# 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 = AlTa2Ti # 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 2.734731572e+02 2.734731572e+02 1.30 2.540126382e+02 2.540126382e+02 1.32 2.359749889e+02 2.359749889e+02 1.34 2.192450920e+02 2.192450920e+02 1.36 2.037173477e+02 2.037173477e+02 1.38 1.892959828e+02 1.892959828e+02 1.40 1.758945462e+02 1.758945462e+02 1.42 1.634346777e+02 1.634346777e+02 1.44 1.518446221e+02 1.518446221e+02 1.46 1.410580764e+02 1.410580764e+02 1.48 1.310136389e+02 1.310136389e+02 1.50 1.216546232e+02 1.216546232e+02 1.52 1.129288406e+02 1.129288406e+02 1.54 1.047882799e+02 1.047882799e+02 1.56 9.718888988e+01 9.718888988e+01 1.58 9.009054132e+01 9.009054132e+01 1.60 8.345702040e+01 8.345702040e+01 1.62 7.725587523e+01 7.725587523e+01 1.64 7.145805099e+01 7.145805099e+01 1.66 6.603736075e+01 6.603736075e+01 1.68 6.096991907e+01 6.096991907e+01 1.70 5.623366157e+01 5.623366157e+01 1.72 5.180798531e+01 5.180798531e+01 1.74 4.767347341e+01 4.767347341e+01 1.76 4.381167827e+01 4.381167827e+01 1.78 4.020498699e+01 4.020498699e+01 1.80 3.683659791e+01 3.683659791e+01 1.82 3.369058596e+01 3.369058596e+01 1.84 3.075198455e+01 3.075198455e+01 1.86 2.800681971e+01 2.800681971e+01 1.88 2.544627368e+01 2.544627368e+01 1.90 2.306331313e+01 2.306331313e+01 1.92 2.084595900e+01 2.084595900e+01 1.94 1.878303917e+01 1.878303917e+01 1.96 1.686433544e+01 1.686433544e+01 1.98 1.508139096e+01 1.508139096e+01 2.00 1.342486467e+01 1.342486467e+01 2.02 1.188583116e+01 1.188583116e+01 2.04 1.045595762e+01 1.045595762e+01 2.06 9.127513277e+00 9.127513277e+00 2.08 7.893392801e+00 7.893392801e+00 2.10 6.747132420e+00 6.747132420e+00 2.12 5.682894719e+00 5.682894719e+00 2.14 4.695414540e+00 4.695414540e+00 2.16 3.779918277e+00 3.779918277e+00 2.18 2.932036187e+00 2.932036187e+00 2.20 2.147721585e+00 2.147721585e+00 2.22 1.423180020e+00 1.423180020e+00 2.24 7.548069265e-01 7.548069265e-01 2.26 1.391327065e-01 1.391327065e-01 2.28 -4.272221099e-01 -4.272221099e-01 2.30 -9.475757394e-01 -9.475757394e-01 2.32 -1.425192541e+00 -1.425192541e+00 2.34 -1.863264854e+00 -1.863264854e+00 2.36 -2.264872968e+00 -2.264872968e+00 2.38 -2.632932721e+00 -2.632932721e+00 2.40 -2.970145239e+00 -2.970145239e+00 2.42 -3.278961813e+00 -3.278961813e+00 2.44 -3.561571217e+00 -3.561571217e+00 2.46 -3.819910280e+00 -3.819910280e+00 2.48 -4.055692385e+00 -4.055692385e+00 2.50 -4.270445952e+00 -4.270445952e+00 2.52 -4.465555288e+00 -4.465555288e+00 2.54 -4.642298560e+00 -4.642298560e+00 2.56 -4.801879876e+00 -4.801879876e+00 2.58 -4.945447545e+00 -4.945447545e+00 2.60 -5.073943041e+00 -5.073943041e+00 2.62 -5.188511075e+00 -5.188511075e+00 2.64 -5.290351239e+00 -5.290351239e+00 2.66 -5.380552212e+00 -5.380552212e+00 2.68 -5.460076149e+00 -5.460076149e+00 2.70 -5.529751623e+00 -5.529751623e+00 2.72 -5.590278550e+00 -5.590278550e+00 2.74 -5.642243065e+00 -5.642243065e+00 2.76 -5.686096261e+00 -5.686096261e+00 2.78 -5.721959967e+00 -5.721959967e+00 2.80 -5.749865417e+00 -5.749865417e+00 2.82 -5.769880301e+00 -5.769880301e+00 2.84 -5.782104315e+00 -5.782104315e+00 2.86 -5.786665898e+00 -5.786665898e+00 2.88 -5.783720471e+00 -5.783720471e+00 2.90 -5.773453889e+00 -5.773453889e+00 2.92 -5.756113445e+00 -5.756113445e+00 2.94 -5.731912809e+00 -5.731912809e+00 2.96 -5.701082021e+00 -5.701082021e+00 2.98 -5.663885904e+00 -5.663885904e+00 3.00 -5.620622050e+00 -5.620622050e+00 3.02 -5.571616207e+00 -5.571616207e+00 3.04 -5.517213866e+00 -5.517213866e+00 3.06 -5.457934905e+00 -5.457934905e+00 3.08 -5.394689014e+00 -5.394689014e+00 3.10 -5.327590966e+00 -5.327590966e+00 3.12 -5.256636862e+00 -5.256636862e+00 3.14 -5.181836006e+00 -5.181836006e+00 3.16 -5.103231953e+00 -5.103231953e+00 3.18 -5.020909259e+00 -5.020909259e+00 3.20 -4.935002758e+00 -4.935002758e+00 3.22 -4.845707012e+00 -4.845707012e+00 3.24 -4.753287205e+00 -4.753287205e+00 3.26 -4.658086678e+00 -4.658086678e+00 3.28 -4.560511616e+00 -4.560511616e+00 3.30 -4.461019184e+00 -4.461019184e+00 3.32 -4.360100937e+00 -4.360100937e+00 3.34 -4.258261159e+00 -4.258261159e+00 3.36 -4.155992418e+00 -4.155992418e+00 3.38 -4.053751171e+00 -4.053751171e+00 3.40 -3.951936253e+00 -3.951936253e+00 3.42 -3.850872678e+00 -3.850872678e+00 3.44 -3.750802040e+00 -3.750802040e+00 3.46 -3.651880134e+00 -3.651880134e+00 3.48 -3.554180986e+00 -3.554180986e+00 3.50 -3.457705981e+00 -3.457705981e+00 3.52 -3.362396335e+00 -3.362396335e+00 3.54 -3.268147143e+00 -3.268147143e+00 3.56 -3.174821585e+00 -3.174821585e+00 3.58 -3.082264393e+00 -3.082264393e+00 3.60 -2.990314248e+00 -2.990314248e+00 3.62 -2.898815224e+00 -2.898815224e+00 3.64 -2.807627609e+00 -2.807627609e+00 3.66 -2.716638342e+00 -2.716638342e+00 3.68 -2.625771077e+00 -2.625771077e+00 3.70 -2.534995496e+00 -2.534995496e+00 3.72 -2.444335221e+00 -2.444335221e+00 3.74 -2.353873484e+00 -2.353873484e+00 3.76 -2.263755714e+00 -2.263755714e+00 3.78 -2.174188320e+00 -2.174188320e+00 3.80 -2.085433259e+00 -2.085433259e+00 3.82 -1.997798368e+00 -1.997798368e+00 3.84 -1.911623898e+00 -1.911623898e+00 3.86 -1.827266196e+00 -1.827266196e+00 3.88 -1.745079828e+00 -1.745079828e+00 3.90 -1.665399706e+00 -1.665399706e+00 3.92 -1.588524755e+00 -1.588524755e+00 3.94 -1.514704626e+00 -1.514704626e+00 3.96 -1.444130047e+00 -1.444130047e+00 3.98 -1.376927818e+00 -1.376927818e+00 4.00 -1.313160000e+00 -1.313160000e+00 4.02 -1.252827004e+00 -1.252827004e+00 4.04 -1.195873779e+00 -1.195873779e+00 4.06 -1.142198161e+00 -1.142198161e+00 4.08 -1.091660459e+00 -1.091660459e+00 4.10 -1.044093331e+00 -1.044093331e+00 4.12 -9.993118620e-01 -9.993118620e-01 4.14 -9.571218503e-01 -9.571218503e-01 4.16 -9.173280435e-01 -9.173280435e-01 4.18 -8.797405421e-01 -8.797405421e-01 4.20 -8.441799581e-01 -8.441799581e-01 4.22 -8.104811994e-01 -8.104811994e-01 4.24 -7.784959063e-01 -7.784959063e-01 4.26 -7.480935963e-01 -7.480935963e-01 4.28 -7.191616052e-01 -7.191616052e-01 4.30 -6.916039557e-01 -6.916039557e-01 4.32 -6.653393409e-01 -6.653393409e-01 4.34 -6.402984683e-01 -6.402984683e-01 4.36 -6.164210581e-01 -6.164210581e-01 4.38 -5.936528079e-01 -5.936528079e-01 4.40 -5.719426157e-01 -5.719426157e-01 4.42 -5.512402944e-01 -5.512402944e-01 4.44 -5.314949189e-01 -5.314949189e-01 4.46 -5.126538478e-01 -5.126538478e-01 4.48 -4.946623683e-01 -4.946623683e-01 4.50 -4.774638481e-01 -4.774638481e-01 4.52 -4.610002428e-01 -4.610002428e-01 4.54 -4.452128057e-01 -4.452128057e-01 4.56 -4.300428680e-01 -4.300428680e-01 4.58 -4.154325902e-01 -4.154325902e-01 4.60 -4.013256275e-01 -4.013256275e-01 4.62 -3.876676867e-01 -3.876676867e-01 4.64 -3.744069661e-01 -3.744069661e-01 4.66 -3.614942692e-01 -3.614942692e-01 4.68 -3.488839482e-01 -3.488839482e-01 4.70 -3.365339052e-01 -3.365339052e-01 4.72 -3.244057202e-01 -3.244057202e-01 4.74 -3.124650576e-01 -3.124650576e-01 4.76 -3.006821131e-01 -3.006821131e-01 4.78 -2.890321078e-01 -2.890321078e-01 4.80 -2.774957763e-01 -2.774957763e-01 4.82 -2.660601143e-01 -2.660601143e-01 4.84 -2.547185856e-01 -2.547185856e-01 4.86 -2.434717616e-01 -2.434717616e-01 4.88 -2.323275189e-01 -2.323275189e-01 4.90 -2.213010479e-01 -2.213010479e-01 4.92 -2.104145440e-01 -2.104145440e-01 4.94 -1.996965282e-01 -1.996965282e-01 4.96 -1.891807709e-01 -1.891807709e-01 4.98 -1.789048458e-01 -1.789048458e-01 5.00 -1.689083766e-01 -1.689083766e-01 5.02 -1.592310841e-01 -1.592310841e-01 5.04 -1.499107819e-01 -1.499107819e-01 5.06 -1.409814794e-01 -1.409814794e-01 5.08 -1.324717027e-01 -1.324717027e-01 5.10 -1.244031752e-01 -1.244031752e-01 5.12 -1.167904214e-01 -1.167904214e-01 5.14 -1.096402282e-01 -1.096402282e-01 5.16 -1.029518038e-01 -1.029518038e-01 5.18 -9.671737287e-02 -9.671737287e-02 5.20 -9.092307181e-02 -9.092307181e-02 5.22 -8.555002746e-02 -8.555002746e-02 5.24 -8.057551291e-02 -8.057551291e-02 5.26 -7.597408612e-02 -7.597408612e-02 5.28 -7.171864143e-02 -7.171864143e-02 5.30 -6.778132822e-02 -6.778132822e-02 5.32 -6.413431298e-02 -6.413431298e-02 5.34 -6.075038033e-02 -6.075038033e-02 5.36 -5.760338137e-02 -5.760338137e-02 5.38 -5.466854687e-02 -5.466854687e-02 5.40 -5.192268761e-02 -5.192268761e-02 5.42 -4.934430384e-02 -4.934430384e-02 5.44 -4.691362642e-02 -4.691362642e-02 5.46 -4.461261377e-02 -4.461261377e-02 5.48 -4.242491782e-02 -4.242491782e-02 5.50 -4.033583492e-02 -4.033583492e-02 5.52 -3.833225286e-02 -3.833225286e-02 5.54 -3.640260225e-02 -3.640260225e-02 5.56 -3.453681705e-02 -3.453681705e-02 5.58 -3.272630767e-02 -3.272630767e-02 5.60 -3.096394609e-02 -3.096394609e-02 5.62 -2.924405647e-02 -2.924405647e-02 5.64 -2.756240967e-02 -2.756240967e-02 5.66 -2.591621253e-02 -2.591621253e-02 5.68 -2.430408234e-02 -2.430408234e-02 5.70 -2.272599625e-02 -2.272599625e-02 5.72 -2.118320613e-02 -2.118320613e-02 5.74 -1.967811102e-02 -1.967811102e-02 5.76 -1.821408312e-02 -1.821408312e-02 5.78 -1.679517315e-02 -1.679517315e-02 5.80 -1.542586265e-02 -1.542586265e-02 5.82 -1.411105390e-02 -1.411105390e-02 5.84 -1.285555909e-02 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