# 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 = CoCu2Pt # 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 1.627720013e+02 1.627720013e+02 1.30 1.501157942e+02 1.501157942e+02 1.32 1.383721103e+02 1.383721103e+02 1.34 1.274826242e+02 1.274826242e+02 1.36 1.173918849e+02 1.173918849e+02 1.38 1.080411843e+02 1.080411843e+02 1.40 9.936817977e+01 9.936817977e+01 1.42 9.131101812e+01 9.131101812e+01 1.44 8.381337751e+01 8.381337751e+01 1.46 7.682785805e+01 7.682785805e+01 1.48 7.031662594e+01 7.031662594e+01 1.50 6.424930444e+01 6.424930444e+01 1.52 5.859911612e+01 5.859911612e+01 1.54 5.333927808e+01 5.333927808e+01 1.56 4.844148214e+01 4.844148214e+01 1.58 4.387651323e+01 4.387651323e+01 1.60 3.961573523e+01 3.961573523e+01 1.62 3.564555059e+01 3.564555059e+01 1.64 3.199646001e+01 3.199646001e+01 1.66 2.864649300e+01 2.864649300e+01 1.68 2.557153338e+01 2.557153338e+01 1.70 2.275179676e+01 2.275179676e+01 1.72 2.017056220e+01 2.017056220e+01 1.74 1.781262220e+01 1.781262220e+01 1.76 1.566297705e+01 1.566297705e+01 1.78 1.370623986e+01 1.370623986e+01 1.80 1.192677677e+01 1.192677677e+01 1.82 1.030922326e+01 1.030922326e+01 1.84 8.838980260e+00 8.838980260e+00 1.86 7.502489903e+00 7.502489903e+00 1.88 6.287291549e+00 6.287291549e+00 1.90 5.181964242e+00 5.181964242e+00 1.92 4.176065894e+00 4.176065894e+00 1.94 3.260125435e+00 3.260125435e+00 1.96 2.425687031e+00 2.425687031e+00 1.98 1.665364994e+00 1.665364994e+00 2.00 9.728454874e-01 9.728454874e-01 2.02 3.427861275e-01 3.427861275e-01 2.04 -2.293811019e-01 -2.293811019e-01 2.06 -7.476865274e-01 -7.476865274e-01 2.08 -1.215832052e+00 -1.215832052e+00 2.10 -1.637333175e+00 -1.637333175e+00 2.12 -2.015587743e+00 -2.015587743e+00 2.14 -2.353885971e+00 -2.353885971e+00 2.16 -2.655384021e+00 -2.655384021e+00 2.18 -2.923064603e+00 -2.923064603e+00 2.20 -3.159704036e+00 -3.159704036e+00 2.22 -3.367856681e+00 -3.367856681e+00 2.24 -3.549858984e+00 -3.549858984e+00 2.26 -3.707850876e+00 -3.707850876e+00 2.28 -3.843810293e+00 -3.843810293e+00 2.30 -3.960474395e+00 -3.960474395e+00 2.32 -4.060498539e+00 -4.060498539e+00 2.34 -4.145017022e+00 -4.145017022e+00 2.36 -4.215142163e+00 -4.215142163e+00 2.38 -4.271945056e+00 -4.271945056e+00 2.40 -4.316433561e+00 -4.316433561e+00 2.42 -4.349549314e+00 -4.349549314e+00 2.44 -4.372195326e+00 -4.372195326e+00 2.46 -4.385274365e+00 -4.385274365e+00 2.48 -4.389608785e+00 -4.389608785e+00 2.50 -4.386042011e+00 -4.386042011e+00 2.52 -4.375448238e+00 -4.375448238e+00 2.54 -4.358712940e+00 -4.358712940e+00 2.56 -4.336697986e+00 -4.336697986e+00 2.58 -4.310199125e+00 -4.310199125e+00 2.60 -4.279906990e+00 -4.279906990e+00 2.62 -4.246668356e+00 -4.246668356e+00 2.64 -4.210928190e+00 -4.210928190e+00 2.66 -4.172481011e+00 -4.172481011e+00 2.68 -4.131179624e+00 -4.131179624e+00 2.70 -4.086943137e+00 -4.086943137e+00 2.72 -4.039755617e+00 -4.039755617e+00 2.74 -3.989656303e+00 -3.989656303e+00 2.76 -3.936722608e+00 -3.936722608e+00 2.78 -3.881058830e+00 -3.881058830e+00 2.80 -3.822808094e+00 -3.822808094e+00 2.82 -3.762105693e+00 -3.762105693e+00 2.84 -3.699070957e+00 -3.699070957e+00 2.86 -3.633821372e+00 -3.633821372e+00 2.88 -3.566492358e+00 -3.566492358e+00 2.90 -3.497258265e+00 -3.497258265e+00 2.92 -3.426350048e+00 -3.426350048e+00 2.94 -3.354065248e+00 -3.354065248e+00 2.96 -3.280766802e+00 -3.280766802e+00 2.98 -3.206869049e+00 -3.206869049e+00 3.00 -3.132812191e+00 -3.132812191e+00 3.02 -3.059029817e+00 -3.059029817e+00 3.04 -2.985964873e+00 -2.985964873e+00 3.06 -2.914079891e+00 -2.914079891e+00 3.08 -2.843715690e+00 -2.843715690e+00 3.10 -2.775079085e+00 -2.775079085e+00 3.12 -2.708261204e+00 -2.708261204e+00 3.14 -2.643262265e+00 -2.643262265e+00 3.16 -2.580017530e+00 -2.580017530e+00 3.18 -2.518420777e+00 -2.518420777e+00 3.20 -2.458343363e+00 -2.458343363e+00 3.22 -2.399648509e+00 -2.399648509e+00 3.24 -2.342201386e+00 -2.342201386e+00 3.26 -2.285875936e+00 -2.285875936e+00 3.28 -2.230559367e+00 -2.230559367e+00 3.30 -2.176154987e+00 -2.176154987e+00 3.32 -2.122583839e+00 -2.122583839e+00 3.34 -2.069785317e+00 -2.069785317e+00 3.36 -2.017716882e+00 -2.017716882e+00 3.38 -1.966352919e+00 -1.966352919e+00 3.40 -1.915682838e+00 -1.915682838e+00 3.42 -1.865708553e+00 -1.865708553e+00 3.44 -1.816441537e+00 -1.816441537e+00 3.46 -1.767899708e+00 -1.767899708e+00 3.48 -1.720104354e+00 -1.720104354e+00 3.50 -1.673077325e+00 -1.673077325e+00 3.52 -1.626838642e+00 -1.626838642e+00 3.54 -1.581404621e+00 -1.581404621e+00 3.56 -1.536786575e+00 -1.536786575e+00 3.58 -1.492990095e+00 -1.492990095e+00 3.60 -1.450014903e+00 -1.450014903e+00 3.62 -1.407855229e+00 -1.407855229e+00 3.64 -1.366500690e+00 -1.366500690e+00 3.66 -1.325937588e+00 -1.325937588e+00 3.68 -1.286150572e+00 -1.286150572e+00 3.70 -1.247124543e+00 -1.247124543e+00 3.72 -1.208846657e+00 -1.208846657e+00 3.74 -1.171308215e+00 -1.171308215e+00 3.76 -1.134506217e+00 -1.134506217e+00 3.78 -1.098444295e+00 -1.098444295e+00 3.80 -1.063132801e+00 -1.063132801e+00 3.82 -1.028587895e+00 -1.028587895e+00 3.84 -9.948296179e-01 -9.948296179e-01 3.86 -9.618791169e-01 -9.618791169e-01 3.88 -9.297553855e-01 -9.297553855e-01 3.90 -8.984719839e-01 -8.984719839e-01 3.92 -8.680342535e-01 -8.680342535e-01 3.94 -8.384374571e-01 -8.384374571e-01 3.96 -8.096660924e-01 -8.096660924e-01 3.98 -7.816944543e-01 -7.816944543e-01 4.00 -7.544882939e-01 -7.544882939e-01 4.02 -7.280073099e-01 -7.280073099e-01 4.04 -7.022081364e-01 -7.022081364e-01 4.06 -6.770474880e-01 -6.770474880e-01 4.08 -6.524851606e-01 -6.524851606e-01 4.10 -6.284866290e-01 -6.284866290e-01 4.12 -6.050250613e-01 -6.050250613e-01 4.14 -5.820825498e-01 -5.820825498e-01 4.16 -5.596505318e-01 -5.596505318e-01 4.18 -5.377293271e-01 -5.377293271e-01 4.20 -5.163268742e-01 -5.163268742e-01 4.22 -4.954568239e-01 -4.954568239e-01 4.24 -4.751362325e-01 -4.751362325e-01 4.26 -4.553831556e-01 -4.553831556e-01 4.28 -4.362144465e-01 -4.362144465e-01 4.30 -4.176440109e-01 -4.176440109e-01 4.32 -3.996816641e-01 -3.996816641e-01 4.34 -3.823326188e-01 -3.823326188e-01 4.36 -3.655975029e-01 -3.655975029e-01 4.38 -3.494727299e-01 -3.494727299e-01 4.40 -3.339510032e-01 -3.339510032e-01 4.42 -3.190217609e-01 -3.190217609e-01 4.44 -3.046714292e-01 -3.046714292e-01 4.46 -2.908834422e-01 -2.908834422e-01 4.48 -2.776380707e-01 -2.776380707e-01 4.50 -2.649121705e-01 -2.649121705e-01 4.52 -2.526789884e-01 -2.526789884e-01 4.54 -2.409081594e-01 -2.409081594e-01 4.56 -2.295659928e-01 -2.295659928e-01 4.58 -2.186160918e-01 -2.186160918e-01 4.60 -2.080202997e-01 -2.080202997e-01 4.62 -1.977399188e-01 -1.977399188e-01 4.64 -1.877371200e-01 -1.877371200e-01 4.66 -1.779764713e-01 -1.779764713e-01 4.68 -1.684264324e-01 -1.684264324e-01 4.70 -1.590607708e-01 -1.590607708e-01 4.72 -1.498601983e-01 -1.498601983e-01 4.74 -1.408127923e-01 -1.408127923e-01 4.76 -1.319137811e-01 -1.319137811e-01 4.78 -1.231672971e-01 -1.231672971e-01 4.80 -1.145857200e-01 -1.145857200e-01 4.82 -1.061888989e-01 -1.061888989e-01 4.84 -9.800294401e-02 -9.800294401e-02 4.86 -9.005863848e-02 -9.005863848e-02 4.88 -8.238955627e-02 -8.238955627e-02 4.90 -7.503001542e-02 -7.503001542e-02 4.92 -6.801301754e-02 -6.801301754e-02 4.94 -6.136832753e-02 -6.136832753e-02 4.96 -5.512083292e-02 -5.512083292e-02 4.98 -4.928929073e-02 -4.928929073e-02 5.00 -4.388552822e-02 -4.388552822e-02 5.02 -3.891411795e-02 -3.891411795e-02 5.04 -3.437250348e-02 -3.437250348e-02 5.06 -3.025151586e-02 -3.025151586e-02 5.08 -2.653619437e-02 -2.653619437e-02 5.10 -2.320681178e-02 -2.320681178e-02 5.12 -2.024000127e-02 -2.024000127e-02 5.14 -1.760989231e-02 -1.760989231e-02 5.16 -1.528918282e-02 -1.528918282e-02 5.18 -1.325008808e-02 -1.325008808e-02 5.20 -1.146496776e-02 -1.146496776e-02 5.22 -9.907108441e-03 -9.907108441e-03 5.24 -8.551649985e-03 -8.551649985e-03 5.26 -7.375317563e-03 -7.375317563e-03 5.28 -6.356642811e-03 -6.356642811e-03 5.30 -5.476079725e-03 -5.476079725e-03 5.32 -4.716023590e-03 -4.716023590e-03 5.34 -4.060760098e-03 -4.060760098e-03 5.36 -3.496367255e-03 -3.496367255e-03 5.38 -3.010588055e-03 -3.010588055e-03 5.40 -2.592687708e-03 -2.592687708e-03 5.42 -2.233305518e-03 -2.233305518e-03 5.44 -1.924308518e-03 -1.924308518e-03 5.46 -1.658651587e-03 -1.658651587e-03 5.48 -1.430246952e-03 -1.430246952e-03 5.50 -1.233844650e-03 -1.233844650e-03 5.52 -1.064924546e-03 -1.064924546e-03 5.54 -9.195998897e-04 -9.195998897e-04 5.56 -7.945319095e-04 -7.945319095e-04 5.58 -6.868547380e-04 -6.868547380e-04 5.60 -5.941097886e-04 -5.941097886e-04 5.62 -5.141886664e-04 -5.141886664e-04 5.64 -4.452836904e-04 -4.452836904e-04 5.66 -3.858451468e-04 -3.858451468e-04 5.68 -3.345444502e-04 -3.345444502e-04 5.70 -2.902424601e-04 -2.902424601e-04 5.72 -2.519622763e-04 -2.519622763e-04 5.74 -2.188659100e-04 -2.188659100e-04 5.76 -1.902342971e-04 -1.902342971e-04 5.78 -1.654501898e-04 -1.654501898e-04 5.80 -1.439835181e-04 -1.439835181e-04 5.82 -1.253788708e-04 -1.253788708e-04 5.84 -1.092447907e-04 -1.092447907e-04 5.86 -9.524462147e-05 -9.524462147e-05 5.88 -8.308868281e-05 -8.308868281e-05 5.90 -7.252757847e-05 -7.252757847e-05 5.92 -6.334647358e-05 -6.334647358e-05 5.94 -5.536019874e-05 -5.536019874e-05 5.96 -4.840906052e-05 -4.840906052e-05 5.98 -4.235525507e-05 -4.235525507e-05 6.00 -3.707979678e-05 -3.707979678e-05