# 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 = AuFeTi2 # 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 2.781906849e+02 2.781906849e+02 1.30 2.568640297e+02 2.568640297e+02 1.32 2.371840705e+02 2.371840705e+02 1.34 2.190148927e+02 2.190148927e+02 1.36 2.022308238e+02 2.022308238e+02 1.38 1.867171857e+02 1.867171857e+02 1.40 1.723704061e+02 1.723704061e+02 1.42 1.590970015e+02 1.590970015e+02 1.44 1.468121573e+02 1.468121573e+02 1.46 1.354386223e+02 1.354386223e+02 1.48 1.249060323e+02 1.249060323e+02 1.50 1.151503941e+02 1.151503941e+02 1.52 1.061133894e+02 1.061133894e+02 1.54 9.774147865e+01 9.774147865e+01 1.56 8.998506510e+01 8.998506510e+01 1.58 8.279791057e+01 8.279791057e+01 1.60 7.613686686e+01 7.613686686e+01 1.62 6.996187396e+01 6.996187396e+01 1.64 6.423600625e+01 6.423600625e+01 1.66 5.892533630e+01 5.892533630e+01 1.68 5.399863883e+01 5.399863883e+01 1.70 4.942713345e+01 4.942713345e+01 1.72 4.518434442e+01 4.518434442e+01 1.74 4.124597584e+01 4.124597584e+01 1.76 3.758971746e+01 3.758971746e+01 1.78 3.419540904e+01 3.419540904e+01 1.80 3.105351821e+01 3.105351821e+01 1.82 2.814929845e+01 2.814929845e+01 1.84 2.546508470e+01 2.546508470e+01 1.86 2.298463739e+01 2.298463739e+01 1.88 2.069298547e+01 2.069298547e+01 1.90 1.857628143e+01 1.857628143e+01 1.92 1.662165622e+01 1.662165622e+01 1.94 1.481709516e+01 1.481709516e+01 1.96 1.315135347e+01 1.315135347e+01 1.98 1.161391482e+01 1.161391482e+01 2.00 1.019497939e+01 1.019497939e+01 2.02 8.885459451e+00 8.885459451e+00 2.04 7.676969398e+00 7.676969398e+00 2.06 6.561812303e+00 6.561812303e+00 2.08 5.532968873e+00 5.532968873e+00 2.10 4.584082321e+00 4.584082321e+00 2.12 3.709419977e+00 3.709419977e+00 2.14 2.903801361e+00 2.903801361e+00 2.16 2.162502314e+00 2.162502314e+00 2.18 1.481156328e+00 1.481156328e+00 2.20 8.556713718e-01 8.556713718e-01 2.22 2.821705639e-01 2.821705639e-01 2.24 -2.430393565e-01 -2.430393565e-01 2.26 -7.234723558e-01 -7.234723558e-01 2.28 -1.162446741e+00 -1.162446741e+00 2.30 -1.563060218e+00 -1.563060218e+00 2.32 -1.928172314e+00 -1.928172314e+00 2.34 -2.260400534e+00 -2.260400534e+00 2.36 -2.562130872e+00 -2.562130872e+00 2.38 -2.835537807e+00 -2.835537807e+00 2.40 -3.082610213e+00 -3.082610213e+00 2.42 -3.305180165e+00 -3.305180165e+00 2.44 -3.504951095e+00 -3.504951095e+00 2.46 -3.683522859e+00 -3.683522859e+00 2.48 -3.842411190e+00 -3.842411190e+00 2.50 -3.983060488e+00 -3.983060488e+00 2.52 -4.106849717e+00 -4.106849717e+00 2.54 -4.215092372e+00 -4.215092372e+00 2.56 -4.309032650e+00 -4.309032650e+00 2.58 -4.389840183e+00 -4.389840183e+00 2.60 -4.458604856e+00 -4.458604856e+00 2.62 -4.516416748e+00 -4.516416748e+00 2.64 -4.564197824e+00 -4.564197824e+00 2.66 -4.602642930e+00 -4.602642930e+00 2.68 -4.632392863e+00 -4.632392863e+00 2.70 -4.654031953e+00 -4.654031953e+00 2.72 -4.668089926e+00 -4.668089926e+00 2.74 -4.675047331e+00 -4.675047331e+00 2.76 -4.675337969e+00 -4.675337969e+00 2.78 -4.669224429e+00 -4.669224429e+00 2.80 -4.656898918e+00 -4.656898918e+00 2.82 -4.638462071e+00 -4.638462071e+00 2.84 -4.614025100e+00 -4.614025100e+00 2.86 -4.583765186e+00 -4.583765186e+00 2.88 -4.547911368e+00 -4.547911368e+00 2.90 -4.506744573e+00 -4.506744573e+00 2.92 -4.460590882e+00 -4.460590882e+00 2.94 -4.409811312e+00 -4.409811312e+00 2.96 -4.354786520e+00 -4.354786520e+00 2.98 -4.295916648e+00 -4.295916648e+00 3.00 -4.233618708e+00 -4.233618708e+00 3.02 -4.168300832e+00 -4.168300832e+00 3.04 -4.100285837e+00 -4.100285837e+00 3.06 -4.029883280e+00 -4.029883280e+00 3.08 -3.957406074e+00 -3.957406074e+00 3.10 -3.883155672e+00 -3.883155672e+00 3.12 -3.807410578e+00 -3.807410578e+00 3.14 -3.730421439e+00 -3.730421439e+00 3.16 -3.652411978e+00 -3.652411978e+00 3.18 -3.573585497e+00 -3.573585497e+00 3.20 -3.494133287e+00 -3.494133287e+00 3.22 -3.414242800e+00 -3.414242800e+00 3.24 -3.334103609e+00 -3.334103609e+00 3.26 -3.253910180e+00 -3.253910180e+00 3.28 -3.173861310e+00 -3.173861310e+00 3.30 -3.094156728e+00 -3.094156728e+00 3.32 -3.014991741e+00 -3.014991741e+00 3.34 -2.936551082e+00 -2.936551082e+00 3.36 -2.859003074e+00 -2.859003074e+00 3.38 -2.782495132e+00 -2.782495132e+00 3.40 -2.707151298e+00 -2.707151298e+00 3.42 -2.633072314e+00 -2.633072314e+00 3.44 -2.560337719e+00 -2.560337719e+00 3.46 -2.489010103e+00 -2.489010103e+00 3.48 -2.419140209e+00 -2.419140209e+00 3.50 -2.350772014e+00 -2.350772014e+00 3.52 -2.283946660e+00 -2.283946660e+00 3.54 -2.218704302e+00 -2.218704302e+00 3.56 -2.155083442e+00 -2.155083442e+00 3.58 -2.093117995e+00 -2.093117995e+00 3.60 -2.032832962e+00 -2.032832962e+00 3.62 -1.974240077e+00 -1.974240077e+00 3.64 -1.917334684e+00 -1.917334684e+00 3.66 -1.862094717e+00 -1.862094717e+00 3.68 -1.808481908e+00 -1.808481908e+00 3.70 -1.756444797e+00 -1.756444797e+00 3.72 -1.705922720e+00 -1.705922720e+00 3.74 -1.656849975e+00 -1.656849975e+00 3.76 -1.609159536e+00 -1.609159536e+00 3.78 -1.562785960e+00 -1.562785960e+00 3.80 -1.517667412e+00 -1.517667412e+00 3.82 -1.473746864e+00 -1.473746864e+00 3.84 -1.430972630e+00 -1.430972630e+00 3.86 -1.389298411e+00 -1.389298411e+00 3.88 -1.348683019e+00 -1.348683019e+00 3.90 -1.309089890e+00 -1.309089890e+00 3.92 -1.270486450e+00 -1.270486450e+00 3.94 -1.232843707e+00 -1.232843707e+00 3.96 -1.196135312e+00 -1.196135312e+00 3.98 -1.160337231e+00 -1.160337231e+00 4.00 -1.125427189e+00 -1.125427189e+00 4.02 -1.091384266e+00 -1.091384266e+00 4.04 -1.058188572e+00 -1.058188572e+00 4.06 -1.025821040e+00 -1.025821040e+00 4.08 -9.942633026e-01 -9.942633026e-01 4.10 -9.634975485e-01 -9.634975485e-01 4.12 -9.335071388e-01 -9.335071388e-01 4.14 -9.042758957e-01 -9.042758957e-01 4.16 -8.757889089e-01 -8.757889089e-01 4.18 -8.480326016e-01 -8.480326016e-01 4.20 -8.209949443e-01 -8.209949443e-01 4.22 -7.946656151e-01 -7.946656151e-01 4.24 -7.690360609e-01 -7.690360609e-01 4.26 -7.440994222e-01 -7.440994222e-01 4.28 -7.198502941e-01 -7.198502941e-01 4.30 -6.962843169e-01 -6.962843169e-01 4.32 -6.733976143e-01 -6.733976143e-01 4.34 -6.511861256e-01 -6.511861256e-01 4.36 -6.296448973e-01 -6.296448973e-01 4.38 -6.087674132e-01 -6.087674132e-01 4.40 -5.885450374e-01 -5.885450374e-01 4.42 -5.689666297e-01 -5.689666297e-01 4.44 -5.500183637e-01 -5.500183637e-01 4.46 -5.316837513e-01 -5.316837513e-01 4.48 -5.139438451e-01 -5.139438451e-01 4.50 -4.967775776e-01 -4.967775776e-01 4.52 -4.801621815e-01 -4.801621815e-01 4.54 -4.640736425e-01 -4.640736425e-01 4.56 -4.484871418e-01 -4.484871418e-01 4.58 -4.333774606e-01 -4.333774606e-01 4.60 -4.187193314e-01 -4.187193314e-01 4.62 -4.044877330e-01 -4.044877330e-01 4.64 -3.906581365e-01 -3.906581365e-01 4.66 -3.772067142e-01 -3.772067142e-01 4.68 -3.641105267e-01 -3.641105267e-01 4.70 -3.513477050e-01 -3.513477050e-01 4.72 -3.388976422e-01 -3.388976422e-01 4.74 -3.267412078e-01 -3.267412078e-01 4.76 -3.148609911e-01 -3.148609911e-01 4.78 -3.032415790e-01 -3.032415790e-01 4.80 -2.918697808e-01 -2.918697808e-01 4.82 -2.807352999e-01 -2.807352999e-01 4.84 -2.698305198e-01 -2.698305198e-01 4.86 -2.591511818e-01 -2.591511818e-01 4.88 -2.486965208e-01 -2.486965208e-01 4.90 -2.384693966e-01 -2.384693966e-01 4.92 -2.284762752e-01 -2.284762752e-01 4.94 -2.187270212e-01 -2.187270212e-01 4.96 -2.092344715e-01 -2.092344715e-01 4.98 -2.000137791e-01 -2.000137791e-01 5.00 -1.910815435e-01 -1.910815435e-01 5.02 -1.824547701e-01 -1.824547701e-01 5.04 -1.741497334e-01 -1.741497334e-01 5.06 -1.661808380e-01 -1.661808380e-01 5.08 -1.585595799e-01 -1.585595799e-01 5.10 -1.512937069e-01 -1.512937069e-01 5.12 -1.443866472e-01 -1.443866472e-01 5.14 -1.378372524e-01 -1.378372524e-01 5.16 -1.316398530e-01 -1.316398530e-01 5.18 -1.257845888e-01 -1.257845888e-01 5.20 -1.202577483e-01 -1.202577483e-01 5.22 -1.150425752e-01 -1.150425752e-01 5.24 -1.101207376e-01 -1.101207376e-01 5.26 -1.054722877e-01 -1.054722877e-01 5.28 -1.010763592e-01 -1.010763592e-01 5.30 -9.691179670e-02 -9.691179670e-02 5.32 -9.295766033e-02 -9.295766033e-02 5.34 -8.919360947e-02 -8.919360947e-02 5.36 -8.560017451e-02 -8.560017451e-02 5.38 -8.215893469e-02 -8.215893469e-02 5.40 -7.885262190e-02 -7.885262190e-02 5.42 -7.566517048e-02 -7.566517048e-02 5.44 -7.258173198e-02 -7.258173198e-02 5.46 -6.958867126e-02 -6.958867126e-02 5.48 -6.667355765e-02 -6.667355765e-02 5.50 -6.382516218e-02 -6.382516218e-02 5.52 -6.103346864e-02 -6.103346864e-02 5.54 -5.828970380e-02 -5.828970380e-02 5.56 -5.558638881e-02 -5.558638881e-02 5.58 -5.291741090e-02 -5.291741090e-02 5.60 -5.027811111e-02 -5.027811111e-02 5.62 -4.766538052e-02 -4.766538052e-02 5.64 -4.507775391e-02 -4.507775391e-02 5.66 -4.251548662e-02 -4.251548662e-02 5.68 -3.998059851e-02 -3.998059851e-02 5.70 -3.747686734e-02 -3.747686734e-02 5.72 -3.500975550e-02 -3.500975550e-02 5.74 -3.258625715e-02 -3.258625715e-02 5.76 -3.021465901e-02 -3.021465901e-02 5.78 -2.790421687e-02 -2.790421687e-02 5.80 -2.566475662e-02 -2.566475662e-02 5.82 -2.350622478e-02 -2.350622478e-02 5.84 -2.143821666e-02 -2.143821666e-02 5.86 -1.946951590e-02 -1.946951590e-02 5.88 -1.760768154e-02 -1.760768154e-02 5.90 -1.585871371e-02 -1.585871371e-02 5.92 -1.422668824e-02 -1.422668824e-02 5.94 -1.271359190e-02 -1.271359190e-02 5.96 -1.132003313e-02 -1.132003313e-02 5.98 -1.004476577e-02 -1.004476577e-02 6.00 -8.884840235e-03 -8.884840235e-03