# 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 = AlCu2Ti # 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 1.219412023e+02 1.219412023e+02 1.30 1.126233541e+02 1.126233541e+02 1.32 1.040075637e+02 1.040075637e+02 1.34 9.603654570e+01 9.603654570e+01 1.36 8.865854666e+01 8.865854666e+01 1.38 8.182767024e+01 8.182767024e+01 1.40 7.550262996e+01 7.550262996e+01 1.42 6.964510576e+01 6.964510576e+01 1.44 6.421854419e+01 6.421854419e+01 1.46 5.918779777e+01 5.918779777e+01 1.48 5.451968541e+01 5.451968541e+01 1.50 5.018408772e+01 5.018408772e+01 1.52 4.615468083e+01 4.615468083e+01 1.54 4.240865130e+01 4.240865130e+01 1.56 3.892570935e+01 3.892570935e+01 1.58 3.568723279e+01 3.568723279e+01 1.60 3.267597382e+01 3.267597382e+01 1.62 2.987620513e+01 2.987620513e+01 1.64 2.727374278e+01 2.727374278e+01 1.66 2.485539188e+01 2.485539188e+01 1.68 2.260992012e+01 2.260992012e+01 1.70 2.052647496e+01 2.052647496e+01 1.72 1.859375804e+01 1.859375804e+01 1.74 1.680117127e+01 1.680117127e+01 1.76 1.513885761e+01 1.513885761e+01 1.78 1.359767267e+01 1.359767267e+01 1.80 1.216914693e+01 1.216914693e+01 1.82 1.084547880e+01 1.084547880e+01 1.84 9.619519118e+00 9.619519118e+00 1.86 8.484693021e+00 8.484693021e+00 1.88 7.434853520e+00 7.434853520e+00 1.90 6.464113825e+00 6.464113825e+00 1.92 5.566722467e+00 5.566722467e+00 1.94 4.737039703e+00 4.737039703e+00 1.96 3.969633884e+00 3.969633884e+00 1.98 3.259453841e+00 3.259453841e+00 2.00 2.601985958e+00 2.601985958e+00 2.02 1.993321650e+00 1.993321650e+00 2.04 1.430120127e+00 1.430120127e+00 2.06 9.095002116e-01 9.095002116e-01 2.08 4.289112781e-01 4.289112781e-01 2.10 -1.397827013e-02 -1.397827013e-02 2.12 -4.213603965e-01 -4.213603965e-01 2.14 -7.953386720e-01 -7.953386720e-01 2.16 -1.137958724e+00 -1.137958724e+00 2.18 -1.451223524e+00 -1.451223524e+00 2.20 -1.737096927e+00 -1.737096927e+00 2.22 -1.997499604e+00 -1.997499604e+00 2.24 -2.234300791e+00 -2.234300791e+00 2.26 -2.449309100e+00 -2.449309100e+00 2.28 -2.644263679e+00 -2.644263679e+00 2.30 -2.820822644e+00 -2.820822644e+00 2.32 -2.980543664e+00 -2.980543664e+00 2.34 -3.124852195e+00 -3.124852195e+00 2.36 -3.255005699e+00 -3.255005699e+00 2.38 -3.372069124e+00 -3.372069124e+00 2.40 -3.476917140e+00 -3.476917140e+00 2.42 -3.570265938e+00 -3.570265938e+00 2.44 -3.652724361e+00 -3.652724361e+00 2.46 -3.724896642e+00 -3.724896642e+00 2.48 -3.787311305e+00 -3.787311305e+00 2.50 -3.840475397e+00 -3.840475397e+00 2.52 -3.884943167e+00 -3.884943167e+00 2.54 -3.921314547e+00 -3.921314547e+00 2.56 -3.950227575e+00 -3.950227575e+00 2.58 -3.972347351e+00 -3.972347351e+00 2.60 -3.988351422e+00 -3.988351422e+00 2.62 -3.998878924e+00 -3.998878924e+00 2.64 -4.004500687e+00 -4.004500687e+00 2.66 -4.006320054e+00 -4.006320054e+00 2.68 -4.005076404e+00 -4.005076404e+00 2.70 -4.001063718e+00 -4.001063718e+00 2.72 -3.994010217e+00 -3.994010217e+00 2.74 -3.983722953e+00 -3.983722953e+00 2.76 -3.970077946e+00 -3.970077946e+00 2.78 -3.953001133e+00 -3.953001133e+00 2.80 -3.932452202e+00 -3.932452202e+00 2.82 -3.908416965e+00 -3.908416965e+00 2.84 -3.880911890e+00 -3.880911890e+00 2.86 -3.849993323e+00 -3.849993323e+00 2.88 -3.815755622e+00 -3.815755622e+00 2.90 -3.778308969e+00 -3.778308969e+00 2.92 -3.737785016e+00 -3.737785016e+00 2.94 -3.694343247e+00 -3.694343247e+00 2.96 -3.648176074e+00 -3.648176074e+00 2.98 -3.599512735e+00 -3.599512735e+00 3.00 -3.548621273e+00 -3.548621273e+00 3.02 -3.495806964e+00 -3.495806964e+00 3.04 -3.441405261e+00 -3.441405261e+00 3.06 -3.385768595e+00 -3.385768595e+00 3.08 -3.329247447e+00 -3.329247447e+00 3.10 -3.272169720e+00 -3.272169720e+00 3.12 -3.214821817e+00 -3.214821817e+00 3.14 -3.157435574e+00 -3.157435574e+00 3.16 -3.100182120e+00 -3.100182120e+00 3.18 -3.043173398e+00 -3.043173398e+00 3.20 -2.986468891e+00 -2.986468891e+00 3.22 -2.930085596e+00 -2.930085596e+00 3.24 -2.874009153e+00 -2.874009153e+00 3.26 -2.818204637e+00 -2.818204637e+00 3.28 -2.762626205e+00 -2.762626205e+00 3.30 -2.707225241e+00 -2.707225241e+00 3.32 -2.651956915e+00 -2.651956915e+00 3.34 -2.596785209e+00 -2.596785209e+00 3.36 -2.541686497e+00 -2.541686497e+00 3.38 -2.486651781e+00 -2.486651781e+00 3.40 -2.431687736e+00 -2.431687736e+00 3.42 -2.376816814e+00 -2.376816814e+00 3.44 -2.322076399e+00 -2.322076399e+00 3.46 -2.267517517e+00 -2.267517517e+00 3.48 -2.213202973e+00 -2.213202973e+00 3.50 -2.159205041e+00 -2.159205041e+00 3.52 -2.105602656e+00 -2.105602656e+00 3.54 -2.052478026e+00 -2.052478026e+00 3.56 -1.999912737e+00 -1.999912737e+00 3.58 -1.947983599e+00 -1.947983599e+00 3.60 -1.896758726e+00 -1.896758726e+00 3.62 -1.846294453e+00 -1.846294453e+00 3.64 -1.796633660e+00 -1.796633660e+00 3.66 -1.747805773e+00 -1.747805773e+00 3.68 -1.699828418e+00 -1.699828418e+00 3.70 -1.652710325e+00 -1.652710325e+00 3.72 -1.606454926e+00 -1.606454926e+00 3.74 -1.561064037e+00 -1.561064037e+00 3.76 -1.516541060e+00 -1.516541060e+00 3.78 -1.472893279e+00 -1.472893279e+00 3.80 -1.430132986e+00 -1.430132986e+00 3.82 -1.388277289e+00 -1.388277289e+00 3.84 -1.347346671e+00 -1.347346671e+00 3.86 -1.307362527e+00 -1.307362527e+00 3.88 -1.268344070e+00 -1.268344070e+00 3.90 -1.230305085e+00 -1.230305085e+00 3.92 -1.193251044e+00 -1.193251044e+00 3.94 -1.157177113e+00 -1.157177113e+00 3.96 -1.122066914e+00 -1.122066914e+00 3.98 -1.087892658e+00 -1.087892658e+00 4.00 -1.054616058e+00 -1.054616058e+00 4.02 -1.022189982e+00 -1.022189982e+00 4.04 -9.905605338e-01 -9.905605338e-01 4.06 -9.596693023e-01 -9.596693023e-01 4.08 -9.294556084e-01 -9.294556084e-01 4.10 -8.998585738e-01 -8.998585738e-01 4.12 -8.708193856e-01 -8.708193856e-01 4.14 -8.422827213e-01 -8.422827213e-01 4.16 -8.141988020e-01 -8.141988020e-01 4.18 -7.865249717e-01 -7.865249717e-01 4.20 -7.592272608e-01 -7.592272608e-01 4.22 -7.322818059e-01 -7.322818059e-01 4.24 -7.056760452e-01 -7.056760452e-01 4.26 -6.794095785e-01 -6.794095785e-01 4.28 -6.534945741e-01 -6.534945741e-01 4.30 -6.279556129e-01 -6.279556129e-01 4.32 -6.028288989e-01 -6.028288989e-01 4.34 -5.781608104e-01 -5.781608104e-01 4.36 -5.540058281e-01 -5.540058281e-01 4.38 -5.304239260e-01 -5.304239260e-01 4.40 -5.074775616e-01 -5.074775616e-01 4.42 -4.852284305e-01 -4.852284305e-01 4.44 -4.637341784e-01 -4.637341784e-01 4.46 -4.430452753e-01 -4.430452753e-01 4.48 -4.232022604e-01 -4.232022604e-01 4.50 -4.042335540e-01 -4.042335540e-01 4.52 -3.861539940e-01 -3.861539940e-01 4.54 -3.689641949e-01 -3.689641949e-01 4.56 -3.526507502e-01 -3.526507502e-01 4.58 -3.371872106e-01 -3.371872106e-01 4.60 -3.225357023e-01 -3.225357023e-01 4.62 -3.086489965e-01 -3.086489965e-01 4.64 -2.954728288e-01 -2.954728288e-01 4.66 -2.829482763e-01 -2.829482763e-01 4.68 -2.710140392e-01 -2.710140392e-01 4.70 -2.596085183e-01 -2.596085183e-01 4.72 -2.486716332e-01 -2.486716332e-01 4.74 -2.381463621e-01 -2.381463621e-01 4.76 -2.279799200e-01 -2.279799200e-01 4.78 -2.181247677e-01 -2.181247677e-01 4.80 -2.085399711e-01 -2.085399711e-01 4.82 -1.991914794e-01 -1.991914794e-01 4.84 -1.900523045e-01 -1.900523045e-01 4.86 -1.811030803e-01 -1.811030803e-01 4.88 -1.723321342e-01 -1.723321342e-01 4.90 -1.637353758e-01 -1.637353758e-01 4.92 -1.553159189e-01 -1.553159189e-01 4.94 -1.470834165e-01 -1.470834165e-01 4.96 -1.390530971e-01 -1.390530971e-01 4.98 -1.312445203e-01 -1.312445203e-01 5.00 -1.236801104e-01 -1.236801104e-01 5.02 -1.163835431e-01 -1.163835431e-01 5.04 -1.093780938e-01 -1.093780938e-01 5.06 -1.026850694e-01 -1.026850694e-01 5.08 -9.632243544e-02 -9.632243544e-02 5.10 -9.030358327e-02 -9.030358327e-02 5.12 -8.463702358e-02 -8.463702358e-02 5.14 -7.932593813e-02 -7.932593813e-02 5.16 -7.436811859e-02 -7.436811859e-02 5.18 -6.975635258e-02 -6.975635258e-02 5.20 -6.547905024e-02 -6.547905024e-02 5.22 -6.152102342e-02 -6.152102342e-02 5.24 -5.786433225e-02 -5.786433225e-02 5.26 -5.448912585e-02 -5.448912585e-02 5.28 -5.137442154e-02 -5.137442154e-02 5.30 -4.849878596e-02 -4.849878596e-02 5.32 -4.584089916e-02 -4.584089916e-02 5.34 -4.337999730e-02 -4.337999730e-02 5.36 -4.109620031e-02 -4.109620031e-02 5.38 -3.897073755e-02 -3.897073755e-02 5.40 -3.698608810e-02 -3.698608810e-02 5.42 -3.512605357e-02 -3.512605357e-02 5.44 -3.337578046e-02 -3.337578046e-02 5.46 -3.172174757e-02 -3.172174757e-02 5.48 -3.015173176e-02 -3.015173176e-02 5.50 -2.865476274e-02 -2.865476274e-02 5.52 -2.722107552e-02 -2.722107552e-02 5.54 -2.584206628e-02 -2.584206628e-02 5.56 -2.451025591e-02 -2.451025591e-02 5.58 -2.321926249e-02 -2.321926249e-02 5.60 -2.196378251e-02 -2.196378251e-02 5.62 -2.073957900e-02 -2.073957900e-02 5.64 -1.954347221e-02 -1.954347221e-02 5.66 -1.837332709e-02 -1.837332709e-02 5.68 -1.722803103e-02 -1.722803103e-02 5.70 -1.610745446e-02 -1.610745446e-02 5.72 -1.501238752e-02 -1.501238752e-02 5.74 -1.394444715e-02 -1.394444715e-02 5.76 -1.290595172e-02 -1.290595172e-02 5.78 -1.189970669e-02 -1.189970669e-02 5.80 -1.092882879e-02 -1.092882879e-02 5.82 -9.996751579e-03 -9.996751579e-03 5.84 -9.106851101e-03 -9.106851101e-03 5.86 -8.262234731e-03 -8.262234731e-03 5.88 -7.465559516e-03 -7.465559516e-03 5.90 -6.718885428e-03 -6.718885428e-03 5.92 -6.023572829e-03 -6.023572829e-03 5.94 -5.380228725e-03 -5.380228725e-03 5.96 -4.788701424e-03 -4.788701424e-03 5.98 -4.248118709e-03 -4.248118709e-03 6.00 -3.756961244e-03 -3.756961244e-03