# 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 = CoNi2Zr # 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 1.609467102e+02 1.609467102e+02 1.30 1.479934149e+02 1.479934149e+02 1.32 1.360483871e+02 1.360483871e+02 1.34 1.250253084e+02 1.250253084e+02 1.36 1.148478522e+02 1.148478522e+02 1.38 1.054494707e+02 1.054494707e+02 1.40 9.677154966e+01 9.677154966e+01 1.42 8.876093093e+01 8.876093093e+01 1.44 8.136778609e+01 8.136778609e+01 1.46 7.454458419e+01 7.454458419e+01 1.48 6.824621377e+01 6.824621377e+01 1.50 6.243048201e+01 6.243048201e+01 1.52 5.705840231e+01 5.705840231e+01 1.54 5.209422289e+01 5.209422289e+01 1.56 4.750535828e+01 4.750535828e+01 1.58 4.326226213e+01 4.326226213e+01 1.60 3.933818712e+01 3.933818712e+01 1.62 3.570888957e+01 3.570888957e+01 1.64 3.235231971e+01 3.235231971e+01 1.66 2.924828072e+01 2.924828072e+01 1.68 2.637809877e+01 2.637809877e+01 1.70 2.372442841e+01 2.372442841e+01 1.72 2.127107545e+01 2.127107545e+01 1.74 1.900322181e+01 1.900322181e+01 1.76 1.690709026e+01 1.690709026e+01 1.78 1.496961922e+01 1.496961922e+01 1.80 1.317959799e+01 1.317959799e+01 1.82 1.152667511e+01 1.152667511e+01 1.84 1.000137498e+01 1.000137498e+01 1.86 8.595080627e+00 8.595080627e+00 1.88 7.299787902e+00 7.299787902e+00 1.90 6.107935836e+00 6.107935836e+00 1.92 5.012285571e+00 5.012285571e+00 1.94 4.005871870e+00 4.005871870e+00 1.96 3.082000212e+00 3.082000212e+00 1.98 2.234335335e+00 2.234335335e+00 2.00 1.457010093e+00 1.457010093e+00 2.02 7.446868702e-01 7.446868702e-01 2.04 9.254809704e-02 9.254809704e-02 2.06 -5.037731356e-01 -5.037731356e-01 2.08 -1.048288366e+00 -1.048288366e+00 2.10 -1.544728363e+00 -1.544728363e+00 2.12 -1.996577888e+00 -1.996577888e+00 2.14 -2.407083234e+00 -2.407083234e+00 2.16 -2.779237929e+00 -2.779237929e+00 2.18 -3.115791117e+00 -3.115791117e+00 2.20 -3.419275173e+00 -3.419275173e+00 2.22 -3.692063457e+00 -3.692063457e+00 2.24 -3.936414902e+00 -3.936414902e+00 2.26 -4.154492869e+00 -4.154492869e+00 2.28 -4.348369753e+00 -4.348369753e+00 2.30 -4.519999281e+00 -4.519999281e+00 2.32 -4.671232982e+00 -4.671232982e+00 2.34 -4.803797965e+00 -4.803797965e+00 2.36 -4.919309048e+00 -4.919309048e+00 2.38 -5.019253194e+00 -5.019253194e+00 2.40 -5.104975927e+00 -5.104975927e+00 2.42 -5.177685114e+00 -5.177685114e+00 2.44 -5.238529736e+00 -5.238529736e+00 2.46 -5.288439274e+00 -5.288439274e+00 2.48 -5.328231936e+00 -5.328231936e+00 2.50 -5.358692653e+00 -5.358692653e+00 2.52 -5.380570085e+00 -5.380570085e+00 2.54 -5.394568796e+00 -5.394568796e+00 2.56 -5.401342028e+00 -5.401342028e+00 2.58 -5.401445554e+00 -5.401445554e+00 2.60 -5.395234106e+00 -5.395234106e+00 2.62 -5.383023961e+00 -5.383023961e+00 2.64 -5.365156884e+00 -5.365156884e+00 2.66 -5.341996450e+00 -5.341996450e+00 2.68 -5.313855775e+00 -5.313855775e+00 2.70 -5.281071412e+00 -5.281071412e+00 2.72 -5.244012416e+00 -5.244012416e+00 2.74 -5.203080279e+00 -5.203080279e+00 2.76 -5.158695207e+00 -5.158695207e+00 2.78 -5.111273561e+00 -5.111273561e+00 2.80 -5.061214953e+00 -5.061214953e+00 2.82 -5.008854227e+00 -5.008854227e+00 2.84 -4.954436592e+00 -4.954436592e+00 2.86 -4.898104199e+00 -4.898104199e+00 2.88 -4.839823640e+00 -4.839823640e+00 2.90 -4.779561872e+00 -4.779561872e+00 2.92 -4.717319701e+00 -4.717319701e+00 2.94 -4.653130301e+00 -4.653130301e+00 2.96 -4.587057227e+00 -4.587057227e+00 2.98 -4.519191711e+00 -4.519191711e+00 3.00 -4.449649208e+00 -4.449649208e+00 3.02 -4.378565091e+00 -4.378565091e+00 3.04 -4.306087294e+00 -4.306087294e+00 3.06 -4.232379860e+00 -4.232379860e+00 3.08 -4.157602243e+00 -4.157602243e+00 3.10 -4.081915069e+00 -4.081915069e+00 3.12 -4.005471900e+00 -4.005471900e+00 3.14 -3.928426764e+00 -3.928426764e+00 3.16 -3.850920403e+00 -3.850920403e+00 3.18 -3.773091708e+00 -3.773091708e+00 3.20 -3.695076877e+00 -3.695076877e+00 3.22 -3.617011518e+00 -3.617011518e+00 3.24 -3.539032824e+00 -3.539032824e+00 3.26 -3.461281462e+00 -3.461281462e+00 3.28 -3.383902406e+00 -3.383902406e+00 3.30 -3.307043763e+00 -3.307043763e+00 3.32 -3.230852944e+00 -3.230852944e+00 3.34 -3.155470365e+00 -3.155470365e+00 3.36 -3.081021858e+00 -3.081021858e+00 3.38 -3.007611599e+00 -3.007611599e+00 3.40 -2.935316075e+00 -2.935316075e+00 3.42 -2.864187105e+00 -2.864187105e+00 3.44 -2.794245584e+00 -2.794245584e+00 3.46 -2.725490533e+00 -2.725490533e+00 3.48 -2.657902547e+00 -2.657902547e+00 3.50 -2.591448959e+00 -2.591448959e+00 3.52 -2.526088636e+00 -2.526088636e+00 3.54 -2.461776063e+00 -2.461776063e+00 3.56 -2.398464623e+00 -2.398464623e+00 3.58 -2.336109103e+00 -2.336109103e+00 3.60 -2.274667501e+00 -2.274667501e+00 3.62 -2.214102273e+00 -2.214102273e+00 3.64 -2.154381150e+00 -2.154381150e+00 3.66 -2.095477699e+00 -2.095477699e+00 3.68 -2.037371848e+00 -2.037371848e+00 3.70 -1.980050537e+00 -1.980050537e+00 3.72 -1.923508670e+00 -1.923508670e+00 3.74 -1.867750414e+00 -1.867750414e+00 3.76 -1.812790773e+00 -1.812790773e+00 3.78 -1.758657191e+00 -1.758657191e+00 3.80 -1.705390786e+00 -1.705390786e+00 3.82 -1.653046686e+00 -1.653046686e+00 3.84 -1.601692955e+00 -1.601692955e+00 3.86 -1.551407716e+00 -1.551407716e+00 3.88 -1.502274421e+00 -1.502274421e+00 3.90 -1.454375617e+00 -1.454375617e+00 3.92 -1.407784668e+00 -1.407784668e+00 3.94 -1.362564738e+00 -1.362564738e+00 3.96 -1.318754696e+00 -1.318754696e+00 3.98 -1.276372268e+00 -1.276372268e+00 4.00 -1.235411710e+00 -1.235411710e+00 4.02 -1.195845399e+00 -1.195845399e+00 4.04 -1.157627110e+00 -1.157627110e+00 4.06 -1.120696272e+00 -1.120696272e+00 4.08 -1.084982504e+00 -1.084982504e+00 4.10 -1.050405801e+00 -1.050405801e+00 4.12 -1.016897421e+00 -1.016897421e+00 4.14 -9.843758105e-01 -9.843758105e-01 4.16 -9.527679991e-01 -9.527679991e-01 4.18 -9.220062299e-01 -9.220062299e-01 4.20 -8.920291621e-01 -8.920291621e-01 4.22 -8.627826770e-01 -8.627826770e-01 4.24 -8.342203677e-01 -8.342203677e-01 4.26 -8.063037764e-01 -8.063037764e-01 4.28 -7.790024302e-01 -7.790024302e-01 4.30 -7.522937254e-01 -7.522937254e-01 4.32 -7.261627192e-01 -7.261627192e-01 4.34 -7.006018796e-01 -7.006018796e-01 4.36 -6.756108253e-01 -6.756108253e-01 4.38 -6.511960459e-01 -6.511960459e-01 4.40 -6.273705329e-01 -6.273705329e-01 4.42 -6.041532090e-01 -6.041532090e-01 4.44 -5.815680233e-01 -5.815680233e-01 4.46 -5.596426064e-01 -5.596426064e-01 4.48 -5.384064593e-01 -5.384064593e-01 4.50 -5.178887488e-01 -5.178887488e-01 4.52 -4.981158930e-01 -4.981158930e-01 4.54 -4.791091934e-01 -4.791091934e-01 4.56 -4.608827937e-01 -4.608827937e-01 4.58 -4.434422049e-01 -4.434422049e-01 4.60 -4.267835534e-01 -4.267835534e-01 4.62 -4.108935911e-01 -4.108935911e-01 4.64 -3.957504025e-01 -3.957504025e-01 4.66 -3.813246595e-01 -3.813246595e-01 4.68 -3.675812291e-01 -3.675812291e-01 4.70 -3.544809436e-01 -3.544809436e-01 4.72 -3.419823576e-01 -3.419823576e-01 4.74 -3.300431622e-01 -3.300431622e-01 4.76 -3.186219725e-01 -3.186219725e-01 4.78 -3.076795419e-01 -3.076795419e-01 4.80 -2.971760936e-01 -2.971760936e-01 4.82 -2.870852597e-01 -2.870852597e-01 4.84 -2.773737331e-01 -2.773737331e-01 4.86 -2.680160152e-01 -2.680160152e-01 4.88 -2.589905882e-01 -2.589905882e-01 4.90 -2.502797344e-01 -2.502797344e-01 4.92 -2.418691881e-01 -2.418691881e-01 4.94 -2.337476426e-01 -2.337476426e-01 4.96 -2.259061438e-01 -2.259061438e-01 4.98 -2.183374143e-01 -2.183374143e-01 5.00 -2.110351597e-01 -2.110351597e-01 5.02 -2.039934155e-01 -2.039934155e-01 5.04 -1.972059863e-01 -1.972059863e-01 5.06 -1.906660203e-01 -1.906660203e-01 5.08 -1.843657411e-01 -1.843657411e-01 5.10 -1.782963405e-01 -1.782963405e-01 5.12 -1.724480151e-01 -1.724480151e-01 5.14 -1.668101187e-01 -1.668101187e-01 5.16 -1.613713935e-01 -1.613713935e-01 5.18 -1.561202453e-01 -1.561202453e-01 5.20 -1.510450318e-01 -1.510450318e-01 5.22 -1.461343405e-01 -1.461343405e-01 5.24 -1.413772434e-01 -1.413772434e-01 5.26 -1.367635177e-01 -1.367635177e-01 5.28 -1.322838339e-01 -1.322838339e-01 5.30 -1.279299071e-01 -1.279299071e-01 5.32 -1.236946147e-01 -1.236946147e-01 5.34 -1.195720787e-01 -1.195720787e-01 5.36 -1.155577099e-01 -1.155577099e-01 5.38 -1.116482109e-01 -1.116482109e-01 5.40 -1.078415312e-01 -1.078415312e-01 5.42 -1.041367724e-01 -1.041367724e-01 5.44 -1.005340385e-01 -1.005340385e-01 5.46 -9.703423613e-02 -9.703423613e-02 5.48 -9.363883005e-02 -9.363883005e-02 5.50 -9.034956923e-02 -9.034956923e-02 5.52 -8.716820097e-02 -8.716820097e-02 5.54 -8.409619485e-02 -8.409619485e-02 5.56 -8.113449797e-02 -8.113449797e-02 5.58 -7.828334006e-02 -7.828334006e-02 5.60 -7.554202506e-02 -7.554202506e-02 5.62 -7.290897913e-02 -7.290897913e-02 5.64 -7.038183093e-02 -7.038183093e-02 5.66 -6.795732998e-02 -6.795732998e-02 5.68 -6.563145421e-02 -6.563145421e-02 5.70 -6.339954634e-02 -6.339954634e-02 5.72 -6.125646323e-02 -6.125646323e-02 5.74 -5.919672445e-02 -5.919672445e-02 5.76 -5.721465018e-02 -5.721465018e-02 5.78 -5.530448150e-02 -5.530448150e-02 5.80 -5.346047991e-02 -5.346047991e-02 5.82 -5.167700548e-02 -5.167700548e-02 5.84 -4.994857499e-02 -4.994857499e-02 5.86 -4.826990297e-02 -4.826990297e-02 5.88 -4.663592907e-02 -4.663592907e-02 5.90 -4.504183570e-02 -4.504183570e-02 5.92 -4.348305945e-02 -4.348305945e-02 5.94 -4.195529993e-02 -4.195529993e-02 5.96 -4.045452887e-02 -4.045452887e-02 5.98 -3.897700212e-02 -3.897700212e-02 6.00 -3.751927646e-02 -3.751927646e-02