# 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 = AlMoTi2 # 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 2.215238104e+02 2.215238104e+02 1.30 2.054103480e+02 2.054103480e+02 1.32 1.904902950e+02 1.904902950e+02 1.34 1.766682147e+02 1.766682147e+02 1.36 1.638552652e+02 1.638552652e+02 1.38 1.519697140e+02 1.519697140e+02 1.40 1.409367665e+02 1.409367665e+02 1.42 1.306878779e+02 1.306878779e+02 1.44 1.211601549e+02 1.211601549e+02 1.46 1.122961132e+02 1.122961132e+02 1.48 1.040437333e+02 1.040437333e+02 1.50 9.635663528e+01 9.635663528e+01 1.52 8.919396689e+01 8.919396689e+01 1.54 8.251976966e+01 8.251976966e+01 1.56 7.630203805e+01 7.630203805e+01 1.58 7.051173847e+01 7.051173847e+01 1.60 6.512190227e+01 6.512190227e+01 1.62 6.010691133e+01 6.010691133e+01 1.64 5.544205190e+01 5.544205190e+01 1.66 5.110330128e+01 5.110330128e+01 1.68 4.706734744e+01 4.706734744e+01 1.70 4.331187172e+01 4.331187172e+01 1.72 3.981596192e+01 3.981596192e+01 1.74 3.656037942e+01 3.656037942e+01 1.76 3.352752338e+01 3.352752338e+01 1.78 3.070120745e+01 3.070120745e+01 1.80 2.806659685e+01 2.806659685e+01 1.82 2.561171038e+01 2.561171038e+01 1.84 2.332509321e+01 2.332509321e+01 1.86 2.119660512e+01 2.119660512e+01 1.88 1.921645948e+01 1.921645948e+01 1.90 1.737504262e+01 1.737504262e+01 1.92 1.566334953e+01 1.566334953e+01 1.94 1.407278537e+01 1.407278537e+01 1.96 1.259509976e+01 1.259509976e+01 1.98 1.122244097e+01 1.122244097e+01 2.00 9.947449601e+00 9.947449601e+00 2.02 8.763307117e+00 8.763307117e+00 2.04 7.663709365e+00 7.663709365e+00 2.06 6.642792502e+00 6.642792502e+00 2.08 5.695060394e+00 5.695060394e+00 2.10 4.815345330e+00 4.815345330e+00 2.12 3.998801493e+00 3.998801493e+00 2.14 3.240913825e+00 3.240913825e+00 2.16 2.537507478e+00 2.537507478e+00 2.18 1.884748918e+00 1.884748918e+00 2.20 1.279133721e+00 1.279133721e+00 2.22 7.174586757e-01 7.174586757e-01 2.24 1.967844736e-01 1.967844736e-01 2.26 -2.855996313e-01 -2.855996313e-01 2.28 -7.321996434e-01 -7.321996434e-01 2.30 -1.145326655e+00 -1.145326655e+00 2.32 -1.527100429e+00 -1.527100429e+00 2.34 -1.879452108e+00 -1.879452108e+00 2.36 -2.204133861e+00 -2.204133861e+00 2.38 -2.502737935e+00 -2.502737935e+00 2.40 -2.776726102e+00 -2.776726102e+00 2.42 -3.027465431e+00 -3.027465431e+00 2.44 -3.256262895e+00 -3.256262895e+00 2.46 -3.464392774e+00 -3.464392774e+00 2.48 -3.653112643e+00 -3.653112643e+00 2.50 -3.823667374e+00 -3.823667374e+00 2.52 -3.977283092e+00 -3.977283092e+00 2.54 -4.115155206e+00 -4.115155206e+00 2.56 -4.238435359e+00 -4.238435359e+00 2.58 -4.348220518e+00 -4.348220518e+00 2.60 -4.445544261e+00 -4.445544261e+00 2.62 -4.531348671e+00 -4.531348671e+00 2.64 -4.606415586e+00 -4.606415586e+00 2.66 -4.671605498e+00 -4.671605498e+00 2.68 -4.727698612e+00 -4.727698612e+00 2.70 -4.775368011e+00 -4.775368011e+00 2.72 -4.815277073e+00 -4.815277073e+00 2.74 -4.847908154e+00 -4.847908154e+00 2.76 -4.873615236e+00 -4.873615236e+00 2.78 -4.892732675e+00 -4.892732675e+00 2.80 -4.905580711e+00 -4.905580711e+00 2.82 -4.912409208e+00 -4.912409208e+00 2.84 -4.913371171e+00 -4.913371171e+00 2.86 -4.908630959e+00 -4.908630959e+00 2.88 -4.898422437e+00 -4.898422437e+00 2.90 -4.883749767e+00 -4.883749767e+00 2.92 -4.864603237e+00 -4.864603237e+00 2.94 -4.840626760e+00 -4.840626760e+00 2.96 -4.811575099e+00 -4.811575099e+00 2.98 -4.777316050e+00 -4.777316050e+00 3.00 -4.737834151e+00 -4.737834151e+00 3.02 -4.693240473e+00 -4.693240473e+00 3.04 -4.643787023e+00 -4.643787023e+00 3.06 -4.589814891e+00 -4.589814891e+00 3.08 -4.531715904e+00 -4.531715904e+00 3.10 -4.469900060e+00 -4.469900060e+00 3.12 -4.404763758e+00 -4.404763758e+00 3.14 -4.336665744e+00 -4.336665744e+00 3.16 -4.265912814e+00 -4.265912814e+00 3.18 -4.192757069e+00 -4.192757069e+00 3.20 -4.117401201e+00 -4.117401201e+00 3.22 -4.040009154e+00 -4.040009154e+00 3.24 -3.960719132e+00 -3.960719132e+00 3.26 -3.879656776e+00 -3.879656776e+00 3.28 -3.796947274e+00 -3.796947274e+00 3.30 -3.712725786e+00 -3.712725786e+00 3.32 -3.627145943e+00 -3.627145943e+00 3.34 -3.540386295e+00 -3.540386295e+00 3.36 -3.452654602e+00 -3.452654602e+00 3.38 -3.364189799e+00 -3.364189799e+00 3.40 -3.275261523e+00 -3.275261523e+00 3.42 -3.186167341e+00 -3.186167341e+00 3.44 -3.097227420e+00 -3.097227420e+00 3.46 -3.008777532e+00 -3.008777532e+00 3.48 -2.921160380e+00 -2.921160380e+00 3.50 -2.834715886e+00 -2.834715886e+00 3.52 -2.749770845e+00 -2.749770845e+00 3.54 -2.666628357e+00 -2.666628357e+00 3.56 -2.585557528e+00 -2.585557528e+00 3.58 -2.506784157e+00 -2.506784157e+00 3.60 -2.430483326e+00 -2.430483326e+00 3.62 -2.356774888e+00 -2.356774888e+00 3.64 -2.285722584e+00 -2.285722584e+00 3.66 -2.217336976e+00 -2.217336976e+00 3.68 -2.151581710e+00 -2.151581710e+00 3.70 -2.088382048e+00 -2.088382048e+00 3.72 -2.027634418e+00 -2.027634418e+00 3.74 -1.969215784e+00 -1.969215784e+00 3.76 -1.912991989e+00 -1.912991989e+00 3.78 -1.858824584e+00 -1.858824584e+00 3.80 -1.806576035e+00 -1.806576035e+00 3.82 -1.756113407e+00 -1.756113407e+00 3.84 -1.707310757e+00 -1.707310757e+00 3.86 -1.660050520e+00 -1.660050520e+00 3.88 -1.614224143e+00 -1.614224143e+00 3.90 -1.569732190e+00 -1.569732190e+00 3.92 -1.526484041e+00 -1.526484041e+00 3.94 -1.484397633e+00 -1.484397633e+00 3.96 -1.443398502e+00 -1.443398502e+00 3.98 -1.403419354e+00 -1.403419354e+00 4.00 -1.364399311e+00 -1.364399311e+00 4.02 -1.326283260e+00 -1.326283260e+00 4.04 -1.289021281e+00 -1.289021281e+00 4.06 -1.252568191e+00 -1.252568191e+00 4.08 -1.216883251e+00 -1.216883251e+00 4.10 -1.181929901e+00 -1.181929901e+00 4.12 -1.147676469e+00 -1.147676469e+00 4.14 -1.114095472e+00 -1.114095472e+00 4.16 -1.081164747e+00 -1.081164747e+00 4.18 -1.048867817e+00 -1.048867817e+00 4.20 -1.017194437e+00 -1.017194437e+00 4.22 -9.861410402e-01 -9.861410402e-01 4.24 -9.557109251e-01 -9.557109251e-01 4.26 -9.259140638e-01 -9.259140638e-01 4.28 -8.967664212e-01 -8.967664212e-01 4.30 -8.682887388e-01 -8.682887388e-01 4.32 -8.405048102e-01 -8.405048102e-01 4.34 -8.134393662e-01 -8.134393662e-01 4.36 -7.871157609e-01 -7.871157609e-01 4.38 -7.615536983e-01 -7.615536983e-01 4.40 -7.367672428e-01 -7.367672428e-01 4.42 -7.127633142e-01 -7.127633142e-01 4.44 -6.895407923e-01 -6.895407923e-01 4.46 -6.670902616e-01 -6.670902616e-01 4.48 -6.453943404e-01 -6.453943404e-01 4.50 -6.244284747e-01 -6.244284747e-01 4.52 -6.041620404e-01 -6.041620404e-01 4.54 -5.845596015e-01 -5.845596015e-01 4.56 -5.655821882e-01 -5.655821882e-01 4.58 -5.471884976e-01 -5.471884976e-01 4.60 -5.293359579e-01 -5.293359579e-01 4.62 -5.119816354e-01 -5.119816354e-01 4.64 -4.950829874e-01 -4.950829874e-01 4.66 -4.785984898e-01 -4.785984898e-01 4.68 -4.624881742e-01 -4.624881742e-01 4.70 -4.467141153e-01 -4.467141153e-01 4.72 -4.312409077e-01 -4.312409077e-01 4.74 -4.160361631e-01 -4.160361631e-01 4.76 -4.010710509e-01 -4.010710509e-01 4.78 -3.863208910e-01 -3.863208910e-01 4.80 -3.717657058e-01 -3.717657058e-01 4.82 -3.573912422e-01 -3.573912422e-01 4.84 -3.431890503e-01 -3.431890503e-01 4.86 -3.291574431e-01 -3.291574431e-01 4.88 -3.153018069e-01 -3.153018069e-01 4.90 -3.016347846e-01 -3.016347846e-01 4.92 -2.881761451e-01 -2.881761451e-01 4.94 -2.749522747e-01 -2.749522747e-01 4.96 -2.619952485e-01 -2.619952485e-01 4.98 -2.493414840e-01 -2.493414840e-01 5.00 -2.370300239e-01 -2.370300239e-01 5.02 -2.251005500e-01 -2.251005500e-01 5.04 -2.135912718e-01 -2.135912718e-01 5.06 -2.025368610e-01 -2.025368610e-01 5.08 -1.919666098e-01 -1.919666098e-01 5.10 -1.819029680e-01 -1.819029680e-01 5.12 -1.723605690e-01 -1.723605690e-01 5.14 -1.633457978e-01 -1.633457978e-01 5.16 -1.548568879e-01 -1.548568879e-01 5.18 -1.468844820e-01 -1.468844820e-01 5.20 -1.394125487e-01 -1.394125487e-01 5.22 -1.324195294e-01 -1.324195294e-01 5.24 -1.258795900e-01 -1.258795900e-01 5.26 -1.197638724e-01 -1.197638724e-01 5.28 -1.140416560e-01 -1.140416560e-01 5.30 -1.086812838e-01 -1.086812838e-01 5.32 -1.036507551e-01 -1.036507551e-01 5.34 -9.891947168e-02 -9.891947168e-02 5.36 -9.445793551e-02 -9.445793551e-02 5.38 -9.023801110e-02 -9.023801110e-02 5.40 -8.623320142e-02 -8.623320142e-02 5.42 -8.241880701e-02 -8.241880701e-02 5.44 -7.877200136e-02 -7.877200136e-02 5.46 -7.527185128e-02 -7.527185128e-02 5.48 -7.189930633e-02 -7.189930633e-02 5.50 -6.863717652e-02 -6.863717652e-02 5.52 -6.547011250e-02 -6.547011250e-02 5.54 -6.238459847e-02 -6.238459847e-02 5.56 -5.936896340e-02 -5.936896340e-02 5.58 -5.641341206e-02 -5.641341206e-02 5.60 -5.351007322e-02 -5.351007322e-02 5.62 -5.065305834e-02 -5.065305834e-02 5.64 -4.783851963e-02 -4.783851963e-02 5.66 -4.506469267e-02 -4.506469267e-02 5.68 -4.233191122e-02 -4.233191122e-02 5.70 -3.964256823e-02 -3.964256823e-02 5.72 -3.700101084e-02 -3.700101084e-02 5.74 -3.441335574e-02 -3.441335574e-02 5.76 -3.188721713e-02 -3.188721713e-02 5.78 -2.943135020e-02 -2.943135020e-02 5.80 -2.705521267e-02 -2.705521267e-02 5.82 -2.476848368e-02 -2.476848368e-02 5.84 -2.258056063e-02 -2.258056063e-02 5.86 -2.050006783e-02 -2.050006783e-02 5.88 -1.853441643e-02 -1.853441643e-02 5.90 -1.668944781e-02 -1.668944781e-02 5.92 -1.496907271e-02 -1.496907271e-02 5.94 -1.337510397e-02 -1.337510397e-02 5.96 -1.190784786e-02 -1.190784786e-02 5.98 -1.056571755e-02 -1.056571755e-02 6.00 -9.345393511e-03 -9.345393511e-03