# 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 = Mg2MoTa # 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 4.415088569e+02 4.415088569e+02 1.30 4.094855422e+02 4.094855422e+02 1.32 3.798478480e+02 3.798478480e+02 1.34 3.524019929e+02 3.524019929e+02 1.36 3.269714644e+02 3.269714644e+02 1.38 3.033954789e+02 3.033954789e+02 1.40 2.815277996e+02 2.815277996e+02 1.42 2.612356305e+02 2.612356305e+02 1.44 2.423981910e+02 2.423981910e+02 1.46 2.249049490e+02 2.249049490e+02 1.48 2.086539367e+02 2.086539367e+02 1.50 1.935506344e+02 1.935506344e+02 1.52 1.795075942e+02 1.795075942e+02 1.54 1.664445584e+02 1.664445584e+02 1.56 1.542886454e+02 1.542886454e+02 1.58 1.429741924e+02 1.429741924e+02 1.60 1.324420961e+02 1.324420961e+02 1.62 1.226387877e+02 1.226387877e+02 1.64 1.135151587e+02 1.135151587e+02 1.66 1.050256724e+02 1.050256724e+02 1.68 9.712775418e+01 9.712775418e+01 1.70 8.978141672e+01 8.978141672e+01 1.72 8.294903228e+01 8.294903228e+01 1.74 7.659860815e+01 7.659860815e+01 1.76 7.069914669e+01 7.069914669e+01 1.78 6.522048851e+01 6.522048851e+01 1.80 6.013257747e+01 6.013257747e+01 1.82 5.540706641e+01 5.540706641e+01 1.84 5.101745813e+01 5.101745813e+01 1.86 4.693976358e+01 4.693976358e+01 1.88 4.315211349e+01 4.315211349e+01 1.90 3.963448337e+01 3.963448337e+01 1.92 3.636839213e+01 3.636839213e+01 1.94 3.333659165e+01 3.333659165e+01 1.96 3.052281964e+01 3.052281964e+01 1.98 2.791165574e+01 2.791165574e+01 2.00 2.548848005e+01 2.548848005e+01 2.02 2.323950475e+01 2.323950475e+01 2.04 2.115183861e+01 2.115183861e+01 2.06 1.921354072e+01 1.921354072e+01 2.08 1.741363298e+01 1.741363298e+01 2.10 1.574206907e+01 1.574206907e+01 2.12 1.418967345e+01 1.418967345e+01 2.14 1.274807257e+01 1.274807257e+01 2.16 1.140962999e+01 1.140962999e+01 2.18 1.016738112e+01 1.016738112e+01 2.20 9.014963846e+00 9.014963846e+00 2.22 7.946538077e+00 7.946538077e+00 2.24 6.956701868e+00 6.956701868e+00 2.26 6.040410454e+00 6.040410454e+00 2.28 5.192902849e+00 5.192902849e+00 2.30 4.409646924e+00 4.409646924e+00 2.32 3.686296171e+00 3.686296171e+00 2.34 3.018674352e+00 3.018674352e+00 2.36 2.402777319e+00 2.402777319e+00 2.38 1.834813759e+00 1.834813759e+00 2.40 1.311331935e+00 1.311331935e+00 2.42 8.288546447e-01 8.288546447e-01 2.44 3.841592834e-01 3.841592834e-01 2.46 -2.564382831e-02 -2.564382831e-02 2.48 -4.031287105e-01 -4.031287105e-01 2.50 -7.505436763e-01 -7.505436763e-01 2.52 -1.069759357e+00 -1.069759357e+00 2.54 -1.362389855e+00 -1.362389855e+00 2.56 -1.629904769e+00 -1.629904769e+00 2.58 -1.873694417e+00 -1.873694417e+00 2.60 -2.095067865e+00 -2.095067865e+00 2.62 -2.295256400e+00 -2.295256400e+00 2.64 -2.475422293e+00 -2.475422293e+00 2.66 -2.636663254e+00 -2.636663254e+00 2.68 -2.779931445e+00 -2.779931445e+00 2.70 -2.906022177e+00 -2.906022177e+00 2.72 -3.015721690e+00 -3.015721690e+00 2.74 -3.109814943e+00 -3.109814943e+00 2.76 -3.189081072e+00 -3.189081072e+00 2.78 -3.254289650e+00 -3.254289650e+00 2.80 -3.306200224e+00 -3.306200224e+00 2.82 -3.345562126e+00 -3.345562126e+00 2.84 -3.373119951e+00 -3.373119951e+00 2.86 -3.389619879e+00 -3.389619879e+00 2.88 -3.395817280e+00 -3.395817280e+00 2.90 -3.392483374e+00 -3.392483374e+00 2.92 -3.380408908e+00 -3.380408908e+00 2.94 -3.360403028e+00 -3.360403028e+00 2.96 -3.333286212e+00 -3.333286212e+00 2.98 -3.299877150e+00 -3.299877150e+00 3.00 -3.260974741e+00 -3.260974741e+00 3.02 -3.217337453e+00 -3.217337453e+00 3.04 -3.169662807e+00 -3.169662807e+00 3.06 -3.118571618e+00 -3.118571618e+00 3.08 -3.064595497e+00 -3.064595497e+00 3.10 -3.008174798e+00 -3.008174798e+00 3.12 -2.949662259e+00 -2.949662259e+00 3.14 -2.889336631e+00 -2.889336631e+00 3.16 -2.827415722e+00 -2.827415722e+00 3.18 -2.764078617e+00 -2.764078617e+00 3.20 -2.699485484e+00 -2.699485484e+00 3.22 -2.633796828e+00 -2.633796828e+00 3.24 -2.567189607e+00 -2.567189607e+00 3.26 -2.499868639e+00 -2.499868639e+00 3.28 -2.432072146e+00 -2.432072146e+00 3.30 -2.364070907e+00 -2.364070907e+00 3.32 -2.296161337e+00 -2.296161337e+00 3.34 -2.228653745e+00 -2.228653745e+00 3.36 -2.161857767e+00 -2.161857767e+00 3.38 -2.096067309e+00 -2.096067309e+00 3.40 -2.031547072e+00 -2.031547072e+00 3.42 -1.968528370e+00 -1.968528370e+00 3.44 -1.907249248e+00 -1.907249248e+00 3.46 -1.847772497e+00 -1.847772497e+00 3.48 -1.790093606e+00 -1.790093606e+00 3.50 -1.734184646e+00 -1.734184646e+00 3.52 -1.679997461e+00 -1.679997461e+00 3.54 -1.627443810e+00 -1.627443810e+00 3.56 -1.576251971e+00 -1.576251971e+00 3.58 -1.526106342e+00 -1.526106342e+00 3.60 -1.476743482e+00 -1.476743482e+00 3.62 -1.427946505e+00 -1.427946505e+00 3.64 -1.379539893e+00 -1.379539893e+00 3.66 -1.331385785e+00 -1.331385785e+00 3.68 -1.283382022e+00 -1.283382022e+00 3.70 -1.235461829e+00 -1.235461829e+00 3.72 -1.187594726e+00 -1.187594726e+00 3.74 -1.139787998e+00 -1.139787998e+00 3.76 -1.092087957e+00 -1.092087957e+00 3.78 -1.044580159e+00 -1.044580159e+00 3.80 -9.973878669e-01 -9.973878669e-01 3.82 -9.506682328e-01 -9.506682328e-01 3.84 -9.046060020e-01 -9.046060020e-01 3.86 -8.594048988e-01 -8.594048988e-01 3.88 -8.152772465e-01 -8.152772465e-01 3.90 -7.724326912e-01 -7.724326912e-01 3.92 -7.310668817e-01 -7.310668817e-01 3.94 -6.913524513e-01 -6.913524513e-01 3.96 -6.534299080e-01 -6.534299080e-01 3.98 -6.174035509e-01 -6.174035509e-01 4.00 -5.833390745e-01 -5.833390745e-01 4.02 -5.512641468e-01 -5.512641468e-01 4.04 -5.211712385e-01 -5.211712385e-01 4.06 -4.930220779e-01 -4.930220779e-01 4.08 -4.667530647e-01 -4.667530647e-01 4.10 -4.422802799e-01 -4.422802799e-01 4.12 -4.195082810e-01 -4.195082810e-01 4.14 -3.983302223e-01 -3.983302223e-01 4.16 -3.786358408e-01 -3.786358408e-01 4.18 -3.603141529e-01 -3.603141529e-01 4.20 -3.432563010e-01 -3.432563010e-01 4.22 -3.273576561e-01 -3.273576561e-01 4.24 -3.125192674e-01 -3.125192674e-01 4.26 -2.986487653e-01 -2.986487653e-01 4.28 -2.856608279e-01 -2.856608279e-01 4.30 -2.734773101e-01 -2.734773101e-01 4.32 -2.620271265e-01 -2.620271265e-01 4.34 -2.512459615e-01 -2.512459615e-01 4.36 -2.410758684e-01 -2.410758684e-01 4.38 -2.314648021e-01 -2.314648021e-01 4.40 -2.223661230e-01 -2.223661230e-01 4.42 -2.137380957e-01 -2.137380957e-01 4.44 -2.055434014e-01 -2.055434014e-01 4.46 -1.977486746e-01 -1.977486746e-01 4.48 -1.903240717e-01 -1.903240717e-01 4.50 -1.832428751e-01 -1.832428751e-01 4.52 -1.764811335e-01 -1.764811335e-01 4.54 -1.700173382e-01 -1.700173382e-01 4.56 -1.638321364e-01 -1.638321364e-01 4.58 -1.579080715e-01 -1.579080715e-01 4.60 -1.522293530e-01 -1.522293530e-01 4.62 -1.467816612e-01 -1.467816612e-01 4.64 -1.415519704e-01 -1.415519704e-01 4.66 -1.365283952e-01 -1.365283952e-01 4.68 -1.317000552e-01 -1.317000552e-01 4.70 -1.270569570e-01 -1.270569570e-01 4.72 -1.225898914e-01 -1.225898914e-01 4.74 -1.182903427e-01 -1.182903427e-01 4.76 -1.141504106e-01 -1.141504106e-01 4.78 -1.101627411e-01 -1.101627411e-01 4.80 -1.063200579e-01 -1.063200579e-01 4.82 -1.026168168e-01 -1.026168168e-01 4.84 -9.904647691e-02 -9.904647691e-02 4.86 -9.560320503e-02 -9.560320503e-02 4.88 -9.228148091e-02 -9.228148091e-02 4.90 -8.907626733e-02 -8.907626733e-02 4.92 -8.598276707e-02 -8.598276707e-02 4.94 -8.299640006e-02 -8.299640006e-02 4.96 -8.011278413e-02 -8.011278413e-02 4.98 -7.732771799e-02 -7.732771799e-02 5.00 -7.463716635e-02 -7.463716635e-02 5.02 -7.203724709e-02 -7.203724709e-02 5.04 -6.952422037e-02 -6.952422037e-02 5.06 -6.709447991e-02 -6.709447991e-02 5.08 -6.474454630e-02 -6.474454630e-02 5.10 -6.247106262e-02 -6.247106262e-02 5.12 -6.027079253e-02 -6.027079253e-02 5.14 -5.814062100e-02 -5.814062100e-02 5.16 -5.607755797e-02 -5.607755797e-02 5.18 -5.407874500e-02 -5.407874500e-02 5.20 -5.214146519e-02 -5.214146519e-02 5.22 -5.026315621e-02 -5.026315621e-02 5.24 -4.844142619e-02 -4.844142619e-02 5.26 -4.667407195e-02 -4.667407195e-02 5.28 -4.495909860e-02 -4.495909860e-02 5.30 -4.329473903e-02 -4.329473903e-02 5.32 -4.167947147e-02 -4.167947147e-02 5.34 -4.011203259e-02 -4.011203259e-02 5.36 -3.859142375e-02 -3.859142375e-02 5.38 -3.711690726e-02 -3.711690726e-02 5.40 -3.568799059e-02 -3.568799059e-02 5.42 -3.430439703e-02 -3.430439703e-02 5.44 -3.296602214e-02 -3.296602214e-02 5.46 -3.167287740e-02 -3.167287740e-02 5.48 -3.042502411e-02 -3.042502411e-02 5.50 -2.922250218e-02 -2.922250218e-02 5.52 -2.806525940e-02 -2.806525940e-02 5.54 -2.695308753e-02 -2.695308753e-02 5.56 -2.588557048e-02 -2.588557048e-02 5.58 -2.486204894e-02 -2.486204894e-02 5.60 -2.388160348e-02 -2.388160348e-02 5.62 -2.294305622e-02 -2.294305622e-02 5.64 -2.204498891e-02 -2.204498891e-02 5.66 -2.118577415e-02 -2.118577415e-02 5.68 -2.036361514e-02 -2.036361514e-02 5.70 -1.957658985e-02 -1.957658985e-02 5.72 -1.882269532e-02 -1.882269532e-02 5.74 -1.809988865e-02 -1.809988865e-02 5.76 -1.740609003e-02 -1.740609003e-02 5.78 -1.673926760e-02 -1.673926760e-02 5.80 -1.609746350e-02 -1.609746350e-02 5.82 -1.547878700e-02 -1.547878700e-02 5.84 -1.488142674e-02 -1.488142674e-02 5.86 -1.430365852e-02 -1.430365852e-02 5.88 -1.374384985e-02 -1.374384985e-02 5.90 -1.320046231e-02 -1.320046231e-02 5.92 -1.267205275e-02 -1.267205275e-02 5.94 -1.215727424e-02 -1.215727424e-02 5.96 -1.165487756e-02 -1.165487756e-02 5.98 -1.116371368e-02 -1.116371368e-02 6.00 -1.068273783e-02 -1.068273783e-02