# 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 = Ag2CuTa # 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 2.578597823e+02 2.578597823e+02 1.30 2.386251857e+02 2.386251857e+02 1.32 2.208452693e+02 2.208452693e+02 1.34 2.044017747e+02 2.044017747e+02 1.36 1.891866755e+02 1.891866755e+02 1.38 1.751020572e+02 1.751020572e+02 1.40 1.620592456e+02 1.620592456e+02 1.42 1.499775095e+02 1.499775095e+02 1.44 1.387824967e+02 1.387824967e+02 1.46 1.284047519e+02 1.284047519e+02 1.48 1.187788990e+02 1.187788990e+02 1.50 1.098437333e+02 1.098437333e+02 1.52 1.015428261e+02 1.015428261e+02 1.54 9.382499650e+01 9.382499650e+01 1.56 8.664435717e+01 8.664435717e+01 1.58 7.996004426e+01 7.996004426e+01 1.60 7.373579741e+01 7.373579741e+01 1.62 6.793940643e+01 6.793940643e+01 1.64 6.254200560e+01 6.254200560e+01 1.66 5.751731128e+01 5.751731128e+01 1.68 5.284206667e+01 5.284206667e+01 1.70 4.849790470e+01 4.849790470e+01 1.72 4.446325997e+01 4.446325997e+01 1.74 4.071716262e+01 4.071716262e+01 1.76 3.724048043e+01 3.724048043e+01 1.78 3.401644612e+01 3.401644612e+01 1.80 3.102731932e+01 3.102731932e+01 1.82 2.825644940e+01 2.825644940e+01 1.84 2.568843192e+01 2.568843192e+01 1.86 2.330904473e+01 2.330904473e+01 1.88 2.110511419e+01 2.110511419e+01 1.90 1.906436501e+01 1.906436501e+01 1.92 1.717529549e+01 1.717529549e+01 1.94 1.542709379e+01 1.542709379e+01 1.96 1.380958979e+01 1.380958979e+01 1.98 1.231322904e+01 1.231322904e+01 2.00 1.092906088e+01 1.092906088e+01 2.02 9.648743317e+00 9.648743317e+00 2.04 8.464565259e+00 8.464565259e+00 2.06 7.369471872e+00 7.369471872e+00 2.08 6.357069164e+00 6.357069164e+00 2.10 5.421591947e+00 5.421591947e+00 2.12 4.557837848e+00 4.557837848e+00 2.14 3.761083419e+00 3.761083419e+00 2.16 3.027000196e+00 3.027000196e+00 2.18 2.351582168e+00 2.351582168e+00 2.20 1.731087652e+00 1.731087652e+00 2.22 1.161992478e+00 1.161992478e+00 2.24 6.409492137e-01 6.409492137e-01 2.26 1.647487855e-01 1.647487855e-01 2.28 -2.697151162e-01 -2.697151162e-01 2.30 -6.654735042e-01 -6.654735042e-01 2.32 -1.025479506e+00 -1.025479506e+00 2.34 -1.352477602e+00 -1.352477602e+00 2.36 -1.649401340e+00 -1.649401340e+00 2.38 -1.919077340e+00 -1.919077340e+00 2.40 -2.164070252e+00 -2.164070252e+00 2.42 -2.386651939e+00 -2.386651939e+00 2.44 -2.588792009e+00 -2.588792009e+00 2.46 -2.771953937e+00 -2.771953937e+00 2.48 -2.937179755e+00 -2.937179755e+00 2.50 -3.085485606e+00 -3.085485606e+00 2.52 -3.217877419e+00 -3.217877419e+00 2.54 -3.335347303e+00 -3.335347303e+00 2.56 -3.438875249e+00 -3.438875249e+00 2.58 -3.529432519e+00 -3.529432519e+00 2.60 -3.607982365e+00 -3.607982365e+00 2.62 -3.675474356e+00 -3.675474356e+00 2.64 -3.732831027e+00 -3.732831027e+00 2.66 -3.780929214e+00 -3.780929214e+00 2.68 -3.820581104e+00 -3.820581104e+00 2.70 -3.852520044e+00 -3.852520044e+00 2.72 -3.877395889e+00 -3.877395889e+00 2.74 -3.895972755e+00 -3.895972755e+00 2.76 -3.908670224e+00 -3.908670224e+00 2.78 -3.915669211e+00 -3.915669211e+00 2.80 -3.917145170e+00 -3.917145170e+00 2.82 -3.913270046e+00 -3.913270046e+00 2.84 -3.904215603e+00 -3.904215603e+00 2.86 -3.890157676e+00 -3.890157676e+00 2.88 -3.871280585e+00 -3.871280585e+00 2.90 -3.847791210e+00 -3.847791210e+00 2.92 -3.819930135e+00 -3.819930135e+00 2.94 -3.787950587e+00 -3.787950587e+00 2.96 -3.752115646e+00 -3.752115646e+00 2.98 -3.712819974e+00 -3.712819974e+00 3.00 -3.670374287e+00 -3.670374287e+00 3.02 -3.624893423e+00 -3.624893423e+00 3.04 -3.576522053e+00 -3.576522053e+00 3.06 -3.525426740e+00 -3.525426740e+00 3.08 -3.471787411e+00 -3.471787411e+00 3.10 -3.415789472e+00 -3.415789472e+00 3.12 -3.357617272e+00 -3.357617272e+00 3.14 -3.297449927e+00 -3.297449927e+00 3.16 -3.235466113e+00 -3.235466113e+00 3.18 -3.171846965e+00 -3.171846965e+00 3.20 -3.106769196e+00 -3.106769196e+00 3.22 -3.040409846e+00 -3.040409846e+00 3.24 -2.972951863e+00 -2.972951863e+00 3.26 -2.904588344e+00 -2.904588344e+00 3.28 -2.835524426e+00 -2.835524426e+00 3.30 -2.765976229e+00 -2.765976229e+00 3.32 -2.696166809e+00 -2.696166809e+00 3.34 -2.626319527e+00 -2.626319527e+00 3.36 -2.556649736e+00 -2.556649736e+00 3.38 -2.487355890e+00 -2.487355890e+00 3.40 -2.418611267e+00 -2.418611267e+00 3.42 -2.350557348e+00 -2.350557348e+00 3.44 -2.283299521e+00 -2.283299521e+00 3.46 -2.216905452e+00 -2.216905452e+00 3.48 -2.151406005e+00 -2.151406005e+00 3.50 -2.086798367e+00 -2.086798367e+00 3.52 -2.023050842e+00 -2.023050842e+00 3.54 -1.960108752e+00 -1.960108752e+00 3.56 -1.897900990e+00 -1.897900990e+00 3.58 -1.836346834e+00 -1.836346834e+00 3.60 -1.775362790e+00 -1.775362790e+00 3.62 -1.714869338e+00 -1.714869338e+00 3.64 -1.654797464e+00 -1.654797464e+00 3.66 -1.595094904e+00 -1.595094904e+00 3.68 -1.535731939e+00 -1.535731939e+00 3.70 -1.476706529e+00 -1.476706529e+00 3.72 -1.418048438e+00 -1.418048438e+00 3.74 -1.359821950e+00 -1.359821950e+00 3.76 -1.302126729e+00 -1.302126729e+00 3.78 -1.245096401e+00 -1.245096401e+00 3.80 -1.188894598e+00 -1.188894598e+00 3.82 -1.133708430e+00 -1.133708430e+00 3.84 -1.079739652e+00 -1.079739652e+00 3.86 -1.027194178e+00 -1.027194178e+00 3.88 -9.762708233e-01 -9.762708233e-01 3.90 -9.271503891e-01 -9.271503891e-01 3.92 -8.799861338e-01 -8.799861338e-01 3.94 -8.348965287e-01 -8.348965287e-01 3.96 -7.919608232e-01 -7.919608232e-01 3.98 -7.512175833e-01 -7.512175833e-01 4.00 -7.126659676e-01 -7.126659676e-01 4.02 -6.762692433e-01 -6.762692433e-01 4.04 -6.419598920e-01 -6.419598920e-01 4.06 -6.096456283e-01 -6.096456283e-01 4.08 -5.792157268e-01 -5.792157268e-01 4.10 -5.505471798e-01 -5.505471798e-01 4.12 -5.235103700e-01 -5.235103700e-01 4.14 -4.979740306e-01 -4.979740306e-01 4.16 -4.738094614e-01 -4.738094614e-01 4.18 -4.508939579e-01 -4.508939579e-01 4.20 -4.291135100e-01 -4.291135100e-01 4.22 -4.083648229e-01 -4.083648229e-01 4.24 -3.885567174e-01 -3.885567174e-01 4.26 -3.696109514e-01 -3.696109514e-01 4.28 -3.514624961e-01 -3.514624961e-01 4.30 -3.340592891e-01 -3.340592891e-01 4.32 -3.173614942e-01 -3.173614942e-01 4.34 -3.013403046e-01 -3.013403046e-01 4.36 -2.859763534e-01 -2.859763534e-01 4.38 -2.712578124e-01 -2.712578124e-01 4.40 -2.571782859e-01 -2.571782859e-01 4.42 -2.437346202e-01 -2.437346202e-01 4.44 -2.309247564e-01 -2.309247564e-01 4.46 -2.187457536e-01 -2.187457536e-01 4.48 -2.071920962e-01 -2.071920962e-01 4.50 -1.962543797e-01 -1.962543797e-01 4.52 -1.859184380e-01 -1.859184380e-01 4.54 -1.761649379e-01 -1.761649379e-01 4.56 -1.669694242e-01 -1.669694242e-01 4.58 -1.583027617e-01 -1.583027617e-01 4.60 -1.501318837e-01 -1.501318837e-01 4.62 -1.424207534e-01 -1.424207534e-01 4.64 -1.351314327e-01 -1.351314327e-01 4.66 -1.282251340e-01 -1.282251340e-01 4.68 -1.216627458e-01 -1.216627458e-01 4.70 -1.154070875e-01 -1.154070875e-01 4.72 -1.094230032e-01 -1.094230032e-01 4.74 -1.036777042e-01 -1.036777042e-01 4.76 -9.814139693e-02 -9.814139693e-02 4.78 -9.278776776e-02 -9.278776776e-02 4.80 -8.759434858e-02 -8.759434858e-02 4.82 -8.254278931e-02 -8.254278931e-02 4.84 -7.761902712e-02 -7.761902712e-02 4.86 -7.281337679e-02 -7.281337679e-02 4.88 -6.812051232e-02 -6.812051232e-02 4.90 -6.353933198e-02 -6.353933198e-02 4.92 -5.907268818e-02 -5.907268818e-02 4.94 -5.472696861e-02 -5.472696861e-02 4.96 -5.051152475e-02 -5.051152475e-02 4.98 -4.643795768e-02 -4.643795768e-02 5.00 -4.251928934e-02 -4.251928934e-02 5.02 -3.876905824e-02 -3.876905824e-02 5.04 -3.520040349e-02 -3.520040349e-02 5.06 -3.182519976e-02 -3.182519976e-02 5.08 -2.865330290e-02 -2.865330290e-02 5.10 -2.569196346e-02 -2.569196346e-02 5.12 -2.294543861e-02 -2.294543861e-02 5.14 -2.041481551e-02 -2.041481551e-02 5.16 -1.809804547e-02 -1.809804547e-02 5.18 -1.599015848e-02 -1.599015848e-02 5.20 -1.408347932e-02 -1.408347932e-02 5.22 -1.236813717e-02 -1.236813717e-02 5.24 -1.083308149e-02 -1.083308149e-02 5.26 -9.466058605e-03 -9.466058605e-03 5.28 -8.254087756e-03 -8.254087756e-03 5.30 -7.183905205e-03 -7.183905205e-03 5.32 -6.242335929e-03 -6.242335929e-03 5.34 -5.416588492e-03 -5.416588492e-03 5.36 -4.694475419e-03 -4.694475419e-03 5.38 -4.064565880e-03 -4.064565880e-03 5.40 -3.516280024e-03 -3.516280024e-03 5.42 -3.039935355e-03 -3.039935355e-03 5.44 -2.626755372e-03 -2.626755372e-03 5.46 -2.268849933e-03 -2.268849933e-03 5.48 -1.959175517e-03 -1.959175517e-03 5.50 -1.691482220e-03 -1.691482220e-03 5.52 -1.460252960e-03 -1.460252960e-03 5.54 -1.260639063e-03 -1.260639063e-03 5.56 -1.088395389e-03 -1.088395389e-03 5.58 -9.398171777e-04 -9.398171777e-04 5.60 -8.116801127e-04 -8.116801127e-04 5.62 -7.011845219e-04 -7.011845219e-04 5.64 -6.059041919e-04 -6.059041919e-04 5.66 -5.237399809e-04 -5.237399809e-04 5.68 -4.528781833e-04 -4.528781833e-04 5.70 -3.917534546e-04 -3.917534546e-04 5.72 -3.390160129e-04 -3.390160129e-04 5.74 -2.935027818e-04 -2.935027818e-04 5.76 -2.542121148e-04 -2.542121148e-04 5.78 -2.202817406e-04 -2.202817406e-04 5.80 -1.909695809e-04 -1.909695809e-04 5.82 -1.656371086e-04 -1.656371086e-04 5.84 -1.437349434e-04 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