# 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 = Al2AuTa # 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 2.132016805e+02 2.132016805e+02 1.30 1.984490601e+02 1.984490601e+02 1.32 1.847388550e+02 1.847388550e+02 1.34 1.719853455e+02 1.719853455e+02 1.36 1.601103954e+02 1.601103954e+02 1.38 1.490426957e+02 1.490426957e+02 1.40 1.387175491e+02 1.387175491e+02 1.42 1.290771910e+02 1.290771910e+02 1.44 1.200713217e+02 1.200713217e+02 1.46 1.116572778e+02 1.116572778e+02 1.48 1.037990369e+02 1.037990369e+02 1.50 9.646474317e+01 9.646474317e+01 1.52 8.962369960e+01 8.962369960e+01 1.54 8.324434711e+01 8.324434711e+01 1.56 7.729392318e+01 7.729392318e+01 1.58 7.173940391e+01 7.173940391e+01 1.60 6.654893656e+01 6.654893656e+01 1.62 6.169311726e+01 6.169311726e+01 1.64 5.714576617e+01 5.714576617e+01 1.66 5.288408820e+01 5.288408820e+01 1.68 4.888826137e+01 4.888826137e+01 1.70 4.514065470e+01 4.514065470e+01 1.72 4.162582870e+01 4.162582870e+01 1.74 3.833232777e+01 3.833232777e+01 1.76 3.524828366e+01 3.524828366e+01 1.78 3.236776604e+01 3.236776604e+01 1.80 2.967684832e+01 2.967684832e+01 1.82 2.716208432e+01 2.716208432e+01 1.84 2.481252617e+01 2.481252617e+01 1.86 2.261971163e+01 2.261971163e+01 1.88 2.057373117e+01 2.057373117e+01 1.90 1.866565727e+01 1.866565727e+01 1.92 1.688743481e+01 1.688743481e+01 1.94 1.523167153e+01 1.523167153e+01 1.96 1.369144746e+01 1.369144746e+01 1.98 1.226015578e+01 1.226015578e+01 2.00 1.093137179e+01 1.093137179e+01 2.02 9.698757559e+00 9.698757559e+00 2.04 8.556027195e+00 8.556027195e+00 2.06 7.496987216e+00 7.496987216e+00 2.08 6.515633487e+00 6.515633487e+00 2.10 5.606262200e+00 5.606262200e+00 2.12 4.763556043e+00 4.763556043e+00 2.14 3.982627831e+00 3.982627831e+00 2.16 3.259024428e+00 3.259024428e+00 2.18 2.588704192e+00 2.588704192e+00 2.20 1.968000971e+00 1.968000971e+00 2.22 1.393581956e+00 1.393581956e+00 2.24 8.624017546e-01 8.624017546e-01 2.26 3.716541158e-01 3.716541158e-01 2.28 -8.127515516e-02 -8.127515516e-02 2.30 -4.988482427e-01 -4.988482427e-01 2.32 -8.834026433e-01 -8.834026433e-01 2.34 -1.237162298e+00 -1.237162298e+00 2.36 -1.562233491e+00 -1.562233491e+00 2.38 -1.860590740e+00 -1.860590740e+00 2.40 -2.134044522e+00 -2.134044522e+00 2.42 -2.384148560e+00 -2.384148560e+00 2.44 -2.612534870e+00 -2.612534870e+00 2.46 -2.820717826e+00 -2.820717826e+00 2.48 -3.010061074e+00 -3.010061074e+00 2.50 -3.181813256e+00 -3.181813256e+00 2.52 -3.337143458e+00 -3.337143458e+00 2.54 -3.477167479e+00 -3.477167479e+00 2.56 -3.602816585e+00 -3.602816585e+00 2.58 -3.714898752e+00 -3.714898752e+00 2.60 -3.814312560e+00 -3.814312560e+00 2.62 -3.902032882e+00 -3.902032882e+00 2.64 -3.979067788e+00 -3.979067788e+00 2.66 -4.046402387e+00 -4.046402387e+00 2.68 -4.104942754e+00 -4.104942754e+00 2.70 -4.155474548e+00 -4.155474548e+00 2.72 -4.198645127e+00 -4.198645127e+00 2.74 -4.234968782e+00 -4.234968782e+00 2.76 -4.264847776e+00 -4.264847776e+00 2.78 -4.288599894e+00 -4.288599894e+00 2.80 -4.306485053e+00 -4.306485053e+00 2.82 -4.318737762e+00 -4.318737762e+00 2.84 -4.325618010e+00 -4.325618010e+00 2.86 -4.327276245e+00 -4.327276245e+00 2.88 -4.323852834e+00 -4.323852834e+00 2.90 -4.315500530e+00 -4.315500530e+00 2.92 -4.302821677e+00 -4.302821677e+00 2.94 -4.286924791e+00 -4.286924791e+00 2.96 -4.267629650e+00 -4.267629650e+00 2.98 -4.244771873e+00 -4.244771873e+00 3.00 -4.218269938e+00 -4.218269938e+00 3.02 -4.188116772e+00 -4.188116772e+00 3.04 -4.154374246e+00 -4.154374246e+00 3.06 -4.117167808e+00 -4.117167808e+00 3.08 -4.076673029e+00 -4.076673029e+00 3.10 -4.033107976e+00 -4.033107976e+00 3.12 -3.986725439e+00 -3.986725439e+00 3.14 -3.937771511e+00 -3.937771511e+00 3.16 -3.886471313e+00 -3.886471313e+00 3.18 -3.833025014e+00 -3.833025014e+00 3.20 -3.777610061e+00 -3.777610061e+00 3.22 -3.720387952e+00 -3.720387952e+00 3.24 -3.661513124e+00 -3.661513124e+00 3.26 -3.601141552e+00 -3.601141552e+00 3.28 -3.539437210e+00 -3.539437210e+00 3.30 -3.476575256e+00 -3.476575256e+00 3.32 -3.412741583e+00 -3.412741583e+00 3.34 -3.348129065e+00 -3.348129065e+00 3.36 -3.282931317e+00 -3.282931317e+00 3.38 -3.217335150e+00 -3.217335150e+00 3.40 -3.151512945e+00 -3.151512945e+00 3.42 -3.085616066e+00 -3.085616066e+00 3.44 -3.019770088e+00 -3.019770088e+00 3.46 -2.954072283e+00 -2.954072283e+00 3.48 -2.888591344e+00 -2.888591344e+00 3.50 -2.823369096e+00 -2.823369096e+00 3.52 -2.758423742e+00 -2.758423742e+00 3.54 -2.693754156e+00 -2.693754156e+00 3.56 -2.629344793e+00 -2.629344793e+00 3.58 -2.565170864e+00 -2.565170864e+00 3.60 -2.501203561e+00 -2.501203561e+00 3.62 -2.437415159e+00 -2.437415159e+00 3.64 -2.373783922e+00 -2.373783922e+00 3.66 -2.310298694e+00 -2.310298694e+00 3.68 -2.246963070e+00 -2.246963070e+00 3.70 -2.183798968e+00 -2.183798968e+00 3.72 -2.120849393e+00 -2.120849393e+00 3.74 -2.058180129e+00 -2.058180129e+00 3.76 -1.995880098e+00 -1.995880098e+00 3.78 -1.934060192e+00 -1.934060192e+00 3.80 -1.872850456e+00 -1.872850456e+00 3.82 -1.812395649e+00 -1.812395649e+00 3.84 -1.752849426e+00 -1.752849426e+00 3.86 -1.694367501e+00 -1.694367501e+00 3.88 -1.637100347e+00 -1.637100347e+00 3.90 -1.581186031e+00 -1.581186031e+00 3.92 -1.526743796e+00 -1.526743796e+00 3.94 -1.473868945e+00 -1.473868945e+00 3.96 -1.422629295e+00 -1.422629295e+00 3.98 -1.373063513e+00 -1.373063513e+00 4.00 -1.325181227e+00 -1.325181227e+00 4.02 -1.278964788e+00 -1.278964788e+00 4.04 -1.234372370e+00 -1.234372370e+00 4.06 -1.191342114e+00 -1.191342114e+00 4.08 -1.149796933e+00 -1.149796933e+00 4.10 -1.109649668e+00 -1.109649668e+00 4.12 -1.070808444e+00 -1.070808444e+00 4.14 -1.033181667e+00 -1.033181667e+00 4.16 -9.966829276e-01 -9.966829276e-01 4.18 -9.612352586e-01 -9.612352586e-01 4.20 -9.267747228e-01 -9.267747228e-01 4.22 -8.932530864e-01 -8.932530864e-01 4.24 -8.606393799e-01 -8.606393799e-01 4.26 -8.289201658e-01 -8.289201658e-01 4.28 -7.980983986e-01 -7.980983986e-01 4.30 -7.681908819e-01 -7.681908819e-01 4.32 -7.392244813e-01 -7.392244813e-01 4.34 -7.112314187e-01 -7.112314187e-01 4.36 -6.842441199e-01 -6.842441199e-01 4.38 -6.582901608e-01 -6.582901608e-01 4.40 -6.333878512e-01 -6.333878512e-01 4.42 -6.095428881e-01 -6.095428881e-01 4.44 -5.867463373e-01 -5.867463373e-01 4.46 -5.649740004e-01 -5.649740004e-01 4.48 -5.441870349e-01 -5.441870349e-01 4.50 -5.243335620e-01 -5.243335620e-01 4.52 -5.053509282e-01 -5.053509282e-01 4.54 -4.871682868e-01 -4.871682868e-01 4.56 -4.697092138e-01 -4.697092138e-01 4.58 -4.528941508e-01 -4.528941508e-01 4.60 -4.366425528e-01 -4.366425528e-01 4.62 -4.208746939e-01 -4.208746939e-01 4.64 -4.055131452e-01 -4.055131452e-01 4.66 -3.904839788e-01 -3.904839788e-01 4.68 -3.757177721e-01 -3.757177721e-01 4.70 -3.611504945e-01 -3.611504945e-01 4.72 -3.467243506e-01 -3.467243506e-01 4.74 -3.323886379e-01 -3.323886379e-01 4.76 -3.181006574e-01 -3.181006574e-01 4.78 -3.038266836e-01 -3.038266836e-01 4.80 -2.895429619e-01 -2.895429619e-01 4.82 -2.752367489e-01 -2.752367489e-01 4.84 -2.609071241e-01 -2.609071241e-01 4.86 -2.465657109e-01 -2.465657109e-01 4.88 -2.322369852e-01 -2.322369852e-01 4.90 -2.179581142e-01 -2.179581142e-01 4.92 -2.037781958e-01 -2.037781958e-01 4.94 -1.897568280e-01 -1.897568280e-01 4.96 -1.759619962e-01 -1.759619962e-01 4.98 -1.624673375e-01 -1.624673375e-01 5.00 -1.493489280e-01 -1.493489280e-01 5.02 -1.366818244e-01 -1.366818244e-01 5.04 -1.245366040e-01 -1.245366040e-01 5.06 -1.129761881e-01 -1.129761881e-01 5.08 -1.020531977e-01 -1.020531977e-01 5.10 -9.180788944e-02 -9.180788944e-02 5.12 -8.226709100e-02 -8.226709100e-02 5.14 -7.344457267e-02 -7.344457267e-02 5.16 -6.534101504e-02 -6.534101504e-02 5.18 -5.794515612e-02 -5.794515612e-02 5.20 -5.123542900e-02 -5.123542900e-02 5.22 -4.518186797e-02 -4.518186797e-02 5.24 -3.974810321e-02 -3.974810321e-02 5.26 -3.489331441e-02 -3.489331441e-02 5.28 -3.057401838e-02 -3.057401838e-02 5.30 -2.674562709e-02 -2.674562709e-02 5.32 -2.336372768e-02 -2.336372768e-02 5.34 -2.038509725e-02 -2.038509725e-02 5.36 -1.776845569e-02 -1.776845569e-02 5.38 -1.547462889e-02 -1.547462889e-02 5.40 -1.346767383e-02 -1.346767383e-02 5.42 -1.171481927e-02 -1.171481927e-02 5.44 -1.018615520e-02 -1.018615520e-02 5.46 -8.854633759e-03 -8.854633759e-03 5.48 -7.695981949e-03 -7.695981949e-03 5.50 -6.688555624e-03 -6.688555624e-03 5.52 -5.813157582e-03 -5.813157582e-03 5.54 -5.052836985e-03 -5.052836985e-03 5.56 -4.392682557e-03 -4.392682557e-03 5.58 -3.819618361e-03 -3.819618361e-03 5.60 -3.322207992e-03 -3.322207992e-03 5.62 -2.890470880e-03 -2.890470880e-03 5.64 -2.515712764e-03 -2.515712764e-03 5.66 -2.190371210e-03 -2.190371210e-03 5.68 -1.907876281e-03 -1.907876281e-03 5.70 -1.662525865e-03 -1.662525865e-03 5.72 -1.449374882e-03 -1.449374882e-03 5.74 -1.264137337e-03 -1.264137337e-03 5.76 -1.103100120e-03 -1.103100120e-03 5.78 -9.630474335e-04 -9.630474335e-04 5.80 -8.411947256e-04 -8.411947256e-04 5.82 -7.351310882e-04 -7.351310882e-04 5.84 -6.427691357e-04 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