# 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 = MgMoPt2 # 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 4.037343106e+02 4.037343106e+02 1.30 3.760544853e+02 3.760544853e+02 1.32 3.502358259e+02 3.502358259e+02 1.34 3.261415306e+02 3.261415306e+02 1.36 3.036570401e+02 3.036570401e+02 1.38 2.826830108e+02 2.826830108e+02 1.40 2.631277879e+02 2.631277879e+02 1.42 2.449017953e+02 2.449017953e+02 1.44 2.279133336e+02 2.279133336e+02 1.46 2.120681066e+02 2.120681066e+02 1.48 1.972738788e+02 1.972738788e+02 1.50 1.834459547e+02 1.834459547e+02 1.52 1.705087858e+02 1.705087858e+02 1.54 1.583940426e+02 1.583940426e+02 1.56 1.470382531e+02 1.470382531e+02 1.58 1.363815734e+02 1.363815734e+02 1.60 1.263673899e+02 1.263673899e+02 1.62 1.169423212e+02 1.169423212e+02 1.64 1.080568336e+02 1.080568336e+02 1.66 9.966658772e+01 9.966658772e+01 1.68 9.173403637e+01 9.173403637e+01 1.70 8.422938961e+01 8.422938961e+01 1.72 7.713025384e+01 7.713025384e+01 1.74 7.042014276e+01 7.042014276e+01 1.76 6.408682337e+01 6.408682337e+01 1.78 5.816834424e+01 5.816834424e+01 1.80 5.273461790e+01 5.273461790e+01 1.82 4.775469044e+01 4.775469044e+01 1.84 4.319661968e+01 4.319661968e+01 1.86 3.903002223e+01 3.903002223e+01 1.88 3.522584548e+01 3.522584548e+01 1.90 3.175571934e+01 3.175571934e+01 1.92 2.859135947e+01 2.859135947e+01 1.94 2.570453577e+01 2.570453577e+01 1.96 2.306779055e+01 2.306779055e+01 1.98 2.065552873e+01 2.065552873e+01 2.00 1.844490249e+01 1.844490249e+01 2.02 1.641613949e+01 1.641613949e+01 2.04 1.455234820e+01 1.455234820e+01 2.06 1.283904105e+01 1.283904105e+01 2.08 1.126360327e+01 1.126360327e+01 2.10 9.814834784e+00 9.814834784e+00 2.12 8.482604736e+00 8.482604736e+00 2.14 7.257629274e+00 7.257629274e+00 2.16 6.131360339e+00 6.131360339e+00 2.18 5.095957035e+00 5.095957035e+00 2.20 4.144295874e+00 4.144295874e+00 2.22 3.269974390e+00 3.269974390e+00 2.24 2.467286779e+00 2.467286779e+00 2.26 1.731169742e+00 1.731169742e+00 2.28 1.057128004e+00 1.057128004e+00 2.30 4.411527053e-01 4.411527053e-01 2.32 -1.203637963e-01 -1.203637963e-01 2.34 -6.307104333e-01 -6.307104333e-01 2.36 -1.092936324e+00 -1.092936324e+00 2.38 -1.509924876e+00 -1.509924876e+00 2.40 -1.884461450e+00 -1.884461450e+00 2.42 -2.219292447e+00 -2.219292447e+00 2.44 -2.517171017e+00 -2.517171017e+00 2.46 -2.780887331e+00 -2.780887331e+00 2.48 -3.013279665e+00 -3.013279665e+00 2.50 -3.217224393e+00 -3.217224393e+00 2.52 -3.395600425e+00 -3.395600425e+00 2.54 -3.551682377e+00 -3.551682377e+00 2.56 -3.690060214e+00 -3.690060214e+00 2.58 -3.812848499e+00 -3.812848499e+00 2.60 -3.921613953e+00 -3.921613953e+00 2.62 -4.017617234e+00 -4.017617234e+00 2.64 -4.101810745e+00 -4.101810745e+00 2.66 -4.174884156e+00 -4.174884156e+00 2.68 -4.237336626e+00 -4.237336626e+00 2.70 -4.289549145e+00 -4.289549145e+00 2.72 -4.331791972e+00 -4.331791972e+00 2.74 -4.364232917e+00 -4.364232917e+00 2.76 -4.387065358e+00 -4.387065358e+00 2.78 -4.400520305e+00 -4.400520305e+00 2.80 -4.404861376e+00 -4.404861376e+00 2.82 -4.400379909e+00 -4.400379909e+00 2.84 -4.387395783e+00 -4.387395783e+00 2.86 -4.366263211e+00 -4.366263211e+00 2.88 -4.337382114e+00 -4.337382114e+00 2.90 -4.301212710e+00 -4.301212710e+00 2.92 -4.258289151e+00 -4.258289151e+00 2.94 -4.209226519e+00 -4.209226519e+00 2.96 -4.154715373e+00 -4.154715373e+00 2.98 -4.095500150e+00 -4.095500150e+00 3.00 -4.032342025e+00 -4.032342025e+00 3.02 -3.965972160e+00 -3.965972160e+00 3.04 -3.897044924e+00 -3.897044924e+00 3.06 -3.826102500e+00 -3.826102500e+00 3.08 -3.753554780e+00 -3.753554780e+00 3.10 -3.679680390e+00 -3.679680390e+00 3.12 -3.604641891e+00 -3.604641891e+00 3.14 -3.528511839e+00 -3.528511839e+00 3.16 -3.451299630e+00 -3.451299630e+00 3.18 -3.372979426e+00 -3.372979426e+00 3.20 -3.293512758e+00 -3.293512758e+00 3.22 -3.212866747e+00 -3.212866747e+00 3.24 -3.131028103e+00 -3.131028103e+00 3.26 -3.048013684e+00 -3.048013684e+00 3.28 -2.963878318e+00 -2.963878318e+00 3.30 -2.878720265e+00 -2.878720265e+00 3.32 -2.792685064e+00 -2.792685064e+00 3.34 -2.706075634e+00 -2.706075634e+00 3.36 -2.619452015e+00 -2.619452015e+00 3.38 -2.533391664e+00 -2.533391664e+00 3.40 -2.448447559e+00 -2.448447559e+00 3.42 -2.365147082e+00 -2.365147082e+00 3.44 -2.283950173e+00 -2.283950173e+00 3.46 -2.205247905e+00 -2.205247905e+00 3.48 -2.129359429e+00 -2.129359429e+00 3.50 -2.056524984e+00 -2.056524984e+00 3.52 -1.986903480e+00 -1.986903480e+00 3.54 -1.920574760e+00 -1.920574760e+00 3.56 -1.857546042e+00 -1.857546042e+00 3.58 -1.797761560e+00 -1.797761560e+00 3.60 -1.741114181e+00 -1.741114181e+00 3.62 -1.687456461e+00 -1.687456461e+00 3.64 -1.636604104e+00 -1.636604104e+00 3.66 -1.588352922e+00 -1.588352922e+00 3.68 -1.542494330e+00 -1.542494330e+00 3.70 -1.498822327e+00 -1.498822327e+00 3.72 -1.457138732e+00 -1.457138732e+00 3.74 -1.417256829e+00 -1.417256829e+00 3.76 -1.379003639e+00 -1.379003639e+00 3.78 -1.342221114e+00 -1.342221114e+00 3.80 -1.306766485e+00 -1.306766485e+00 3.82 -1.272511996e+00 -1.272511996e+00 3.84 -1.239344219e+00 -1.239344219e+00 3.86 -1.207163072e+00 -1.207163072e+00 3.88 -1.175880705e+00 -1.175880705e+00 3.90 -1.145420322e+00 -1.145420322e+00 3.92 -1.115714963e+00 -1.115714963e+00 3.94 -1.086706998e+00 -1.086706998e+00 3.96 -1.058346607e+00 -1.058346607e+00 3.98 -1.030591784e+00 -1.030591784e+00 4.00 -1.003407898e+00 -1.003407898e+00 4.02 -9.767675917e-01 -9.767675917e-01 4.04 -9.506507947e-01 -9.506507947e-01 4.06 -9.250447409e-01 -9.250447409e-01 4.08 -8.999438567e-01 -8.999438567e-01 4.10 -8.753492606e-01 -8.753492606e-01 4.12 -8.512685572e-01 -8.512685572e-01 4.14 -8.277137637e-01 -8.277137637e-01 4.16 -8.047002546e-01 -8.047002546e-01 4.18 -7.822445301e-01 -7.822445301e-01 4.20 -7.603619183e-01 -7.603619183e-01 4.22 -7.390642698e-01 -7.390642698e-01 4.24 -7.183578983e-01 -7.183578983e-01 4.26 -6.982419952e-01 -6.982419952e-01 4.28 -6.787076729e-01 -6.787076729e-01 4.30 -6.597376886e-01 -6.597376886e-01 4.32 -6.413067930e-01 -6.413067930e-01 4.34 -6.233825680e-01 -6.233825680e-01 4.36 -6.059265705e-01 -6.059265705e-01 4.38 -5.888956003e-01 -5.888956003e-01 4.40 -5.722429392e-01 -5.722429392e-01 4.42 -5.559194575e-01 -5.559194575e-01 4.44 -5.398745403e-01 -5.398745403e-01 4.46 -5.240568278e-01 -5.240568278e-01 4.48 -5.084148053e-01 -5.084148053e-01 4.50 -4.928972956e-01 -4.928972956e-01 4.52 -4.774539227e-01 -4.774539227e-01 4.54 -4.620356154e-01 -4.620356154e-01 4.56 -4.465952196e-01 -4.465952196e-01 4.58 -4.310882762e-01 -4.310882762e-01 4.60 -4.154740112e-01 -4.154740112e-01 4.62 -3.997165661e-01 -3.997165661e-01 4.64 -3.837864709e-01 -3.837864709e-01 4.66 -3.676623335e-01 -3.676623335e-01 4.68 -3.513326786e-01 -3.513326786e-01 4.70 -3.347978297e-01 -3.347978297e-01 4.72 -3.180716781e-01 -3.180716781e-01 4.74 -3.011831491e-01 -3.011831491e-01 4.76 -2.841771432e-01 -2.841771432e-01 4.78 -2.671147312e-01 -2.671147312e-01 4.80 -2.500722333e-01 -2.500722333e-01 4.82 -2.331401474e-01 -2.331401474e-01 4.84 -2.164191004e-01 -2.164191004e-01 4.86 -2.000167829e-01 -2.000167829e-01 4.88 -1.840431294e-01 -1.840431294e-01 4.90 -1.686053345e-01 -1.686053345e-01 4.92 -1.538029232e-01 -1.538029232e-01 4.94 -1.397233135e-01 -1.397233135e-01 4.96 -1.264382552e-01 -1.264382552e-01 4.98 -1.140014165e-01 -1.140014165e-01 5.00 -1.024472413e-01 -1.024472413e-01 5.02 -9.179104890e-02 -9.179104890e-02 5.04 -8.203022311e-02 -8.203022311e-02 5.06 -7.314624421e-02 -7.314624421e-02 5.08 -6.510727543e-02 -6.510727543e-02 5.10 -5.787101798e-02 -5.787101798e-02 5.12 -5.138758395e-02 -5.138758395e-02 5.14 -4.560219057e-02 -4.560219057e-02 5.16 -4.045755172e-02 -4.045755172e-02 5.18 -3.589588431e-02 -3.589588431e-02 5.20 -3.186047949e-02 -3.186047949e-02 5.22 -2.829692619e-02 -2.829692619e-02 5.24 -2.515395886e-02 -2.515395886e-02 5.26 -2.238376210e-02 -2.238376210e-02 5.28 -1.994198300e-02 -1.994198300e-02 5.30 -1.778982526e-02 -1.778982526e-02 5.32 -1.589222180e-02 -1.589222180e-02 5.34 -1.421770094e-02 -1.421770094e-02 5.36 -1.273862648e-02 -1.273862648e-02 5.38 -1.143058656e-02 -1.143058656e-02 5.40 -1.027213846e-02 -1.027213846e-02 5.42 -9.244612722e-03 -9.244612722e-03 5.44 -8.331828619e-03 -8.331828619e-03 5.46 -7.519807157e-03 -7.519807157e-03 5.48 -6.796491778e-03 -6.796491778e-03 5.50 -6.151484068e-03 -6.151484068e-03 5.52 -5.575799820e-03 -5.575799820e-03 5.54 -5.061649233e-03 -5.061649233e-03 5.56 -4.602243703e-03 -4.602243703e-03 5.58 -4.191630273e-03 -4.191630273e-03 5.60 -3.824553421e-03 -3.824553421e-03 5.62 -3.496342592e-03 -3.496342592e-03 5.64 -3.202822799e-03 -3.202822799e-03 5.66 -2.940244896e-03 -2.940244896e-03 5.68 -2.705231801e-03 -2.705231801e-03 5.70 -2.494736979e-03 -2.494736979e-03 5.72 -2.306011874e-03 -2.306011874e-03 5.74 -2.136579502e-03 -2.136579502e-03 5.76 -1.984212061e-03 -1.984212061e-03 5.78 -1.846911040e-03 -1.846911040e-03 5.80 -1.722888825e-03 -1.722888825e-03 5.82 -1.610551259e-03 -1.610551259e-03 5.84 -1.508480891e-03 -1.508480891e-03 5.86 -1.415420885e-03 -1.415420885e-03 5.88 -1.330259632e-03 -1.330259632e-03 5.90 -1.252016209e-03 -1.252016209e-03 5.92 -1.179826776e-03 -1.179826776e-03 5.94 -1.112932044e-03 -1.112932044e-03 5.96 -1.050665867e-03 -1.050665867e-03 5.98 -9.924449917e-04 -9.924449917e-04 6.00 -9.377599875e-04 -9.377599875e-04