# 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 = MgPd2Zr # 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 3.964775423e+02 3.964775423e+02 1.30 3.683967226e+02 3.683967226e+02 1.32 3.423556525e+02 3.423556525e+02 1.34 3.181925461e+02 3.181925461e+02 1.36 2.957593809e+02 2.957593809e+02 1.38 2.749208836e+02 2.749208836e+02 1.40 2.555533078e+02 2.555533078e+02 1.42 2.375434364e+02 2.375434364e+02 1.44 2.207882447e+02 2.207882447e+02 1.46 2.051943196e+02 2.051943196e+02 1.48 1.906765055e+02 1.906765055e+02 1.50 1.771565126e+02 1.771565126e+02 1.52 1.645621083e+02 1.645621083e+02 1.54 1.528264601e+02 1.528264601e+02 1.56 1.418874987e+02 1.418874987e+02 1.58 1.316871645e+02 1.316871645e+02 1.60 1.221710320e+02 1.221710320e+02 1.62 1.132884154e+02 1.132884154e+02 1.64 1.049928519e+02 1.049928519e+02 1.66 9.724232854e+01 9.724232854e+01 1.68 8.999905052e+01 8.999905052e+01 1.70 8.322879235e+01 8.322879235e+01 1.72 7.690002529e+01 7.690002529e+01 1.74 7.098317887e+01 7.098317887e+01 1.76 6.545052147e+01 6.545052147e+01 1.78 6.027620246e+01 6.027620246e+01 1.80 5.543581072e+01 5.543581072e+01 1.82 5.092470653e+01 5.092470653e+01 1.84 4.673425364e+01 4.673425364e+01 1.86 4.284238179e+01 4.284238179e+01 1.88 3.922857181e+01 3.922857181e+01 1.90 3.587346386e+01 3.587346386e+01 1.92 3.275874264e+01 3.275874264e+01 1.94 2.986719022e+01 2.986719022e+01 1.96 2.718287850e+01 2.718287850e+01 1.98 2.469124050e+01 2.469124050e+01 2.00 2.237899574e+01 2.237899574e+01 2.02 2.023396553e+01 2.023396553e+01 2.04 1.824487469e+01 1.824487469e+01 2.06 1.640119794e+01 1.640119794e+01 2.08 1.469305494e+01 1.469305494e+01 2.10 1.311116872e+01 1.311116872e+01 2.12 1.164681849e+01 1.164681849e+01 2.14 1.029182008e+01 1.029182008e+01 2.16 9.038508796e+00 9.038508796e+00 2.18 7.879724232e+00 7.879724232e+00 2.20 6.808807732e+00 6.808807732e+00 2.22 5.819582782e+00 5.819582782e+00 2.24 4.906338650e+00 4.906338650e+00 2.26 4.063816141e+00 4.063816141e+00 2.28 3.287179149e+00 3.287179149e+00 2.30 2.572012369e+00 2.572012369e+00 2.32 1.914267322e+00 1.914267322e+00 2.34 1.310215476e+00 1.310215476e+00 2.36 7.563837342e-01 7.563837342e-01 2.38 2.494924062e-01 2.494924062e-01 2.40 -2.135982319e-01 -2.135982319e-01 2.42 -6.359319189e-01 -6.359319189e-01 2.44 -1.020474341e+00 -1.020474341e+00 2.46 -1.370119463e+00 -1.370119463e+00 2.48 -1.687669993e+00 -1.687669993e+00 2.50 -1.975865222e+00 -1.975865222e+00 2.52 -2.237172245e+00 -2.237172245e+00 2.54 -2.473793977e+00 -2.473793977e+00 2.56 -2.687714120e+00 -2.687714120e+00 2.58 -2.880687631e+00 -2.880687631e+00 2.60 -3.054253747e+00 -3.054253747e+00 2.62 -3.209764587e+00 -3.209764587e+00 2.64 -3.348416379e+00 -3.348416379e+00 2.66 -3.471164939e+00 -3.471164939e+00 2.68 -3.578854286e+00 -3.578854286e+00 2.70 -3.672313730e+00 -3.672313730e+00 2.72 -3.752362208e+00 -3.752362208e+00 2.74 -3.819807254e+00 -3.819807254e+00 2.76 -3.875441274e+00 -3.875441274e+00 2.78 -3.920034834e+00 -3.920034834e+00 2.80 -3.954340981e+00 -3.954340981e+00 2.82 -3.979080264e+00 -3.979080264e+00 2.84 -3.994951617e+00 -3.994951617e+00 2.86 -4.002883728e+00 -4.002883728e+00 2.88 -4.003926439e+00 -4.003926439e+00 2.90 -3.998470203e+00 -3.998470203e+00 2.92 -3.986915654e+00 -3.986915654e+00 2.94 -3.969686250e+00 -3.969686250e+00 2.96 -3.947215348e+00 -3.947215348e+00 2.98 -3.919932117e+00 -3.919932117e+00 3.00 -3.888248644e+00 -3.888248644e+00 3.02 -3.852550414e+00 -3.852550414e+00 3.04 -3.813203498e+00 -3.813203498e+00 3.06 -3.770600185e+00 -3.770600185e+00 3.08 -3.725094736e+00 -3.725094736e+00 3.10 -3.677004491e+00 -3.677004491e+00 3.12 -3.626612841e+00 -3.626612841e+00 3.14 -3.574187216e+00 -3.574187216e+00 3.16 -3.519967666e+00 -3.519967666e+00 3.18 -3.464183543e+00 -3.464183543e+00 3.20 -3.407053704e+00 -3.407053704e+00 3.22 -3.348789742e+00 -3.348789742e+00 3.24 -3.289599232e+00 -3.289599232e+00 3.26 -3.229688669e+00 -3.229688669e+00 3.28 -3.169265213e+00 -3.169265213e+00 3.30 -3.108536102e+00 -3.108536102e+00 3.32 -3.047705070e+00 -3.047705070e+00 3.34 -2.986966115e+00 -2.986966115e+00 3.36 -2.926496067e+00 -2.926496067e+00 3.38 -2.866447972e+00 -2.866447972e+00 3.40 -2.806945965e+00 -2.806945965e+00 3.42 -2.748089193e+00 -2.748089193e+00 3.44 -2.689946918e+00 -2.689946918e+00 3.46 -2.632568072e+00 -2.632568072e+00 3.48 -2.575992179e+00 -2.575992179e+00 3.50 -2.520248343e+00 -2.520248343e+00 3.52 -2.465334116e+00 -2.465334116e+00 3.54 -2.411243195e+00 -2.411243195e+00 3.56 -2.357967243e+00 -2.357967243e+00 3.58 -2.305496124e+00 -2.305496124e+00 3.60 -2.253817709e+00 -2.253817709e+00 3.62 -2.202917532e+00 -2.202917532e+00 3.64 -2.152778502e+00 -2.152778502e+00 3.66 -2.103378345e+00 -2.103378345e+00 3.68 -2.054675214e+00 -2.054675214e+00 3.70 -2.006621103e+00 -2.006621103e+00 3.72 -1.959172548e+00 -1.959172548e+00 3.74 -1.912291594e+00 -1.912291594e+00 3.76 -1.865947229e+00 -1.865947229e+00 3.78 -1.820117028e+00 -1.820117028e+00 3.80 -1.774788697e+00 -1.774788697e+00 3.82 -1.729961151e+00 -1.729961151e+00 3.84 -1.685644757e+00 -1.685644757e+00 3.86 -1.641860458e+00 -1.641860458e+00 3.88 -1.598637708e+00 -1.598637708e+00 3.90 -1.556011429e+00 -1.556011429e+00 3.92 -1.514017337e+00 -1.514017337e+00 3.94 -1.472693175e+00 -1.472693175e+00 3.96 -1.432068696e+00 -1.432068696e+00 3.98 -1.392169354e+00 -1.392169354e+00 4.00 -1.353014783e+00 -1.353014783e+00 4.02 -1.314619761e+00 -1.314619761e+00 4.04 -1.276995885e+00 -1.276995885e+00 4.06 -1.240153419e+00 -1.240153419e+00 4.08 -1.204102852e+00 -1.204102852e+00 4.10 -1.168851731e+00 -1.168851731e+00 4.12 -1.134421923e+00 -1.134421923e+00 4.14 -1.100821899e+00 -1.100821899e+00 4.16 -1.068064543e+00 -1.068064543e+00 4.18 -1.036160466e+00 -1.036160466e+00 4.20 -1.005116361e+00 -1.005116361e+00 4.22 -9.749335912e-01 -9.749335912e-01 4.24 -9.456072320e-01 -9.456072320e-01 4.26 -9.171256474e-01 -9.171256474e-01 4.28 -8.894706180e-01 -8.894706180e-01 4.30 -8.626179268e-01 -8.626179268e-01 4.32 -8.365382682e-01 -8.365382682e-01 4.34 -8.111983335e-01 -8.111983335e-01 4.36 -7.865619382e-01 -7.865619382e-01 4.38 -7.625910910e-01 -7.625910910e-01 4.40 -7.392469451e-01 -7.392469451e-01 4.42 -7.164906091e-01 -7.164906091e-01 4.44 -6.942838243e-01 -6.942838243e-01 4.46 -6.725895355e-01 -6.725895355e-01 4.48 -6.513723926e-01 -6.513723926e-01 4.50 -6.305992220e-01 -6.305992220e-01 4.52 -6.102395032e-01 -6.102395032e-01 4.54 -5.902658769e-01 -5.902658769e-01 4.56 -5.706546965e-01 -5.706546965e-01 4.58 -5.513866220e-01 -5.513866220e-01 4.60 -5.324472325e-01 -5.324472325e-01 4.62 -5.138276189e-01 -5.138276189e-01 4.64 -4.955248948e-01 -4.955248948e-01 4.66 -4.775425544e-01 -4.775425544e-01 4.68 -4.598905926e-01 -4.598905926e-01 4.70 -4.425853119e-01 -4.425853119e-01 4.72 -4.256487523e-01 -4.256487523e-01 4.74 -4.091077173e-01 -4.091077173e-01 4.76 -3.929924095e-01 -3.929924095e-01 4.78 -3.773347442e-01 -3.773347442e-01 4.80 -3.621631416e-01 -3.621631416e-01 4.82 -3.475144057e-01 -3.475144057e-01 4.84 -3.334102239e-01 -3.334102239e-01 4.86 -3.198707819e-01 -3.198707819e-01 4.88 -3.069096343e-01 -3.069096343e-01 4.90 -2.945330571e-01 -2.945330571e-01 4.92 -2.827399016e-01 -2.827399016e-01 4.94 -2.715219110e-01 -2.715219110e-01 4.96 -2.608644142e-01 -2.608644142e-01 4.98 -2.507472883e-01 -2.507472883e-01 5.00 -2.411460705e-01 -2.411460705e-01 5.02 -2.320331140e-01 -2.320331140e-01 5.04 -2.233786963e-01 -2.233786963e-01 5.06 -2.151520212e-01 -2.151520212e-01 5.08 -2.073220744e-01 -2.073220744e-01 5.10 -1.998583180e-01 -1.998583180e-01 5.12 -1.927312273e-01 -1.927312273e-01 5.14 -1.859126394e-01 -1.859126394e-01 5.16 -1.793760346e-01 -1.793760346e-01 5.18 -1.730969050e-01 -1.730969050e-01 5.20 -1.670526891e-01 -1.670526891e-01 5.22 -1.612228335e-01 -1.612228335e-01 5.24 -1.555888312e-01 -1.555888312e-01 5.26 -1.501342431e-01 -1.501342431e-01 5.28 -1.448447126e-01 -1.448447126e-01 5.30 -1.397079763e-01 -1.397079763e-01 5.32 -1.347138714e-01 -1.347138714e-01 5.34 -1.298543317e-01 -1.298543317e-01 5.36 -1.251233628e-01 -1.251233628e-01 5.38 -1.205169826e-01 -1.205169826e-01 5.40 -1.160331132e-01 -1.160331132e-01 5.42 -1.116714112e-01 -1.116714112e-01 5.44 -1.074330289e-01 -1.074330289e-01 5.46 -1.033203079e-01 -1.033203079e-01 5.48 -9.933640732e-02 -9.933640732e-02 5.50 -9.548488533e-02 -9.548488533e-02 5.52 -9.176927677e-02 -9.176927677e-02 5.54 -8.819267947e-02 -8.819267947e-02 5.56 -8.475738809e-02 -8.475738809e-02 5.58 -8.146460313e-02 -8.146460313e-02 5.60 -7.831388521e-02 -7.831388521e-02 5.62 -7.530338186e-02 -7.530338186e-02 5.64 -7.243068810e-02 -7.243068810e-02 5.66 -6.969197388e-02 -6.969197388e-02 5.68 -6.708215444e-02 -6.708215444e-02 5.70 -6.459512650e-02 -6.459512650e-02 5.72 -6.222402042e-02 -6.222402042e-02 5.74 -5.996144692e-02 -5.996144692e-02 5.76 -5.779972250e-02 -5.779972250e-02 5.78 -5.573106365e-02 -5.573106365e-02 5.80 -5.374774529e-02 -5.374774529e-02 5.82 -5.184222324e-02 -5.184222324e-02 5.84 -5.000722348e-02 -5.000722348e-02 5.86 -4.823580291e-02 -4.823580291e-02 5.88 -4.652138717e-02 -4.652138717e-02 5.90 -4.485779143e-02 -4.485779143e-02 5.92 -4.323922973e-02 -4.323922973e-02 5.94 -4.166031774e-02 -4.166031774e-02 5.96 -4.011607334e-02 -4.011607334e-02 5.98 -3.860191854e-02 -3.860191854e-02 6.00 -3.711368536e-02 -3.711368536e-02