# 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 = MgTaZr2 # 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 4.619265846e+02 4.619265846e+02 1.30 4.295699619e+02 4.295699619e+02 1.32 3.995532576e+02 3.995532576e+02 1.34 3.716942554e+02 3.716942554e+02 1.36 3.458273029e+02 3.458273029e+02 1.38 3.218015568e+02 3.218015568e+02 1.40 2.994790860e+02 2.994790860e+02 1.42 2.787324944e+02 2.787324944e+02 1.44 2.594427950e+02 2.594427950e+02 1.46 2.414984571e+02 2.414984571e+02 1.48 2.247954964e+02 2.247954964e+02 1.50 2.092376977e+02 2.092376977e+02 1.52 1.947366188e+02 1.947366188e+02 1.54 1.812114800e+02 1.812114800e+02 1.56 1.685891449e+02 1.685891449e+02 1.58 1.568040469e+02 1.568040469e+02 1.60 1.457976237e+02 1.457976237e+02 1.62 1.355171741e+02 1.355171741e+02 1.64 1.259145845e+02 1.259145845e+02 1.66 1.169453476e+02 1.169453476e+02 1.68 1.085680215e+02 1.085680215e+02 1.70 1.007440815e+02 1.007440815e+02 1.72 9.343777637e+01 9.343777637e+01 1.74 8.661590719e+01 8.661590719e+01 1.76 8.024748692e+01 8.024748692e+01 1.78 7.430341462e+01 7.430341462e+01 1.80 6.875615883e+01 6.875615883e+01 1.82 6.357954169e+01 6.357954169e+01 1.84 5.874852680e+01 5.874852680e+01 1.86 5.423926848e+01 5.423926848e+01 1.88 5.002926895e+01 5.002926895e+01 1.90 4.609758064e+01 4.609758064e+01 1.92 4.242487156e+01 4.242487156e+01 1.94 3.899335956e+01 3.899335956e+01 1.96 3.578662994e+01 3.578662994e+01 1.98 3.278995880e+01 3.278995880e+01 2.00 2.999266809e+01 2.999266809e+01 2.02 2.738295733e+01 2.738295733e+01 2.04 2.494850022e+01 2.494850022e+01 2.06 2.267777944e+01 2.267777944e+01 2.08 2.056017667e+01 2.056017667e+01 2.10 1.858575883e+01 1.858575883e+01 2.12 1.674521784e+01 1.674521784e+01 2.14 1.502985040e+01 1.502985040e+01 2.16 1.343157353e+01 1.343157353e+01 2.18 1.194290766e+01 1.194290766e+01 2.20 1.055693574e+01 1.055693574e+01 2.22 9.267209371e+00 9.267209371e+00 2.24 8.067671715e+00 8.067671715e+00 2.26 6.952612491e+00 6.952612491e+00 2.28 5.916639643e+00 5.916639643e+00 2.30 4.954704603e+00 4.954704603e+00 2.32 4.062054418e+00 4.062054418e+00 2.34 3.234250676e+00 3.234250676e+00 2.36 2.467111956e+00 2.467111956e+00 2.38 1.756693632e+00 1.756693632e+00 2.40 1.099267071e+00 1.099267071e+00 2.42 4.912969118e-01 4.912969118e-01 2.44 -7.056393203e-02 -7.056393203e-02 2.46 -5.894898840e-01 -5.894898840e-01 2.48 -1.068482831e+00 -1.068482831e+00 2.50 -1.510366258e+00 -1.510366258e+00 2.52 -1.917773878e+00 -1.917773878e+00 2.54 -2.293136955e+00 -2.293136955e+00 2.56 -2.638675561e+00 -2.638675561e+00 2.58 -2.956399335e+00 -2.956399335e+00 2.60 -3.248121407e+00 -3.248121407e+00 2.62 -3.515480220e+00 -3.515480220e+00 2.64 -3.759989249e+00 -3.759989249e+00 2.66 -3.983039381e+00 -3.983039381e+00 2.68 -4.185944317e+00 -4.185944317e+00 2.70 -4.369951337e+00 -4.369951337e+00 2.72 -4.536250145e+00 -4.536250145e+00 2.74 -4.685975518e+00 -4.685975518e+00 2.76 -4.820205595e+00 -4.820205595e+00 2.78 -4.939946772e+00 -4.939946772e+00 2.80 -5.046097010e+00 -5.046097010e+00 2.82 -5.139682060e+00 -5.139682060e+00 2.84 -5.221526521e+00 -5.221526521e+00 2.86 -5.292342981e+00 -5.292342981e+00 2.88 -5.352808202e+00 -5.352808202e+00 2.90 -5.403566382e+00 -5.403566382e+00 2.92 -5.445232240e+00 -5.445232240e+00 2.94 -5.478393271e+00 -5.478393271e+00 2.96 -5.503610901e+00 -5.503610901e+00 2.98 -5.521403144e+00 -5.521403144e+00 3.00 -5.532022334e+00 -5.532022334e+00 3.02 -5.535564697e+00 -5.535564697e+00 3.04 -5.532165941e+00 -5.532165941e+00 3.06 -5.522011016e+00 -5.522011016e+00 3.08 -5.505302138e+00 -5.505302138e+00 3.10 -5.482269984e+00 -5.482269984e+00 3.12 -5.453161544e+00 -5.453161544e+00 3.14 -5.418255908e+00 -5.418255908e+00 3.16 -5.377835252e+00 -5.377835252e+00 3.18 -5.332204305e+00 -5.332204305e+00 3.20 -5.281684360e+00 -5.281684360e+00 3.22 -5.226612968e+00 -5.226612968e+00 3.24 -5.167343951e+00 -5.167343951e+00 3.26 -5.104247234e+00 -5.104247234e+00 3.28 -5.037707222e+00 -5.037707222e+00 3.30 -4.968118027e+00 -4.968118027e+00 3.32 -4.895874419e+00 -4.895874419e+00 3.34 -4.821358876e+00 -4.821358876e+00 3.36 -4.744926842e+00 -4.744926842e+00 3.38 -4.666893413e+00 -4.666893413e+00 3.40 -4.587522843e+00 -4.587522843e+00 3.42 -4.507031756e+00 -4.507031756e+00 3.44 -4.425581639e+00 -4.425581639e+00 3.46 -4.343292490e+00 -4.343292490e+00 3.48 -4.260249444e+00 -4.260249444e+00 3.50 -4.176511533e+00 -4.176511533e+00 3.52 -4.092119574e+00 -4.092119574e+00 3.54 -4.007102786e+00 -4.007102786e+00 3.56 -3.921484192e+00 -3.921484192e+00 3.58 -3.835285164e+00 -3.835285164e+00 3.60 -3.748529470e+00 -3.748529470e+00 3.62 -3.661247182e+00 -3.661247182e+00 3.64 -3.573478666e+00 -3.573478666e+00 3.66 -3.485278731e+00 -3.485278731e+00 3.68 -3.396720913e+00 -3.396720913e+00 3.70 -3.307901703e+00 -3.307901703e+00 3.72 -3.218944460e+00 -3.218944460e+00 3.74 -3.130002615e+00 -3.130002615e+00 3.76 -3.041262174e+00 -3.041262174e+00 3.78 -2.952953815e+00 -2.952953815e+00 3.80 -2.865322421e+00 -2.865322421e+00 3.82 -2.778632922e+00 -2.778632922e+00 3.84 -2.693171204e+00 -2.693171204e+00 3.86 -2.609233576e+00 -2.609233576e+00 3.88 -2.527113961e+00 -2.527113961e+00 3.90 -2.447089836e+00 -2.447089836e+00 3.92 -2.369404837e+00 -2.369404837e+00 3.94 -2.294271635e+00 -2.294271635e+00 3.96 -2.221839792e+00 -2.221839792e+00 3.98 -2.152204678e+00 -2.152204678e+00 4.00 -2.085394880e+00 -2.085394880e+00 4.02 -2.021387804e+00 -2.021387804e+00 4.04 -1.960119908e+00 -1.960119908e+00 4.06 -1.901494964e+00 -1.901494964e+00 4.08 -1.845392910e+00 -1.845392910e+00 4.10 -1.791670663e+00 -1.791670663e+00 4.12 -1.740201405e+00 -1.740201405e+00 4.14 -1.690830406e+00 -1.690830406e+00 4.16 -1.643415045e+00 -1.643415045e+00 4.18 -1.597818773e+00 -1.597818773e+00 4.20 -1.553913327e+00 -1.553913327e+00 4.22 -1.511580011e+00 -1.511580011e+00 4.24 -1.470710252e+00 -1.470710252e+00 4.26 -1.431205621e+00 -1.431205621e+00 4.28 -1.392977475e+00 -1.392977475e+00 4.30 -1.355946363e+00 -1.355946363e+00 4.32 -1.320041281e+00 -1.320041281e+00 4.34 -1.285198868e+00 -1.285198868e+00 4.36 -1.251362589e+00 -1.251362589e+00 4.38 -1.218481939e+00 -1.218481939e+00 4.40 -1.186511698e+00 -1.186511698e+00 4.42 -1.155411247e+00 -1.155411247e+00 4.44 -1.125143948e+00 -1.125143948e+00 4.46 -1.095676594e+00 -1.095676594e+00 4.48 -1.066978920e+00 -1.066978920e+00 4.50 -1.039023178e+00 -1.039023178e+00 4.52 -1.011783773e+00 -1.011783773e+00 4.54 -9.852369395e-01 -9.852369395e-01 4.56 -9.593604790e-01 -9.593604790e-01 4.58 -9.341335333e-01 -9.341335333e-01 4.60 -9.095363993e-01 -9.095363993e-01 4.62 -8.855503798e-01 -8.855503798e-01 4.64 -8.621576644e-01 -8.621576644e-01 4.66 -8.393412396e-01 -8.393412396e-01 4.68 -8.170848200e-01 -8.170848200e-01 4.70 -7.953727988e-01 -7.953727988e-01 4.72 -7.741902102e-01 -7.741902102e-01 4.74 -7.535227001e-01 -7.535227001e-01 4.76 -7.333564998e-01 -7.333564998e-01 4.78 -7.136783973e-01 -7.136783973e-01 4.80 -6.944694001e-01 -6.944694001e-01 4.82 -6.757309825e-01 -6.757309825e-01 4.84 -6.574438168e-01 -6.574438168e-01 4.86 -6.395965458e-01 -6.395965458e-01 4.88 -6.221781215e-01 -6.221781215e-01 4.90 -6.051777388e-01 -6.051777388e-01 4.92 -5.885847669e-01 -5.885847669e-01 4.94 -5.723886813e-01 -5.723886813e-01 4.96 -5.565789999e-01 -5.565789999e-01 4.98 -5.411452257e-01 -5.411452257e-01 5.00 -5.260767971e-01 -5.260767971e-01 5.02 -5.113630496e-01 -5.113630496e-01 5.04 -4.969931895e-01 -4.969931895e-01 5.06 -4.829562811e-01 -4.829562811e-01 5.08 -4.692412498e-01 -4.692412498e-01 5.10 -4.558369019e-01 -4.558369019e-01 5.12 -4.427319645e-01 -4.427319645e-01 5.14 -4.299151475e-01 -4.299151475e-01 5.16 -4.173752295e-01 -4.173752295e-01 5.18 -4.051011720e-01 -4.051011720e-01 5.20 -3.930822625e-01 -3.930822625e-01 5.22 -3.813082894e-01 -3.813082894e-01 5.24 -3.697697466e-01 -3.697697466e-01 5.26 -3.584580668e-01 -3.584580668e-01 5.28 -3.473658749e-01 -3.473658749e-01 5.30 -3.364872527e-01 -3.364872527e-01 5.32 -3.258179958e-01 -3.258179958e-01 5.34 -3.153558445e-01 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-1.282099722e-01 -1.282099722e-01 5.88 -1.238844699e-01 -1.238844699e-01 5.90 -1.196645542e-01 -1.196645542e-01 5.92 -1.155380148e-01 -1.155380148e-01 5.94 -1.114933467e-01 -1.114933467e-01 5.96 -1.075197758e-01 -1.075197758e-01 5.98 -1.036072896e-01 -1.036072896e-01 6.00 -9.974668155e-02 -9.974668155e-02