# 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 = AlFeZr2 # 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 2.484560510e+02 2.484560510e+02 1.30 2.302325301e+02 2.302325301e+02 1.32 2.133539411e+02 2.133539411e+02 1.34 1.977115736e+02 1.977115736e+02 1.36 1.832066940e+02 1.832066940e+02 1.38 1.697507777e+02 1.697507777e+02 1.40 1.572644310e+02 1.572644310e+02 1.42 1.456750904e+02 1.456750904e+02 1.44 1.349149860e+02 1.349149860e+02 1.46 1.249206936e+02 1.249206936e+02 1.48 1.156340850e+02 1.156340850e+02 1.50 1.070031215e+02 1.070031215e+02 1.52 9.898141221e+01 9.898141221e+01 1.54 9.152675473e+01 9.152675473e+01 1.56 8.459980720e+01 8.459980720e+01 1.58 7.816352842e+01 7.816352842e+01 1.60 7.218307071e+01 7.218307071e+01 1.62 6.662563795e+01 6.662563795e+01 1.64 6.146028255e+01 6.146028255e+01 1.66 5.665778225e+01 5.665778225e+01 1.68 5.219072226e+01 5.219072226e+01 1.70 4.803379867e+01 4.803379867e+01 1.72 4.416398983e+01 4.416398983e+01 1.74 4.056050684e+01 4.056050684e+01 1.76 3.720452007e+01 3.720452007e+01 1.78 3.407885869e+01 3.407885869e+01 1.80 3.116771645e+01 3.116771645e+01 1.82 2.845642578e+01 2.845642578e+01 1.84 2.593119560e+01 2.593119560e+01 1.86 2.357903879e+01 2.357903879e+01 1.88 2.138814544e+01 2.138814544e+01 1.90 1.934799453e+01 1.934799453e+01 1.92 1.744803141e+01 1.744803141e+01 1.94 1.567837965e+01 1.567837965e+01 1.96 1.403000217e+01 1.403000217e+01 1.98 1.249548859e+01 1.249548859e+01 2.00 1.106700438e+01 1.106700438e+01 2.02 9.737329732e+00 9.737329732e+00 2.04 8.499974865e+00 8.499974865e+00 2.06 7.349061998e+00 7.349061998e+00 2.08 6.279161457e+00 6.279161457e+00 2.10 5.285152536e+00 5.285152536e+00 2.12 4.362143347e+00 4.362143347e+00 2.14 3.505453118e+00 3.505453118e+00 2.16 2.710651294e+00 2.710651294e+00 2.18 1.973583598e+00 1.973583598e+00 2.20 1.290385953e+00 1.290385953e+00 2.22 6.574496975e-01 6.574496975e-01 2.24 7.139775545e-02 7.139775545e-02 2.26 -4.709175275e-01 -4.709175275e-01 2.28 -9.724116167e-01 -9.724116167e-01 2.30 -1.435721956e+00 -1.435721956e+00 2.32 -1.863239853e+00 -1.863239853e+00 2.34 -2.257099848e+00 -2.257099848e+00 2.36 -2.619244067e+00 -2.619244067e+00 2.38 -2.951467904e+00 -2.951467904e+00 2.40 -3.255470700e+00 -3.255470700e+00 2.42 -3.532907351e+00 -3.532907351e+00 2.44 -3.785414350e+00 -3.785414350e+00 2.46 -4.014634123e+00 -4.014634123e+00 2.48 -4.222210996e+00 -4.222210996e+00 2.50 -4.409771581e+00 -4.409771581e+00 2.52 -4.578895888e+00 -4.578895888e+00 2.54 -4.731088907e+00 -4.731088907e+00 2.56 -4.867759854e+00 -4.867759854e+00 2.58 -4.990211823e+00 -4.990211823e+00 2.60 -5.099639906e+00 -5.099639906e+00 2.62 -5.197129646e+00 -5.197129646e+00 2.64 -5.283670087e+00 -5.283670087e+00 2.66 -5.360136293e+00 -5.360136293e+00 2.68 -5.427411659e+00 -5.427411659e+00 2.70 -5.486081061e+00 -5.486081061e+00 2.72 -5.536578039e+00 -5.536578039e+00 2.74 -5.579282469e+00 -5.579282469e+00 2.76 -5.614527183e+00 -5.614527183e+00 2.78 -5.642602261e+00 -5.642602261e+00 2.80 -5.663773964e+00 -5.663773964e+00 2.82 -5.678273771e+00 -5.678273771e+00 2.84 -5.686253842e+00 -5.686253842e+00 2.86 -5.687664158e+00 -5.687664158e+00 2.88 -5.682477487e+00 -5.682477487e+00 2.90 -5.670738876e+00 -5.670738876e+00 2.92 -5.652561246e+00 -5.652561246e+00 2.94 -5.628120292e+00 -5.628120292e+00 2.96 -5.597648200e+00 -5.597648200e+00 2.98 -5.561426090e+00 -5.561426090e+00 3.00 -5.519775404e+00 -5.519775404e+00 3.02 -5.473048560e+00 -5.473048560e+00 3.04 -5.421614909e+00 -5.421614909e+00 3.06 -5.365869822e+00 -5.365869822e+00 3.08 -5.306315278e+00 -5.306315278e+00 3.10 -5.243877997e+00 -5.243877997e+00 3.12 -5.178779959e+00 -5.178779959e+00 3.14 -5.111179920e+00 -5.111179920e+00 3.16 -5.041260184e+00 -5.041260184e+00 3.18 -4.969238574e+00 -4.969238574e+00 3.20 -4.895354110e+00 -4.895354110e+00 3.22 -4.819865201e+00 -4.819865201e+00 3.24 -4.743048444e+00 -4.743048444e+00 3.26 -4.665196078e+00 -4.665196078e+00 3.28 -4.586618800e+00 -4.586618800e+00 3.30 -4.507637835e+00 -4.507637835e+00 3.32 -4.428570171e+00 -4.428570171e+00 3.34 -4.349718035e+00 -4.349718035e+00 3.36 -4.271356502e+00 -4.271356502e+00 3.38 -4.193689316e+00 -4.193689316e+00 3.40 -4.116833744e+00 -4.116833744e+00 3.42 -4.040878473e+00 -4.040878473e+00 3.44 -3.965875402e+00 -3.965875402e+00 3.46 -3.891850870e+00 -3.891850870e+00 3.48 -3.818808206e+00 -3.818808206e+00 3.50 -3.746733372e+00 -3.746733372e+00 3.52 -3.675600374e+00 -3.675600374e+00 3.54 -3.605375869e+00 -3.605375869e+00 3.56 -3.536022711e+00 -3.536022711e+00 3.58 -3.467502465e+00 -3.467502465e+00 3.60 -3.399777053e+00 -3.399777053e+00 3.62 -3.332809759e+00 -3.332809759e+00 3.64 -3.266565843e+00 -3.266565843e+00 3.66 -3.201012983e+00 -3.201012983e+00 3.68 -3.136121788e+00 -3.136121788e+00 3.70 -3.071866524e+00 -3.071866524e+00 3.72 -3.008226210e+00 -3.008226210e+00 3.74 -2.945186100e+00 -2.945186100e+00 3.76 -2.882739515e+00 -2.882739515e+00 3.78 -2.820889790e+00 -2.820889790e+00 3.80 -2.759651999e+00 -2.759651999e+00 3.82 -2.699053960e+00 -2.699053960e+00 3.84 -2.639136003e+00 -2.639136003e+00 3.86 -2.579949098e+00 -2.579949098e+00 3.88 -2.521551215e+00 -2.521551215e+00 3.90 -2.464002225e+00 -2.464002225e+00 3.92 -2.407354597e+00 -2.407354597e+00 3.94 -2.351662306e+00 -2.351662306e+00 3.96 -2.296953548e+00 -2.296953548e+00 3.98 -2.243244534e+00 -2.243244534e+00 4.00 -2.190534949e+00 -2.190534949e+00 4.02 -2.138809665e+00 -2.138809665e+00 4.04 -2.088041810e+00 -2.088041810e+00 4.06 -2.038196491e+00 -2.038196491e+00 4.08 -1.989234570e+00 -1.989234570e+00 4.10 -1.941108796e+00 -1.941108796e+00 4.12 -1.893796985e+00 -1.893796985e+00 4.14 -1.847256338e+00 -1.847256338e+00 4.16 -1.801458659e+00 -1.801458659e+00 4.18 -1.756382526e+00 -1.756382526e+00 4.20 -1.712013988e+00 -1.712013988e+00 4.22 -1.668346901e+00 -1.668346901e+00 4.24 -1.625382909e+00 -1.625382909e+00 4.26 -1.583131051e+00 -1.583131051e+00 4.28 -1.541606952e+00 -1.541606952e+00 4.30 -1.500831575e+00 -1.500831575e+00 4.32 -1.460829581e+00 -1.460829581e+00 4.34 -1.421627355e+00 -1.421627355e+00 4.36 -1.383250875e+00 -1.383250875e+00 4.38 -1.345723579e+00 -1.345723579e+00 4.40 -1.309064461e+00 -1.309064461e+00 4.42 -1.273286542e+00 -1.273286542e+00 4.44 -1.238395857e+00 -1.238395857e+00 4.46 -1.204390988e+00 -1.204390988e+00 4.48 -1.171263117e+00 -1.171263117e+00 4.50 -1.138996521e+00 -1.138996521e+00 4.52 -1.107569380e+00 -1.107569380e+00 4.54 -1.076954774e+00 -1.076954774e+00 4.56 -1.047121750e+00 -1.047121750e+00 4.58 -1.018036371e+00 -1.018036371e+00 4.60 -9.896626934e-01 -9.896626934e-01 4.62 -9.619636314e-01 -9.619636314e-01 4.64 -9.349017184e-01 -9.349017184e-01 4.66 -9.084397709e-01 -9.084397709e-01 4.68 -8.825414823e-01 -8.825414823e-01 4.70 -8.571719734e-01 -8.571719734e-01 4.72 -8.322983279e-01 -8.322983279e-01 4.74 -8.078901324e-01 -8.078901324e-01 4.76 -7.839200332e-01 -7.839200332e-01 4.78 -7.603643111e-01 -7.603643111e-01 4.80 -7.371973881e-01 -7.371973881e-01 4.82 -7.144176983e-01 -7.144176983e-01 4.84 -6.920084946e-01 -6.920084946e-01 4.86 -6.699659754e-01 -6.699659754e-01 4.88 -6.482921738e-01 -6.482921738e-01 4.90 -6.269949229e-01 -6.269949229e-01 4.92 -6.060875334e-01 -6.060875334e-01 4.94 -5.855881503e-01 -5.855881503e-01 4.96 -5.655187858e-01 -5.655187858e-01 4.98 -5.459040598e-01 -5.459040598e-01 5.00 -5.267697161e-01 -5.267697161e-01 5.02 -5.081410190e-01 -5.081410190e-01 5.04 -4.900411509e-01 -4.900411509e-01 5.06 -4.724897437e-01 -4.724897437e-01 5.08 -4.555016605e-01 -4.555016605e-01 5.10 -4.390861200e-01 -4.390861200e-01 5.12 -4.232462142e-01 -4.232462142e-01 5.14 -4.079788313e-01 -4.079788313e-01 5.16 -3.932749544e-01 -3.932749544e-01 5.18 -3.791202772e-01 -3.791202772e-01 5.20 -3.654960602e-01 -3.654960602e-01 5.22 -3.523801440e-01 -3.523801440e-01 5.24 -3.397480401e-01 -3.397480401e-01 5.26 -3.275740296e-01 -3.275740296e-01 5.28 -3.158322150e-01 -3.158322150e-01 5.30 -3.044974797e-01 -3.044974797e-01 5.32 -2.935463255e-01 -2.935463255e-01 5.34 -2.829575615e-01 -2.829575615e-01 5.36 -2.727128273e-01 -2.727128273e-01 5.38 -2.627969318e-01 -2.627969318e-01 5.40 -2.531979981e-01 -2.531979981e-01 5.42 -2.439074061e-01 -2.439074061e-01 5.44 -2.349195361e-01 -2.349195361e-01 5.46 -2.262313269e-01 -2.262313269e-01 5.48 -2.178416779e-01 -2.178416779e-01 5.50 -2.097507405e-01 -2.097507405e-01 5.52 -2.019591536e-01 -2.019591536e-01 5.54 -1.944672904e-01 -1.944672904e-01 5.56 -1.872745784e-01 -1.872745784e-01 5.58 -1.803789464e-01 -1.803789464e-01 5.60 -1.737764333e-01 -1.737764333e-01 5.62 -1.674606699e-01 -1.674606699e-01 5.64 -1.614234795e-01 -1.614234795e-01 5.66 -1.556549237e-01 -1.556549237e-01 5.68 -1.501432212e-01 -1.501432212e-01 5.70 -1.448750987e-01 -1.448750987e-01 5.72 -1.398361763e-01 -1.398361763e-01 5.74 -1.350113510e-01 -1.350113510e-01 5.76 -1.303851523e-01 -1.303851523e-01 5.78 -1.259420509e-01 -1.259420509e-01 5.80 -1.216667113e-01 -1.216667113e-01 5.82 -1.175441880e-01 -1.175441880e-01 5.84 -1.135600680e-01 -1.135600680e-01 5.86 -1.097005674e-01 -1.097005674e-01 5.88 -1.059525911e-01 -1.059525911e-01 5.90 -1.023037663e-01 -1.023037663e-01 5.92 -9.874245816e-02 -9.874245816e-02 5.94 -9.525777783e-02 -9.525777783e-02 5.96 -9.183958991e-02 -9.183958991e-02 5.98 -8.847852583e-02 -8.847852583e-02 6.00 -8.516600854e-02 -8.516600854e-02