# 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 = MgNi2Pt # 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 2.384961726e+02 2.384961726e+02 1.30 2.205958365e+02 2.205958365e+02 1.32 2.039892265e+02 2.039892265e+02 1.34 1.885846152e+02 1.885846152e+02 1.36 1.743012721e+02 1.743012721e+02 1.38 1.610598583e+02 1.610598583e+02 1.40 1.487783737e+02 1.487783737e+02 1.42 1.373745703e+02 1.373745703e+02 1.44 1.267711427e+02 1.267711427e+02 1.46 1.169003397e+02 1.169003397e+02 1.48 1.077059696e+02 1.077059696e+02 1.50 9.914201781e+01 9.914201781e+01 1.52 9.116868462e+01 9.116868462e+01 1.54 8.374807802e+01 8.374807802e+01 1.56 7.684174371e+01 7.684174371e+01 1.58 7.041058318e+01 7.041058318e+01 1.60 6.441610203e+01 6.441610203e+01 1.62 5.882187239e+01 5.882187239e+01 1.64 5.359736521e+01 5.359736521e+01 1.66 4.876511211e+01 4.876511211e+01 1.68 4.431381541e+01 4.431381541e+01 1.70 4.021505936e+01 4.021505936e+01 1.72 3.644414804e+01 3.644414804e+01 1.74 3.297856814e+01 3.297856814e+01 1.76 2.979680534e+01 2.979680534e+01 1.78 2.687785846e+01 2.687785846e+01 1.80 2.420137231e+01 2.420137231e+01 1.82 2.174796654e+01 2.174796654e+01 1.84 1.949941724e+01 1.949941724e+01 1.86 1.743864487e+01 1.743864487e+01 1.88 1.554961401e+01 1.554961401e+01 1.90 1.381728556e+01 1.381728556e+01 1.92 1.222768056e+01 1.222768056e+01 1.94 1.076803203e+01 1.076803203e+01 1.96 9.426925434e+00 9.426925434e+00 1.98 8.194348853e+00 8.194348853e+00 2.00 7.061612098e+00 7.061612098e+00 2.02 6.021151147e+00 6.021151147e+00 2.04 5.066280587e+00 5.066280587e+00 2.06 4.190962441e+00 4.190962441e+00 2.08 3.389632220e+00 3.389632220e+00 2.10 2.657087608e+00 2.657087608e+00 2.12 1.988430332e+00 1.988430332e+00 2.14 1.379043366e+00 1.379043366e+00 2.16 8.245897793e-01 8.245897793e-01 2.18 3.210159397e-01 3.210159397e-01 2.20 -1.354510950e-01 -1.354510950e-01 2.22 -5.483173837e-01 -5.483173837e-01 2.24 -9.208409164e-01 -9.208409164e-01 2.26 -1.256051961e+00 -1.256051961e+00 2.28 -1.556776853e+00 -1.556776853e+00 2.30 -1.825668179e+00 -1.825668179e+00 2.32 -2.065278410e+00 -2.065278410e+00 2.34 -2.279343140e+00 -2.279343140e+00 2.36 -2.470415832e+00 -2.470415832e+00 2.38 -2.640175049e+00 -2.640175049e+00 2.40 -2.790245321e+00 -2.790245321e+00 2.42 -2.922166414e+00 -2.922166414e+00 2.44 -3.037379328e+00 -3.037379328e+00 2.46 -3.137231705e+00 -3.137231705e+00 2.48 -3.222994977e+00 -3.222994977e+00 2.50 -3.295881080e+00 -3.295881080e+00 2.52 -3.357052791e+00 -3.357052791e+00 2.54 -3.407626291e+00 -3.407626291e+00 2.56 -3.448652325e+00 -3.448652325e+00 2.58 -3.481087961e+00 -3.481087961e+00 2.60 -3.505771182e+00 -3.505771182e+00 2.62 -3.523409920e+00 -3.523409920e+00 2.64 -3.534543887e+00 -3.534543887e+00 2.66 -3.539408464e+00 -3.539408464e+00 2.68 -3.538181231e+00 -3.538181231e+00 2.70 -3.531077741e+00 -3.531077741e+00 2.72 -3.518358069e+00 -3.518358069e+00 2.74 -3.500324769e+00 -3.500324769e+00 2.76 -3.477311777e+00 -3.477311777e+00 2.78 -3.449666585e+00 -3.449666585e+00 2.80 -3.417731451e+00 -3.417731451e+00 2.82 -3.381827714e+00 -3.381827714e+00 2.84 -3.342250606e+00 -3.342250606e+00 2.86 -3.299274024e+00 -3.299274024e+00 2.88 -3.253164405e+00 -3.253164405e+00 2.90 -3.204199238e+00 -3.204199238e+00 2.92 -3.152684782e+00 -3.152684782e+00 2.94 -3.098967603e+00 -3.098967603e+00 2.96 -3.043435777e+00 -3.043435777e+00 2.98 -2.986507944e+00 -2.986507944e+00 3.00 -2.928611633e+00 -2.928611633e+00 3.02 -2.870155618e+00 -2.870155618e+00 3.04 -2.811502765e+00 -2.811502765e+00 3.06 -2.752961208e+00 -2.752961208e+00 3.08 -2.694855874e+00 -2.694855874e+00 3.10 -2.637456650e+00 -2.637456650e+00 3.12 -2.580926661e+00 -2.580926661e+00 3.14 -2.525350133e+00 -2.525350133e+00 3.16 -2.470757867e+00 -2.470757867e+00 3.18 -2.417149946e+00 -2.417149946e+00 3.20 -2.364511430e+00 -2.364511430e+00 3.22 -2.312822759e+00 -2.312822759e+00 3.24 -2.262068727e+00 -2.262068727e+00 3.26 -2.212250433e+00 -2.212250433e+00 3.28 -2.163347324e+00 -2.163347324e+00 3.30 -2.115341639e+00 -2.115341639e+00 3.32 -2.068221553e+00 -2.068221553e+00 3.34 -2.021978809e+00 -2.021978809e+00 3.36 -1.976606312e+00 -1.976606312e+00 3.38 -1.932096001e+00 -1.932096001e+00 3.40 -1.888437191e+00 -1.888437191e+00 3.42 -1.845614047e+00 -1.845614047e+00 3.44 -1.803589656e+00 -1.803589656e+00 3.46 -1.762315636e+00 -1.762315636e+00 3.48 -1.721745175e+00 -1.721745175e+00 3.50 -1.681833047e+00 -1.681833047e+00 3.52 -1.642535763e+00 -1.642535763e+00 3.54 -1.603811932e+00 -1.603811932e+00 3.56 -1.565622712e+00 -1.565622712e+00 3.58 -1.527932296e+00 -1.527932296e+00 3.60 -1.490708334e+00 -1.490708334e+00 3.62 -1.453922250e+00 -1.453922250e+00 3.64 -1.417549451e+00 -1.417549451e+00 3.66 -1.381569456e+00 -1.381569456e+00 3.68 -1.345966035e+00 -1.345966035e+00 3.70 -1.310727432e+00 -1.310727432e+00 3.72 -1.275846768e+00 -1.275846768e+00 3.74 -1.241322640e+00 -1.241322640e+00 3.76 -1.207159860e+00 -1.207159860e+00 3.78 -1.173370217e+00 -1.173370217e+00 3.80 -1.139972997e+00 -1.139972997e+00 3.82 -1.106995014e+00 -1.106995014e+00 3.84 -1.074469840e+00 -1.074469840e+00 3.86 -1.042436083e+00 -1.042436083e+00 3.88 -1.010934679e+00 -1.010934679e+00 3.90 -9.800054191e-01 -9.800054191e-01 3.92 -9.496830986e-01 -9.496830986e-01 3.94 -9.199941638e-01 -9.199941638e-01 3.96 -8.909536426e-01 -8.909536426e-01 3.98 -8.625639328e-01 -8.625639328e-01 4.00 -8.348147954e-01 -8.348147954e-01 4.02 -8.076848841e-01 -8.076848841e-01 4.04 -7.811444830e-01 -7.811444830e-01 4.06 -7.551590442e-01 -7.551590442e-01 4.08 -7.296930600e-01 -7.296930600e-01 4.10 -7.047135444e-01 -7.047135444e-01 4.12 -6.801944401e-01 -6.801944401e-01 4.14 -6.561172040e-01 -6.561172040e-01 4.16 -6.324734722e-01 -6.324734722e-01 4.18 -6.092649107e-01 -6.092649107e-01 4.20 -5.865022520e-01 -5.865022520e-01 4.22 -5.642033213e-01 -5.642033213e-01 4.24 -5.423903460e-01 -5.423903460e-01 4.26 -5.210869483e-01 -5.210869483e-01 4.28 -5.003152664e-01 -5.003152664e-01 4.30 -4.800936122e-01 -4.800936122e-01 4.32 -4.604349593e-01 -4.604349593e-01 4.34 -4.413463842e-01 -4.413463842e-01 4.36 -4.228293998e-01 -4.228293998e-01 4.38 -4.048809643e-01 -4.048809643e-01 4.40 -3.874948478e-01 -3.874948478e-01 4.42 -3.706630128e-01 -3.706630128e-01 4.44 -3.543767065e-01 -3.543767065e-01 4.46 -3.386270593e-01 -3.386270593e-01 4.48 -3.234051116e-01 -3.234051116e-01 4.50 -3.087013209e-01 -3.087013209e-01 4.52 -2.945047154e-01 -2.945047154e-01 4.54 -2.808019271e-01 -2.808019271e-01 4.56 -2.675763576e-01 -2.675763576e-01 4.58 -2.548076959e-01 -2.548076959e-01 4.60 -2.424719362e-01 -2.424719362e-01 4.62 -2.305419492e-01 -2.305419492e-01 4.64 -2.189885715e-01 -2.189885715e-01 4.66 -2.077821052e-01 -2.077821052e-01 4.68 -1.968940582e-01 -1.968940582e-01 4.70 -1.862989354e-01 -1.862989354e-01 4.72 -1.759759597e-01 -1.759759597e-01 4.74 -1.659104663e-01 -1.659104663e-01 4.76 -1.560939073e-01 -1.560939073e-01 4.78 -1.465268100e-01 -1.465268100e-01 4.80 -1.372174182e-01 -1.372174182e-01 4.82 -1.281810509e-01 -1.281810509e-01 4.84 -1.194377526e-01 -1.194377526e-01 4.86 -1.110117048e-01 -1.110117048e-01 4.88 -1.029290759e-01 -1.029290759e-01 4.90 -9.521595826e-02 -9.521595826e-02 4.92 -8.789634933e-02 -8.789634933e-02 4.94 -8.099043753e-02 -8.099043753e-02 4.96 -7.451318329e-02 -7.451318329e-02 4.98 -6.847315652e-02 -6.847315652e-02 5.00 -6.287234733e-02 -6.287234733e-02 5.02 -5.770624877e-02 -5.770624877e-02 5.04 -5.296434421e-02 -5.296434421e-02 5.06 -4.863090345e-02 -4.863090345e-02 5.08 -4.468597082e-02 -4.468597082e-02 5.10 -4.110643458e-02 -4.110643458e-02 5.12 -3.786708379e-02 -3.786708379e-02 5.14 -3.494158244e-02 -3.494158244e-02 5.16 -3.230331516e-02 -3.230331516e-02 5.18 -2.992608172e-02 -2.992608172e-02 5.20 -2.778463528e-02 -2.778463528e-02 5.22 -2.585507304e-02 -2.585507304e-02 5.24 -2.411509447e-02 -2.411509447e-02 5.26 -2.254414997e-02 -2.254414997e-02 5.28 -2.112350056e-02 -2.112350056e-02 5.30 -1.983620910e-02 -1.983620910e-02 5.32 -1.866708188e-02 -1.866708188e-02 5.34 -1.760257591e-02 -1.760257591e-02 5.36 -1.663068467e-02 -1.663068467e-02 5.38 -1.574081191e-02 -1.574081191e-02 5.40 -1.492364079e-02 -1.492364079e-02 5.42 -1.417100369e-02 -1.417100369e-02 5.44 -1.347572887e-02 -1.347572887e-02 5.46 -1.283152741e-02 -1.283152741e-02 5.48 -1.223297508e-02 -1.223297508e-02 5.50 -1.167533352e-02 -1.167533352e-02 5.52 -1.115445665e-02 -1.115445665e-02 5.54 -1.066670951e-02 -1.066670951e-02 5.56 -1.020889642e-02 -1.020889642e-02 5.58 -9.778198251e-03 -9.778198251e-03 5.60 -9.372118283e-03 -9.372118283e-03 5.62 -8.988436128e-03 -8.988436128e-03 5.64 -8.625168799e-03 -8.625168799e-03 5.66 -8.280538053e-03 -8.280538053e-03 5.68 -7.952943062e-03 -7.952943062e-03 5.70 -7.640937506e-03 -7.640937506e-03 5.72 -7.343210286e-03 -7.343210286e-03 5.74 -7.058569147e-03 -7.058569147e-03 5.76 -6.785926650e-03 -6.785926650e-03 5.78 -6.524288065e-03 -6.524288065e-03 5.80 -6.272740857e-03 -6.272740857e-03 5.82 -6.030445547e-03 -6.030445547e-03 5.84 -5.796627800e-03 -5.796627800e-03 5.86 -5.570571648e-03 -5.570571648e-03 5.88 -5.351613807e-03 -5.351613807e-03 5.90 -5.139139054e-03 -5.139139054e-03 5.92 -4.932576676e-03 -4.932576676e-03 5.94 -4.731397976e-03 -4.731397976e-03 5.96 -4.535114857e-03 -4.535114857e-03 5.98 -4.343279479e-03 -4.343279479e-03 6.00 -4.155484961e-03 -4.155484961e-03