# 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 = Co2MgNi # 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 1.923010255e+02 1.923010255e+02 1.30 1.769240595e+02 1.769240595e+02 1.32 1.627667990e+02 1.627667990e+02 1.34 1.497251367e+02 1.497251367e+02 1.36 1.377057274e+02 1.377057274e+02 1.38 1.266254730e+02 1.266254730e+02 1.40 1.164097392e+02 1.164097392e+02 1.42 1.069904218e+02 1.069904218e+02 1.44 9.830435476e+01 9.830435476e+01 1.46 9.029246744e+01 9.029246744e+01 1.48 8.289991339e+01 8.289991339e+01 1.50 7.607658889e+01 7.607658889e+01 1.52 6.977719775e+01 6.977719775e+01 1.54 6.396075524e+01 6.396075524e+01 1.56 5.858995502e+01 5.858995502e+01 1.58 5.363062385e+01 5.363062385e+01 1.60 4.905206373e+01 4.905206373e+01 1.62 4.482640041e+01 4.482640041e+01 1.64 4.092640067e+01 4.092640067e+01 1.66 3.732698751e+01 3.732698751e+01 1.68 3.400498438e+01 3.400498438e+01 1.70 3.093907410e+01 3.093907410e+01 1.72 2.810966289e+01 2.810966289e+01 1.74 2.549861724e+01 2.549861724e+01 1.76 2.308905015e+01 2.308905015e+01 1.78 2.086530887e+01 2.086530887e+01 1.80 1.881309596e+01 1.881309596e+01 1.82 1.691953841e+01 1.691953841e+01 1.84 1.517308893e+01 1.517308893e+01 1.86 1.356329771e+01 1.356329771e+01 1.88 1.208054006e+01 1.208054006e+01 1.90 1.071577865e+01 1.071577865e+01 1.92 9.460400347e+00 9.460400347e+00 1.94 8.306150184e+00 8.306150184e+00 1.96 7.245159468e+00 7.245159468e+00 1.98 6.270037881e+00 6.270037881e+00 2.00 5.373975986e+00 5.373975986e+00 2.02 4.550806651e+00 4.550806651e+00 2.04 3.794996321e+00 3.794996321e+00 2.06 3.101570611e+00 3.101570611e+00 2.08 2.466009411e+00 2.466009411e+00 2.10 1.884151605e+00 1.884151605e+00 2.12 1.352128849e+00 1.352128849e+00 2.14 8.663279409e-01 8.663279409e-01 2.16 4.233729974e-01 4.233729974e-01 2.18 2.011511019e-02 2.011511019e-02 2.20 -3.463777634e-01 -3.463777634e-01 2.22 -6.788373998e-01 -6.788373998e-01 2.24 -9.798150863e-01 -9.798150863e-01 2.26 -1.251700774e+00 -1.251700774e+00 2.28 -1.496739652e+00 -1.496739652e+00 2.30 -1.717044168e+00 -1.717044168e+00 2.32 -1.914606017e+00 -1.914606017e+00 2.34 -2.091299104e+00 -2.091299104e+00 2.36 -2.248920387e+00 -2.248920387e+00 2.38 -2.389141483e+00 -2.389141483e+00 2.40 -2.513309670e+00 -2.513309670e+00 2.42 -2.622649275e+00 -2.622649275e+00 2.44 -2.718278971e+00 -2.718278971e+00 2.46 -2.801228889e+00 -2.801228889e+00 2.48 -2.872461103e+00 -2.872461103e+00 2.50 -2.932884424e+00 -2.932884424e+00 2.52 -2.983266759e+00 -2.983266759e+00 2.54 -3.024129673e+00 -3.024129673e+00 2.56 -3.055970317e+00 -3.055970317e+00 2.58 -3.079340845e+00 -3.079340845e+00 2.60 -3.094829434e+00 -3.094829434e+00 2.62 -3.103034952e+00 -3.103034952e+00 2.64 -3.104541196e+00 -3.104541196e+00 2.66 -3.099895942e+00 -3.099895942e+00 2.68 -3.089604564e+00 -3.089604564e+00 2.70 -3.074135353e+00 -3.074135353e+00 2.72 -3.053931851e+00 -3.053931851e+00 2.74 -3.029424139e+00 -3.029424139e+00 2.76 -3.001033507e+00 -3.001033507e+00 2.78 -2.969169125e+00 -2.969169125e+00 2.80 -2.934219997e+00 -2.934219997e+00 2.82 -2.896544662e+00 -2.896544662e+00 2.84 -2.856465242e+00 -2.856465242e+00 2.86 -2.814265654e+00 -2.814265654e+00 2.88 -2.770194792e+00 -2.770194792e+00 2.90 -2.724473101e+00 -2.724473101e+00 2.92 -2.677300902e+00 -2.677300902e+00 2.94 -2.628867103e+00 -2.628867103e+00 2.96 -2.579357352e+00 -2.579357352e+00 2.98 -2.528960707e+00 -2.528960707e+00 3.00 -2.477873781e+00 -2.477873781e+00 3.02 -2.426301189e+00 -2.426301189e+00 3.04 -2.374452114e+00 -2.374452114e+00 3.06 -2.322550552e+00 -2.322550552e+00 3.08 -2.270776249e+00 -2.270776249e+00 3.10 -2.219275570e+00 -2.219275570e+00 3.12 -2.168168827e+00 -2.168168827e+00 3.14 -2.117548876e+00 -2.117548876e+00 3.16 -2.067482193e+00 -2.067482193e+00 3.18 -2.018015362e+00 -2.018015362e+00 3.20 -1.969180771e+00 -1.969180771e+00 3.22 -1.920985201e+00 -1.920985201e+00 3.24 -1.873414357e+00 -1.873414357e+00 3.26 -1.826461333e+00 -1.826461333e+00 3.28 -1.780128222e+00 -1.780128222e+00 3.30 -1.734424969e+00 -1.734424969e+00 3.32 -1.689367384e+00 -1.689367384e+00 3.34 -1.644974738e+00 -1.644974738e+00 3.36 -1.601267311e+00 -1.601267311e+00 3.38 -1.558264299e+00 -1.558264299e+00 3.40 -1.515982233e+00 -1.515982233e+00 3.42 -1.474434264e+00 -1.474434264e+00 3.44 -1.433629532e+00 -1.433629532e+00 3.46 -1.393573408e+00 -1.393573408e+00 3.48 -1.354267697e+00 -1.354267697e+00 3.50 -1.315710974e+00 -1.315710974e+00 3.52 -1.277898941e+00 -1.277898941e+00 3.54 -1.240824742e+00 -1.240824742e+00 3.56 -1.204479263e+00 -1.204479263e+00 3.58 -1.168851406e+00 -1.168851406e+00 3.60 -1.133928370e+00 -1.133928370e+00 3.62 -1.099695958e+00 -1.099695958e+00 3.64 -1.066138942e+00 -1.066138942e+00 3.66 -1.033241526e+00 -1.033241526e+00 3.68 -1.000987932e+00 -1.000987932e+00 3.70 -9.693631367e-01 -9.693631367e-01 3.72 -9.383537567e-01 -9.383537567e-01 3.74 -9.079490495e-01 -9.079490495e-01 3.76 -8.781419623e-01 -8.781419623e-01 3.78 -8.489301154e-01 -8.489301154e-01 3.80 -8.203165633e-01 -8.203165633e-01 3.82 -7.923101593e-01 -7.923101593e-01 3.84 -7.649253512e-01 -7.649253512e-01 3.86 -7.381812877e-01 -7.381812877e-01 3.88 -7.121002150e-01 -7.121002150e-01 3.90 -6.867052756e-01 -6.867052756e-01 3.92 -6.620178569e-01 -6.620178569e-01 3.94 -6.380554613e-01 -6.380554613e-01 3.96 -6.148288500e-01 -6.148288500e-01 3.98 -5.923409974e-01 -5.923409974e-01 4.00 -5.705862807e-01 -5.705862807e-01 4.02 -5.495506440e-01 -5.495506440e-01 4.04 -5.292124855e-01 -5.292124855e-01 4.06 -5.095440649e-01 -5.095440649e-01 4.08 -4.905132035e-01 -4.905132035e-01 4.10 -4.720848178e-01 -4.720848178e-01 4.12 -4.542237766e-01 -4.542237766e-01 4.14 -4.368947520e-01 -4.368947520e-01 4.16 -4.200648745e-01 -4.200648745e-01 4.18 -4.037045912e-01 -4.037045912e-01 4.20 -3.877886024e-01 -3.877886024e-01 4.22 -3.722965083e-01 -3.722965083e-01 4.24 -3.572131263e-01 -3.572131263e-01 4.26 -3.425284462e-01 -3.425284462e-01 4.28 -3.282372217e-01 -3.282372217e-01 4.30 -3.143382396e-01 -3.143382396e-01 4.32 -3.008333668e-01 -3.008333668e-01 4.34 -2.877265119e-01 -2.877265119e-01 4.36 -2.750226529e-01 -2.750226529e-01 4.38 -2.627270499e-01 -2.627270499e-01 4.40 -2.508447002e-01 -2.508447002e-01 4.42 -2.393800128e-01 -2.393800128e-01 4.44 -2.283366186e-01 -2.283366186e-01 4.46 -2.177172004e-01 -2.177172004e-01 4.48 -2.075232425e-01 -2.075232425e-01 4.50 -1.977546476e-01 -1.977546476e-01 4.52 -1.884092329e-01 -1.884092329e-01 4.54 -1.794821746e-01 -1.794821746e-01 4.56 -1.709655027e-01 -1.709655027e-01 4.58 -1.628477517e-01 -1.628477517e-01 4.60 -1.551138431e-01 -1.551138431e-01 4.62 -1.477452395e-01 -1.477452395e-01 4.64 -1.407203611e-01 -1.407203611e-01 4.66 -1.340152213e-01 -1.340152213e-01 4.68 -1.276042182e-01 -1.276042182e-01 4.70 -1.214610137e-01 -1.214610137e-01 4.72 -1.155594391e-01 -1.155594391e-01 4.74 -1.098743803e-01 -1.098743803e-01 4.76 -1.043826103e-01 -1.043826103e-01 4.78 -9.906354558e-02 -9.906354558e-02 4.80 -9.389970923e-02 -9.389970923e-02 4.82 -8.887811013e-02 -8.887811013e-02 4.84 -8.398934337e-02 -8.398934337e-02 4.86 -7.922873485e-02 -7.922873485e-02 4.88 -7.459611365e-02 -7.459611365e-02 4.90 -7.009557442e-02 -7.009557442e-02 4.92 -6.573496519e-02 -6.573496519e-02 4.94 -6.152510329e-02 -6.152510329e-02 4.96 -5.747875969e-02 -5.747875969e-02 4.98 -5.360947092e-02 -5.360947092e-02 5.00 -4.993029904e-02 -4.993029904e-02 5.02 -4.645266581e-02 -4.645266581e-02 5.04 -4.318536320e-02 -4.318536320e-02 5.06 -4.013383931e-02 -4.013383931e-02 5.08 -3.729931560e-02 -3.729931560e-02 5.10 -3.467940357e-02 -3.467940357e-02 5.12 -3.226913463e-02 -3.226913463e-02 5.14 -3.006025097e-02 -3.006025097e-02 5.16 -2.804188608e-02 -2.804188608e-02 5.18 -2.620122031e-02 -2.620122031e-02 5.20 -2.452438453e-02 -2.452438453e-02 5.22 -2.299710527e-02 -2.299710527e-02 5.24 -2.160514362e-02 -2.160514362e-02 5.26 -2.033472800e-02 -2.033472800e-02 5.28 -1.917286806e-02 -1.917286806e-02 5.30 -1.810756190e-02 -1.810756190e-02 5.32 -1.712791390e-02 -1.712791390e-02 5.34 -1.622418125e-02 -1.622418125e-02 5.36 -1.538774652e-02 -1.538774652e-02 5.38 -1.461109901e-02 -1.461109901e-02 5.40 -1.388776911e-02 -1.388776911e-02 5.42 -1.321221694e-02 -1.321221694e-02 5.44 -1.257972917e-02 -1.257972917e-02 5.46 -1.198631059e-02 -1.198631059e-02 5.48 -1.142857558e-02 -1.142857558e-02 5.50 -1.090364307e-02 -1.090364307e-02 5.52 -1.040903869e-02 -1.040903869e-02 5.54 -9.942606790e-03 -9.942606790e-03 5.56 -9.502434647e-03 -9.502434647e-03 5.58 -9.086790050e-03 -9.086790050e-03 5.60 -8.694072713e-03 -8.694072713e-03 5.62 -8.322778867e-03 -8.322778867e-03 5.64 -7.971477617e-03 -7.971477617e-03 5.66 -7.638797034e-03 -7.638797034e-03 5.68 -7.323417692e-03 -7.323417692e-03 5.70 -7.024071324e-03 -7.024071324e-03 5.72 -6.739542525e-03 -6.739542525e-03 5.74 -6.468671819e-03 -6.468671819e-03 5.76 -6.210358823e-03 -6.210358823e-03 5.78 -5.963564740e-03 -5.963564740e-03 5.80 -5.727313750e-03 -5.727313750e-03 5.82 -5.500693190e-03 -5.500693190e-03 5.84 -5.282852630e-03 -5.282852630e-03 5.86 -5.073002070e-03 -5.073002070e-03 5.88 -4.870409566e-03 -4.870409566e-03 5.90 -4.674398579e-03 -4.674398579e-03 5.92 -4.484345368e-03 -4.484345368e-03 5.94 -4.299676674e-03 -4.299676674e-03 5.96 -4.119867918e-03 -4.119867918e-03 5.98 -3.944442082e-03 -3.944442082e-03 6.00 -3.772969379e-03 -3.772969379e-03