# 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 = NiPtTa2 # 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 3.444246990e+02 3.444246990e+02 1.30 3.204205417e+02 3.204205417e+02 1.32 2.981377983e+02 2.981377983e+02 1.34 2.774548784e+02 2.774548784e+02 1.36 2.582502855e+02 2.582502855e+02 1.38 2.404017000e+02 2.404017000e+02 1.40 2.237892008e+02 2.237892008e+02 1.42 2.083004862e+02 2.083004862e+02 1.44 1.938354764e+02 1.938354764e+02 1.46 1.803088039e+02 1.803088039e+02 1.48 1.676499358e+02 1.676499358e+02 1.50 1.558011338e+02 1.558011338e+02 1.52 1.447136943e+02 1.447136943e+02 1.54 1.343434954e+02 1.343434954e+02 1.56 1.246473302e+02 1.246473302e+02 1.58 1.155810663e+02 1.155810663e+02 1.60 1.070997021e+02 1.070997021e+02 1.62 9.915868573e+01 9.915868573e+01 1.64 9.171565632e+01 9.171565632e+01 1.66 8.473197513e+01 8.473197513e+01 1.68 7.817376958e+01 7.817376958e+01 1.70 7.201237602e+01 7.201237602e+01 1.72 6.622397078e+01 6.622397078e+01 1.74 6.078820180e+01 6.078820180e+01 1.76 5.568611918e+01 5.568611918e+01 1.78 5.089831806e+01 5.089831806e+01 1.80 4.640416893e+01 4.640416893e+01 1.82 4.218222896e+01 4.218222896e+01 1.84 3.821122666e+01 3.821122666e+01 1.86 3.447540742e+01 3.447540742e+01 1.88 3.096153847e+01 3.096153847e+01 1.90 2.765264196e+01 2.765264196e+01 1.92 2.454258351e+01 2.454258351e+01 1.94 2.166716142e+01 2.166716142e+01 1.96 1.901973644e+01 1.901973644e+01 1.98 1.658706153e+01 1.658706153e+01 2.00 1.435681794e+01 1.435681794e+01 2.02 1.231687353e+01 1.231687353e+01 2.04 1.045481574e+01 1.045481574e+01 2.06 8.757850219e+00 8.757850219e+00 2.08 7.213014988e+00 7.213014988e+00 2.10 5.807557249e+00 5.807557249e+00 2.12 4.529309128e+00 4.529309128e+00 2.14 3.366962009e+00 3.366962009e+00 2.16 2.310216350e+00 2.310216350e+00 2.18 1.349827796e+00 1.349827796e+00 2.20 4.775764886e-01 4.775764886e-01 2.22 -3.138218220e-01 -3.138218220e-01 2.24 -1.030848050e+00 -1.030848050e+00 2.26 -1.679336863e+00 -1.679336863e+00 2.28 -2.264635401e+00 -2.264635401e+00 2.30 -2.791740222e+00 -2.791740222e+00 2.32 -3.265394486e+00 -3.265394486e+00 2.34 -3.690135960e+00 -3.690135960e+00 2.36 -4.070296640e+00 -4.070296640e+00 2.38 -4.409965296e+00 -4.409965296e+00 2.40 -4.712933210e+00 -4.712933210e+00 2.42 -4.982646452e+00 -4.982646452e+00 2.44 -5.222183083e+00 -5.222183083e+00 2.46 -5.434263194e+00 -5.434263194e+00 2.48 -5.621288660e+00 -5.621288660e+00 2.50 -5.785401031e+00 -5.785401031e+00 2.52 -5.928541131e+00 -5.928541131e+00 2.54 -6.052466936e+00 -6.052466936e+00 2.56 -6.158635807e+00 -6.158635807e+00 2.58 -6.248721253e+00 -6.248721253e+00 2.60 -6.324282527e+00 -6.324282527e+00 2.62 -6.386668705e+00 -6.386668705e+00 2.64 -6.437031141e+00 -6.437031141e+00 2.66 -6.476349842e+00 -6.476349842e+00 2.68 -6.505467767e+00 -6.505467767e+00 2.70 -6.525120515e+00 -6.525120515e+00 2.72 -6.536239917e+00 -6.536239917e+00 2.74 -6.539823870e+00 -6.539823870e+00 2.76 -6.535875565e+00 -6.535875565e+00 2.78 -6.524431907e+00 -6.524431907e+00 2.80 -6.505571939e+00 -6.505571939e+00 2.82 -6.479401262e+00 -6.479401262e+00 2.84 -6.446044689e+00 -6.446044689e+00 2.86 -6.405646607e+00 -6.405646607e+00 2.88 -6.358377713e+00 -6.358377713e+00 2.90 -6.304442330e+00 -6.304442330e+00 2.92 -6.244088475e+00 -6.244088475e+00 2.94 -6.177613670e+00 -6.177613670e+00 2.96 -6.105363503e+00 -6.105363503e+00 2.98 -6.027722433e+00 -6.027722433e+00 3.00 -5.945097247e+00 -5.945097247e+00 3.02 -5.857895865e+00 -5.857895865e+00 3.04 -5.766505832e+00 -5.766505832e+00 3.06 -5.671271772e+00 -5.671271772e+00 3.08 -5.572433223e+00 -5.572433223e+00 3.10 -5.470159474e+00 -5.470159474e+00 3.12 -5.364598155e+00 -5.364598155e+00 3.14 -5.255888487e+00 -5.255888487e+00 3.16 -5.144177421e+00 -5.144177421e+00 3.18 -5.029636705e+00 -5.029636705e+00 3.20 -4.912478598e+00 -4.912478598e+00 3.22 -4.792968414e+00 -4.792968414e+00 3.24 -4.671432409e+00 -4.671432409e+00 3.26 -4.548259700e+00 -4.548259700e+00 3.28 -4.423897361e+00 -4.423897361e+00 3.30 -4.298838379e+00 -4.298838379e+00 3.32 -4.173603036e+00 -4.173603036e+00 3.34 -4.048715245e+00 -4.048715245e+00 3.36 -3.924676255e+00 -3.924676255e+00 3.38 -3.801938648e+00 -3.801938648e+00 3.40 -3.680883646e+00 -3.680883646e+00 3.42 -3.561804155e+00 -3.561804155e+00 3.44 -3.444895122e+00 -3.444895122e+00 3.46 -3.330251649e+00 -3.330251649e+00 3.48 -3.217874260e+00 -3.217874260e+00 3.50 -3.107680034e+00 -3.107680034e+00 3.52 -2.999517856e+00 -2.999517856e+00 3.54 -2.893186063e+00 -2.893186063e+00 3.56 -2.788463343e+00 -2.788463343e+00 3.58 -2.685215848e+00 -2.685215848e+00 3.60 -2.583359703e+00 -2.583359703e+00 3.62 -2.482826492e+00 -2.482826492e+00 3.64 -2.383577147e+00 -2.383577147e+00 3.66 -2.285613039e+00 -2.285613039e+00 3.68 -2.188983667e+00 -2.188983667e+00 3.70 -2.093790683e+00 -2.093790683e+00 3.72 -2.000188004e+00 -2.000188004e+00 3.74 -1.908377852e+00 -1.908377852e+00 3.76 -1.818602728e+00 -1.818602728e+00 3.78 -1.731133636e+00 -1.731133636e+00 3.80 -1.646255232e+00 -1.646255232e+00 3.82 -1.564249019e+00 -1.564249019e+00 3.84 -1.485375994e+00 -1.485375994e+00 3.86 -1.409860412e+00 -1.409860412e+00 3.88 -1.337876226e+00 -1.337876226e+00 3.90 -1.269537525e+00 -1.269537525e+00 3.92 -1.204893747e+00 -1.204893747e+00 3.94 -1.143929845e+00 -1.143929845e+00 3.96 -1.086570936e+00 -1.086570936e+00 3.98 -1.032690522e+00 -1.032690522e+00 4.00 -9.821210441e-01 -9.821210441e-01 4.02 -9.346655383e-01 -9.346655383e-01 4.04 -8.901092670e-01 -8.901092670e-01 4.06 -8.482304666e-01 -8.482304666e-01 4.08 -8.088096262e-01 -8.088096262e-01 4.10 -7.716369539e-01 -7.716369539e-01 4.12 -7.365179070e-01 -7.365179070e-01 4.14 -7.032767053e-01 -7.032767053e-01 4.16 -6.717580021e-01 -6.717580021e-01 4.18 -6.418268163e-01 -6.418268163e-01 4.20 -6.133670186e-01 -6.133670186e-01 4.22 -5.862787246e-01 -5.862787246e-01 4.24 -5.604750325e-01 -5.604750325e-01 4.26 -5.358785831e-01 -5.358785831e-01 4.28 -5.124183976e-01 -5.124183976e-01 4.30 -4.900273613e-01 -4.900273613e-01 4.32 -4.686405756e-01 -4.686405756e-01 4.34 -4.481946276e-01 -4.481946276e-01 4.36 -4.286276565e-01 -4.286276565e-01 4.38 -4.098799993e-01 -4.098799993e-01 4.40 -3.918950754e-01 -3.918950754e-01 4.42 -3.746202127e-01 -3.746202127e-01 4.44 -3.580072298e-01 -3.580072298e-01 4.46 -3.420130937e-01 -3.420130937e-01 4.48 -3.265977975e-01 -3.265977975e-01 4.50 -3.117244677e-01 -3.117244677e-01 4.52 -2.973585443e-01 -2.973585443e-01 4.54 -2.834664884e-01 -2.834664884e-01 4.56 -2.700147277e-01 -2.700147277e-01 4.58 -2.569689319e-01 -2.569689319e-01 4.60 -2.442939113e-01 -2.442939113e-01 4.62 -2.319545342e-01 -2.319545342e-01 4.64 -2.199162653e-01 -2.199162653e-01 4.66 -2.081466037e-01 -2.081466037e-01 4.68 -1.966167934e-01 -1.966167934e-01 4.70 -1.853035922e-01 -1.853035922e-01 4.72 -1.741909142e-01 -1.741909142e-01 4.74 -1.632711702e-01 -1.632711702e-01 4.76 -1.525461501e-01 -1.525461501e-01 4.78 -1.420273220e-01 -1.420273220e-01 4.80 -1.317354679e-01 -1.317354679e-01 4.82 -1.216996352e-01 -1.216996352e-01 4.84 -1.119554376e-01 -1.119554376e-01 4.86 -1.025428293e-01 -1.025428293e-01 4.88 -9.350351954e-02 -9.350351954e-02 4.90 -8.487825474e-02 -8.487825474e-02 4.92 -7.670421035e-02 -7.670421035e-02 4.94 -6.901272060e-02 -6.901272060e-02 4.96 -6.182753044e-02 -6.182753044e-02 4.98 -5.516368421e-02 -5.516368421e-02 5.00 -4.902708810e-02 -4.902708810e-02 5.02 -4.341469734e-02 -4.341469734e-02 5.04 -3.831523294e-02 -3.831523294e-02 5.06 -3.371030342e-02 -3.371030342e-02 5.08 -2.957575939e-02 -2.957575939e-02 5.10 -2.588314411e-02 -2.588314411e-02 5.12 -2.260109574e-02 -2.260109574e-02 5.14 -1.969665061e-02 -1.969665061e-02 5.16 -1.713633268e-02 -1.713633268e-02 5.18 -1.488674047e-02 -1.488674047e-02 5.20 -1.291627808e-02 -1.291627808e-02 5.22 -1.119507334e-02 -1.119507334e-02 5.24 -9.695154560e-03 -9.695154560e-03 5.26 -8.390703235e-03 -8.390703235e-03 5.28 -7.258169299e-03 -7.258169299e-03 5.30 -6.276282809e-03 -6.276282809e-03 5.32 -5.425991164e-03 -5.425991164e-03 5.34 -4.690345855e-03 -4.690345855e-03 5.36 -4.054357769e-03 -4.054357769e-03 5.38 -3.504835582e-03 -3.504835582e-03 5.40 -3.030217990e-03 -3.030217990e-03 5.42 -2.620407399e-03 -2.620407399e-03 5.44 -2.266610220e-03 -2.266610220e-03 5.46 -1.961187036e-03 -1.961187036e-03 5.48 -1.697514466e-03 -1.697514466e-03 5.50 -1.469859559e-03 -1.469859559e-03 5.52 -1.273266800e-03 -1.273266800e-03 5.54 -1.103457351e-03 -1.103457351e-03 5.56 -9.567398401e-04 -9.567398401e-04 5.58 -8.299318237e-04 -8.299318237e-04 5.60 -7.202909812e-04 -7.202909812e-04 5.62 -6.254550712e-04 -6.254550712e-04 5.64 -5.433897031e-04 -5.433897031e-04 5.66 -4.723430296e-04 -4.723430296e-04 5.68 -4.108065281e-04 -4.108065281e-04 5.70 -3.574811166e-04 -3.574811166e-04 5.72 -3.112479191e-04 -3.112479191e-04 5.74 -2.711430741e-04 -2.711430741e-04 5.76 -2.363360466e-04 -2.363360466e-04 5.78 -2.061109703e-04 -2.061109703e-04 5.80 -1.798506061e-04 -1.798506061e-04 5.82 -1.570225542e-04 -1.570225542e-04 5.84 -1.371674080e-04 -1.371674080e-04 5.86 -1.198885764e-04 -1.198885764e-04 5.88 -1.048435413e-04 -1.048435413e-04 5.90 -9.173634619e-05 -9.173634619e-05 5.92 -8.031114382e-05 -8.031114382e-05 5.94 -7.034665032e-05 -7.034665032e-05 5.96 -6.165137928e-05 -6.165137928e-05 5.98 -5.405954401e-05 -5.405954401e-05 6.00 -4.742753355e-05 -4.742753355e-05