765709091e-01 4.46 -3.631135211e-01 -3.631135211e-01 4.48 -3.500983448e-01 -3.500983448e-01 4.50 -3.374711384e-01 -3.374711384e-01 4.52 -3.251786283e-01 -3.251786283e-01 4.54 -3.131685521e-01 -3.131685521e-01 4.56 -3.013932949e-01 -3.013932949e-01 4.58 -2.898090165e-01 -2.898090165e-01 4.60 -2.783757590e-01 -2.783757590e-01 4.62 -2.670583657e-01 -2.670583657e-01 4.64 -2.558273285e-01 -2.558273285e-01 4.66 -2.446596097e-01 -2.446596097e-01 4.68 -2.335394434e-01 -2.335394434e-01 4.70 -2.224590850e-01 -2.224590850e-01 4.72 -2.114194443e-01 -2.114194443e-01 4.74 -2.004305142e-01 -2.004305142e-01 4.76 -1.895114926e-01 -1.895114926e-01 4.78 -1.786904995e-01 -1.786904995e-01 4.80 -1.680036022e-01 -1.680036022e-01 4.82 -1.574943857e-01 -1.574943857e-01 4.84 -1.472108174e-01 -1.472108174e-01 4.86 -1.372040097e-01 -1.372040097e-01 4.88 -1.275253304e-01 -1.275253304e-01 4.90 -1.182238926e-01 -1.182238926e-01 4.92 -1.093441137e-01 -1.093441137e-01 4.94 -1.009236053e-01 -1.009236053e-01 4.96 -9.299157617e-02 -9.299157617e-02 4.98 -8.556785322e-02 -8.556785322e-02 5.00 -7.866255145e-02 -7.866255145e-02 5.02 -7.227635179e-02 -7.227635179e-02 5.04 -6.640128770e-02 -6.640128770e-02 5.06 -6.102190549e-02 -6.102190549e-02 5.08 -5.611665074e-02 -5.611665074e-02 5.10 -5.165934042e-02 -5.165934042e-02 5.12 -4.762060206e-02 -4.762060206e-02 5.14 -4.396920105e-02 -4.396920105e-02 5.16 -4.067318195e-02 -4.067318195e-02 5.18 -3.770080963e-02 -3.770080963e-02 5.20 -3.502130392e-02 -3.502130392e-02 5.22 -3.260537902e-02 -3.260537902e-02 5.24 -3.042560287e-02 -3.042560287e-02 5.26 -2.845661842e-02 -2.845661842e-02 5.28 -2.667524479e-02 -2.667524479e-02 5.30 -2.506048567e-02 -2.506048567e-02 5.32 -2.359347127e-02 -2.359347127e-02 5.34 -2.225735421e-02 -2.225735421e-02 5.36 -2.103717576e-02 -2.103717576e-02 5.38 -1.991971517e-02 -1.991971517e-02 5.40 -1.889333176e-02 -1.889333176e-02 5.42 -1.794780678e-02 -1.794780678e-02 5.44 -1.707415774e-02 -1.707415774e-02 5.46 -1.626450011e-02 -1.626450011e-02 5.48 -1.551202022e-02 -1.551202022e-02 5.50 -1.481076027e-02 -1.481076027e-02 5.52 -1.415550368e-02 -1.415550368e-02 5.54 -1.354167552e-02 -1.354167552e-02 5.56 -1.296525407e-02 -1.296525407e-02 5.58 -1.242269336e-02 -1.242269336e-02 5.60 -1.191085606e-02 -1.191085606e-02 5.62 -1.142695597e-02 -1.142695597e-02 5.64 -1.096850903e-02 -1.096850903e-02 5.66 -1.053329191e-02 -1.053329191e-02 5.68 -1.011930712e-02 -1.011930712e-02 5.70 -9.724753425e-03 -9.724753425e-03 5.72 -9.348000835e-03 -9.348000835e-03 5.74 -8.987569289e-03 -8.987569289e-03 5.76 -8.642110348e-03 -8.642110348e-03 5.78 -8.310391414e-03 -8.310391414e-03 5.80 -7.991282095e-03 -7.991282095e-03 5.82 -7.683742409e-03 -7.683742409e-03 5.84 -7.386812652e-03 -7.386812652e-03 5.86 -7.099604797e-03 -7.099604797e-03 5.88 -6.821295339e-03 -6.821295339e-03 5.90 -6.551119556e-03 -6.551119556e-03 5.92 -6.288367148e-03 -6.288367148e-03 5.94 -6.032379255e-03 -6.032379255e-03 5.96 -5.782546859e-03 -5.782546859e-03 5.98 -5.538310535e-03 -5.538310535e-03 6.00 -5.299161551e-03 -5.299161551e-03