# 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 = CuMo2Pt # 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 2.805595678e+02 2.805595678e+02 1.30 2.604098876e+02 2.604098876e+02 1.32 2.416765912e+02 2.416765912e+02 1.34 2.242538123e+02 2.242538123e+02 1.36 2.080511028e+02 2.080511028e+02 1.38 1.929858578e+02 1.929858578e+02 1.40 1.789774163e+02 1.789774163e+02 1.42 1.659451141e+02 1.659451141e+02 1.44 1.538099527e+02 1.538099527e+02 1.46 1.424979559e+02 1.424979559e+02 1.48 1.319428462e+02 1.319428462e+02 1.50 1.220865699e+02 1.220865699e+02 1.52 1.128778704e+02 1.128778704e+02 1.54 1.042701867e+02 1.042701867e+02 1.56 9.622005972e+01 9.622005972e+01 1.58 8.868637833e+01 8.868637833e+01 1.60 8.163015889e+01 8.163015889e+01 1.62 7.501458080e+01 7.501458080e+01 1.64 6.880529114e+01 6.880529114e+01 1.66 6.297107648e+01 6.297107648e+01 1.68 5.748479711e+01 5.748479711e+01 1.70 5.232418242e+01 5.232418242e+01 1.72 4.747192406e+01 4.747192406e+01 1.74 4.291471867e+01 4.291471867e+01 1.76 3.864471255e+01 3.864471255e+01 1.78 3.465488842e+01 3.465488842e+01 1.80 3.098746825e+01 3.098746825e+01 1.82 2.764718085e+01 2.764718085e+01 1.84 2.460786353e+01 2.460786353e+01 1.86 2.184356272e+01 2.184356272e+01 1.88 1.932901560e+01 1.932901560e+01 1.90 1.704016384e+01 1.704016384e+01 1.92 1.495465999e+01 1.495465999e+01 1.94 1.305226925e+01 1.305226925e+01 1.96 1.131507334e+01 1.131507334e+01 1.98 9.727446215e+00 9.727446215e+00 2.00 8.275832759e+00 8.275832759e+00 2.02 6.948401723e+00 6.948401723e+00 2.04 5.734660989e+00 5.734660989e+00 2.06 4.625114265e+00 4.625114265e+00 2.08 3.611007537e+00 3.611007537e+00 2.10 2.684179562e+00 2.684179562e+00 2.12 1.837007011e+00 1.837007011e+00 2.14 1.062421658e+00 1.062421658e+00 2.16 3.539678006e-01 3.539678006e-01 2.18 -2.941385009e-01 -2.941385009e-01 2.20 -8.869844910e-01 -8.869844910e-01 2.22 -1.428990380e+00 -1.428990380e+00 2.24 -1.923990573e+00 -1.923990573e+00 2.26 -2.375345073e+00 -2.375345073e+00 2.28 -2.786054025e+00 -2.786054025e+00 2.30 -3.158853856e+00 -3.158853856e+00 2.32 -3.496283978e+00 -3.496283978e+00 2.34 -3.800723442e+00 -3.800723442e+00 2.36 -4.074405611e+00 -4.074405611e+00 2.38 -4.319423260e+00 -4.319423260e+00 2.40 -4.537735157e+00 -4.537735157e+00 2.42 -4.731178937e+00 -4.731178937e+00 2.44 -4.901488814e+00 -4.901488814e+00 2.46 -5.050314438e+00 -5.050314438e+00 2.48 -5.179238003e+00 -5.179238003e+00 2.50 -5.289786884e+00 -5.289786884e+00 2.52 -5.383354243e+00 -5.383354243e+00 2.54 -5.461155332e+00 -5.461155332e+00 2.56 -5.525067759e+00 -5.525067759e+00 2.58 -5.577461459e+00 -5.577461459e+00 2.60 -5.619334955e+00 -5.619334955e+00 2.62 -5.651411656e+00 -5.651411656e+00 2.64 -5.674256696e+00 -5.674256696e+00 2.66 -5.688313412e+00 -5.688313412e+00 2.68 -5.693930027e+00 -5.693930027e+00 2.70 -5.691142401e+00 -5.691142401e+00 2.72 -5.679838333e+00 -5.679838333e+00 2.74 -5.659992910e+00 -5.659992910e+00 2.76 -5.631656815e+00 -5.631656815e+00 2.78 -5.594938199e+00 -5.594938199e+00 2.80 -5.549989367e+00 -5.549989367e+00 2.82 -5.497001775e+00 -5.497001775e+00 2.84 -5.436210520e+00 -5.436210520e+00 2.86 -5.367907257e+00 -5.367907257e+00 2.88 -5.292602540e+00 -5.292602540e+00 2.90 -5.210763940e+00 -5.210763940e+00 2.92 -5.122793172e+00 -5.122793172e+00 2.94 -5.029235650e+00 -5.029235650e+00 2.96 -4.930765603e+00 -4.930765603e+00 2.98 -4.828155502e+00 -4.828155502e+00 3.00 -4.722230838e+00 -4.722230838e+00 3.02 -4.613815451e+00 -4.613815451e+00 3.04 -4.503675661e+00 -4.503675661e+00 3.06 -4.392483378e+00 -4.392483378e+00 3.08 -4.280787547e+00 -4.280787547e+00 3.10 -4.168980502e+00 -4.168980502e+00 3.12 -4.057298120e+00 -4.057298120e+00 3.14 -3.945835611e+00 -3.945835611e+00 3.16 -3.834572332e+00 -3.834572332e+00 3.18 -3.723401306e+00 -3.723401306e+00 3.20 -3.612160024e+00 -3.612160024e+00 3.22 -3.500660385e+00 -3.500660385e+00 3.24 -3.388716570e+00 -3.388716570e+00 3.26 -3.276170322e+00 -3.276170322e+00 3.28 -3.162913283e+00 -3.162913283e+00 3.30 -3.048946530e+00 -3.048946530e+00 3.32 -2.934601083e+00 -2.934601083e+00 3.34 -2.820371397e+00 -2.820371397e+00 3.36 -2.706810445e+00 -2.706810445e+00 3.38 -2.594516937e+00 -2.594516937e+00 3.40 -2.484114549e+00 -2.484114549e+00 3.42 -2.376225266e+00 -2.376225266e+00 3.44 -2.271439926e+00 -2.271439926e+00 3.46 -2.170289462e+00 -2.170289462e+00 3.48 -2.073220229e+00 -2.073220229e+00 3.50 -1.980576103e+00 -1.980576103e+00 3.52 -1.892588933e+00 -1.892588933e+00 3.54 -1.809377639e+00 -1.809377639e+00 3.56 -1.730955063e+00 -1.730955063e+00 3.58 -1.657240811e+00 -1.657240811e+00 3.60 -1.588077880e+00 -1.588077880e+00 3.62 -1.523250888e+00 -1.523250888e+00 3.64 -1.462504040e+00 -1.462504040e+00 3.66 -1.405557435e+00 -1.405557435e+00 3.68 -1.352120919e+00 -1.352120919e+00 3.70 -1.301905102e+00 -1.301905102e+00 3.72 -1.254629564e+00 -1.254629564e+00 3.74 -1.210028486e+00 -1.210028486e+00 3.76 -1.167854087e+00 -1.167854087e+00 3.78 -1.127878272e+00 -1.127878272e+00 3.80 -1.089892912e+00 -1.089892912e+00 3.82 -1.053709125e+00 -1.053709125e+00 3.84 -1.019155915e+00 -1.019155915e+00 3.86 -9.860784505e-01 -9.860784505e-01 3.88 -9.543362361e-01 -9.543362361e-01 3.90 -9.238013787e-01 -9.238013787e-01 3.92 -8.943570820e-01 -8.943570820e-01 3.94 -8.658964702e-01 -8.658964702e-01 3.96 -8.383217600e-01 -8.383217600e-01 3.98 -8.115438083e-01 -8.115438083e-01 4.00 -7.854819869e-01 -7.854819869e-01 4.02 -7.600643471e-01 -7.600643471e-01 4.04 -7.352280057e-01 -7.352280057e-01 4.06 -7.109196619e-01 -7.109196619e-01 4.08 -6.870961655e-01 -6.870961655e-01 4.10 -6.637249587e-01 -6.637249587e-01 4.12 -6.407842817e-01 -6.407842817e-01 4.14 -6.182633469e-01 -6.182633469e-01 4.16 -5.961612790e-01 -5.961612790e-01 4.18 -5.744845859e-01 -5.744845859e-01 4.20 -5.532468774e-01 -5.532468774e-01 4.22 -5.324664170e-01 -5.324664170e-01 4.24 -5.121634988e-01 -5.121634988e-01 4.26 -4.923579732e-01 -4.923579732e-01 4.28 -4.730671807e-01 -4.730671807e-01 4.30 -4.543044992e-01 -4.543044992e-01 4.32 -4.360786037e-01 -4.360786037e-01 4.34 -4.183933994e-01 -4.183933994e-01 4.36 -4.012484712e-01 -4.012484712e-01 4.38 -3.846398115e-01 -3.846398115e-01 4.40 -3.685605694e-01 -3.685605694e-01 4.42 -3.530016052e-01 -3.530016052e-01 4.44 -3.379517200e-01 -3.379517200e-01 4.46 -3.233975350e-01 -3.233975350e-01 4.48 -3.093230965e-01 -3.093230965e-01 4.50 -2.957093594e-01 -2.957093594e-01 4.52 -2.825337177e-01 -2.825337177e-01 4.54 -2.697695997e-01 -2.697695997e-01 4.56 -2.573871143e-01 -2.573871143e-01 4.58 -2.453533266e-01 -2.453533266e-01 4.60 -2.336331535e-01 -2.336331535e-01 4.62 -2.221907806e-01 -2.221907806e-01 4.64 -2.109913368e-01 -2.109913368e-01 4.66 -2.000027128e-01 -2.000027128e-01 4.68 -1.891973977e-01 -1.891973977e-01 4.70 -1.785542025e-01 -1.785542025e-01 4.72 -1.680597463e-01 -1.680597463e-01 4.74 -1.577095827e-01 -1.577095827e-01 4.76 -1.475088577e-01 -1.475088577e-01 4.78 -1.374724073e-01 -1.374724073e-01 4.80 -1.276242359e-01 -1.276242359e-01 4.82 -1.179963599e-01 -1.179963599e-01 4.84 -1.086270542e-01 -1.086270542e-01 4.86 -9.955861498e-02 -9.955861498e-02 4.88 -9.083479795e-02 -9.083479795e-02 4.90 -8.249814659e-02 -8.249814659e-02 4.92 -7.458744116e-02 -7.458744116e-02 4.94 -6.713548734e-02 -6.713548734e-02 4.96 -6.016742039e-02 -6.016742039e-02 4.98 -5.369963490e-02 -5.369963490e-02 5.00 -4.773937086e-02 -4.773937086e-02 5.02 -4.228492403e-02 -4.228492403e-02 5.04 -3.732637381e-02 -3.732637381e-02 5.06 -3.284668034e-02 -3.284668034e-02 5.08 -2.882302040e-02 -2.882302040e-02 5.10 -2.522820956e-02 -2.522820956e-02 5.12 -2.203212736e-02 -2.203212736e-02 5.14 -1.920300535e-02 -1.920300535e-02 5.16 -1.670849618e-02 -1.670849618e-02 5.18 -1.451622252e-02 -1.451622252e-02 5.20 -1.259559491e-02 -1.259559491e-02 5.22 -1.091765997e-02 -1.091765997e-02 5.24 -9.455264838e-03 -9.455264838e-03 5.26 -8.183318696e-03 -8.183318696e-03 5.28 -7.078916109e-03 -7.078916109e-03 5.30 -6.121356301e-03 -6.121356301e-03 5.32 -5.292087552e-03 -5.292087552e-03 5.34 -4.574600755e-03 -4.574600755e-03 5.36 -3.954291122e-03 -3.954291122e-03 5.38 -3.418302574e-03 -3.418302574e-03 5.40 -2.955365536e-03 -2.955365536e-03 5.42 -2.555635724e-03 -2.555635724e-03 5.44 -2.210539096e-03 -2.210539096e-03 5.46 -1.912626210e-03 -1.912626210e-03 5.48 -1.655437853e-03 -1.655437853e-03 5.50 -1.433382779e-03 -1.433382779e-03 5.52 -1.241627681e-03 -1.241627681e-03 5.54 -1.075999036e-03 -1.075999036e-03 5.56 -9.328961818e-04 -9.328961818e-04 5.58 -8.092147713e-04 -8.092147713e-04 5.60 -7.022797069e-04 -7.022797069e-04 5.62 -6.097866011e-04 -6.097866011e-04 5.64 -5.297508528e-04 -5.297508528e-04 5.66 -4.604634663e-04 -4.604634663e-04 5.68 -4.004528053e-04 -4.004528053e-04 5.70 -3.484515458e-04 -3.484515458e-04 5.72 -3.033681619e-04 -3.033681619e-04 5.74 -2.642623546e-04 -2.642623546e-04 5.76 -2.303238952e-04 -2.303238952e-04 5.78 -2.008544256e-04 -2.008544256e-04 5.80 -1.752518087e-04 -1.752518087e-04 5.82 -1.529966776e-04 -1.529966776e-04 5.84 -1.336408790e-04 -1.336408790e-04 5.86 -1.167975435e-04 -1.167975435e-04 5.88 -1.021325559e-04 -1.021325559e-04 5.90 -8.935722753e-05 -8.935722753e-05 5.92 -7.822199987e-05 -7.822199987e-05 5.94 -6.851103461e-05 -6.851103461e-05 5.96 -6.003756323e-05 -6.003756323e-05 5.98 -5.263988903e-05 -5.263988903e-05 6.00 -4.617794884e-05 -4.617794884e-05