# 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 = AlCo2Mg # 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 1.779443574e+02 1.779443574e+02 1.30 1.643664725e+02 1.643664725e+02 1.32 1.518277367e+02 1.518277367e+02 1.34 1.402419543e+02 1.402419543e+02 1.36 1.295316055e+02 1.295316055e+02 1.38 1.196277585e+02 1.196277585e+02 1.40 1.104684090e+02 1.104684090e+02 1.42 1.019962234e+02 1.019962234e+02 1.44 9.415666247e+01 9.415666247e+01 1.46 8.689751480e+01 8.689751480e+01 1.48 8.017013065e+01 8.017013065e+01 1.50 7.393108284e+01 7.393108284e+01 1.52 6.814261008e+01 6.814261008e+01 1.54 6.277165518e+01 6.277165518e+01 1.56 5.778852792e+01 5.778852792e+01 1.58 5.316612126e+01 5.316612126e+01 1.60 4.888053355e+01 4.888053355e+01 1.62 4.490797241e+01 4.490797241e+01 1.64 4.122700868e+01 4.122700868e+01 1.66 3.781643543e+01 3.781643543e+01 1.68 3.465549455e+01 3.465549455e+01 1.70 3.172501554e+01 3.172501554e+01 1.72 2.900763224e+01 2.900763224e+01 1.74 2.648769364e+01 2.648769364e+01 1.76 2.415098035e+01 2.415098035e+01 1.78 2.198447176e+01 2.198447176e+01 1.80 1.997625790e+01 1.997625790e+01 1.82 1.811550578e+01 1.811550578e+01 1.84 1.639235578e+01 1.639235578e+01 1.86 1.479773188e+01 1.479773188e+01 1.88 1.332310506e+01 1.332310506e+01 1.90 1.196027057e+01 1.196027057e+01 1.92 1.070119035e+01 1.070119035e+01 1.94 9.537957081e+00 9.537957081e+00 1.96 8.462897419e+00 8.462897419e+00 1.98 7.468771832e+00 7.468771832e+00 2.00 6.548978165e+00 6.548978165e+00 2.02 5.697675602e+00 5.697675602e+00 2.04 4.909790447e+00 4.909790447e+00 2.06 4.180913275e+00 4.180913275e+00 2.08 3.507136222e+00 3.507136222e+00 2.10 2.884890636e+00 2.884890636e+00 2.12 2.310827279e+00 2.310827279e+00 2.14 1.781751326e+00 1.781751326e+00 2.16 1.294605877e+00 1.294605877e+00 2.18 8.464853882e-01 8.464853882e-01 2.20 4.346612492e-01 4.346612492e-01 2.22 5.660094360e-02 5.660094360e-02 2.24 -2.900254649e-01 -2.900254649e-01 2.26 -6.073517890e-01 -6.073517890e-01 2.28 -8.973304164e-01 -8.973304164e-01 2.30 -1.161748696e+00 -1.161748696e+00 2.32 -1.402247491e+00 -1.402247491e+00 2.34 -1.620336156e+00 -1.620336156e+00 2.36 -1.817409470e+00 -1.817409470e+00 2.38 -1.994764023e+00 -1.994764023e+00 2.40 -2.153680614e+00 -2.153680614e+00 2.42 -2.295324098e+00 -2.295324098e+00 2.44 -2.420726865e+00 -2.420726865e+00 2.46 -2.530922786e+00 -2.530922786e+00 2.48 -2.626955325e+00 -2.626955325e+00 2.50 -2.709878370e+00 -2.709878370e+00 2.52 -2.780752323e+00 -2.780752323e+00 2.54 -2.840639897e+00 -2.840639897e+00 2.56 -2.890658775e+00 -2.890658775e+00 2.58 -2.932462513e+00 -2.932462513e+00 2.60 -2.966804725e+00 -2.966804725e+00 2.62 -2.994246067e+00 -2.994246067e+00 2.64 -3.015367853e+00 -3.015367853e+00 2.66 -3.030720621e+00 -3.030720621e+00 2.68 -3.040786686e+00 -3.040786686e+00 2.70 -3.045962096e+00 -3.045962096e+00 2.72 -3.046561706e+00 -3.046561706e+00 2.74 -3.042846499e+00 -3.042846499e+00 2.76 -3.035031918e+00 -3.035031918e+00 2.78 -3.023300987e+00 -3.023300987e+00 2.80 -3.007820045e+00 -3.007820045e+00 2.82 -2.988747350e+00 -2.988747350e+00 2.84 -2.966238576e+00 -2.966238576e+00 2.86 -2.940448892e+00 -2.940448892e+00 2.88 -2.911534360e+00 -2.911534360e+00 2.90 -2.879654033e+00 -2.879654033e+00 2.92 -2.844973840e+00 -2.844973840e+00 2.94 -2.807672740e+00 -2.807672740e+00 2.96 -2.767950868e+00 -2.767950868e+00 2.98 -2.726038340e+00 -2.726038340e+00 3.00 -2.682202345e+00 -2.682202345e+00 3.02 -2.636749484e+00 -2.636749484e+00 3.04 -2.590020463e+00 -2.590020463e+00 3.06 -2.542377200e+00 -2.542377200e+00 3.08 -2.494181033e+00 -2.494181033e+00 3.10 -2.445770271e+00 -2.445770271e+00 3.12 -2.397439060e+00 -2.397439060e+00 3.14 -2.349424542e+00 -2.349424542e+00 3.16 -2.301901345e+00 -2.301901345e+00 3.18 -2.255000812e+00 -2.255000812e+00 3.20 -2.208785224e+00 -2.208785224e+00 3.22 -2.163271489e+00 -2.163271489e+00 3.24 -2.118455585e+00 -2.118455585e+00 3.26 -2.074322774e+00 -2.074322774e+00 3.28 -2.030855222e+00 -2.030855222e+00 3.30 -1.988036842e+00 -1.988036842e+00 3.32 -1.945855708e+00 -1.945855708e+00 3.34 -1.904304414e+00 -1.904304414e+00 3.36 -1.863369762e+00 -1.863369762e+00 3.38 -1.823026554e+00 -1.823026554e+00 3.40 -1.783255414e+00 -1.783255414e+00 3.42 -1.744043172e+00 -1.744043172e+00 3.44 -1.705381371e+00 -1.705381371e+00 3.46 -1.667265463e+00 -1.667265463e+00 3.48 -1.629693915e+00 -1.629693915e+00 3.50 -1.592667407e+00 -1.592667407e+00 3.52 -1.556188051e+00 -1.556188051e+00 3.54 -1.520258610e+00 -1.520258610e+00 3.56 -1.484881766e+00 -1.484881766e+00 3.58 -1.450059479e+00 -1.450059479e+00 3.60 -1.415792474e+00 -1.415792474e+00 3.62 -1.382079891e+00 -1.382079891e+00 3.64 -1.348919128e+00 -1.348919128e+00 3.66 -1.316305864e+00 -1.316305864e+00 3.68 -1.284234262e+00 -1.284234262e+00 3.70 -1.252697314e+00 -1.252697314e+00 3.72 -1.221687273e+00 -1.221687273e+00 3.74 -1.191196124e+00 -1.191196124e+00 3.76 -1.161216012e+00 -1.161216012e+00 3.78 -1.131739584e+00 -1.131739584e+00 3.80 -1.102760183e+00 -1.102760183e+00 3.82 -1.074271872e+00 -1.074271872e+00 3.84 -1.046269272e+00 -1.046269272e+00 3.86 -1.018747232e+00 -1.018747232e+00 3.88 -9.917003724e-01 -9.917003724e-01 3.90 -9.651225480e-01 -9.651225480e-01 3.92 -9.390062037e-01 -9.390062037e-01 3.94 -9.133423479e-01 -9.133423479e-01 3.96 -8.881195043e-01 -8.881195043e-01 3.98 -8.633240424e-01 -8.633240424e-01 4.00 -8.389400703e-01 -8.389400703e-01 4.02 -8.149496621e-01 -8.149496621e-01 4.04 -7.913332825e-01 -7.913332825e-01 4.06 -7.680704023e-01 -7.680704023e-01 4.08 -7.451403053e-01 -7.451403053e-01 4.10 -7.225228234e-01 -7.225228234e-01 4.12 -7.002006235e-01 -7.002006235e-01 4.14 -6.781588081e-01 -6.781588081e-01 4.16 -6.563876058e-01 -6.563876058e-01 4.18 -6.348835144e-01 -6.348835144e-01 4.20 -6.136506466e-01 -6.136506466e-01 4.22 -5.927017647e-01 -5.927017647e-01 4.24 -5.720587951e-01 -5.720587951e-01 4.26 -5.517526268e-01 -5.517526268e-01 4.28 -5.318220547e-01 -5.318220547e-01 4.30 -5.123118353e-01 -5.123118353e-01 4.32 -4.932699610e-01 -4.932699610e-01 4.34 -4.747444018e-01 -4.747444018e-01 4.36 -4.567796738e-01 -4.567796738e-01 4.38 -4.394136343e-01 -4.394136343e-01 4.40 -4.226748692e-01 -4.226748692e-01 4.42 -4.065809319e-01 -4.065809319e-01 4.44 -3.911375454e-01 -3.911375454e-01 4.46 -3.763387330e-01 -3.763387330e-01 4.48 -3.621677228e-01 -3.621677228e-01 4.50 -3.485984044e-01 -3.485984044e-01 4.52 -3.355970959e-01 -3.355970959e-01 4.54 -3.231244051e-01 -3.231244051e-01 4.56 -3.111370153e-01 -3.111370153e-01 4.58 -2.995892883e-01 -2.995892883e-01 4.60 -2.884346296e-01 -2.884346296e-01 4.62 -2.776266121e-01 -2.776266121e-01 4.64 -2.671198821e-01 -2.671198821e-01 4.66 -2.568708975e-01 -2.568708975e-01 4.68 -2.468385518e-01 -2.468385518e-01 4.70 -2.369847418e-01 -2.369847418e-01 4.72 -2.272749268e-01 -2.272749268e-01 4.74 -2.176787177e-01 -2.176787177e-01 4.76 -2.081705156e-01 -2.081705156e-01 4.78 -1.987302008e-01 -1.987302008e-01 4.80 -1.893436448e-01 -1.893436448e-01 4.82 -1.800042575e-01 -1.800042575e-01 4.84 -1.707122511e-01 -1.707122511e-01 4.86 -1.614759945e-01 -1.614759945e-01 4.88 -1.523118945e-01 -1.523118945e-01 4.90 -1.432441393e-01 -1.432441393e-01 4.92 -1.343039800e-01 -1.343039800e-01 4.94 -1.255285173e-01 -1.255285173e-01 4.96 -1.169590212e-01 -1.169590212e-01 4.98 -1.086388731e-01 -1.086388731e-01 5.00 -1.006112693e-01 -1.006112693e-01 5.02 -9.291691947e-02 -9.291691947e-02 5.04 -8.559192018e-02 -8.559192018e-02 5.06 -7.866599287e-02 -7.866599287e-02 5.08 -7.216092371e-02 -7.216092371e-02 5.10 -6.608993268e-02 -6.608993268e-02 5.12 -6.045909354e-02 -6.045909354e-02 5.14 -5.526636422e-02 -5.526636422e-02 5.16 -5.050240799e-02 -5.050240799e-02 5.18 -4.615166134e-02 -4.615166134e-02 5.20 -4.219386479e-02 -4.219386479e-02 5.22 -3.860537773e-02 -3.860537773e-02 5.24 -3.536029188e-02 -3.536029188e-02 5.26 -3.243154510e-02 -3.243154510e-02 5.28 -2.979185810e-02 -2.979185810e-02 5.30 -2.741448372e-02 -2.741448372e-02 5.32 -2.527377334e-02 -2.527377334e-02 5.34 -2.334557864e-02 -2.334557864e-02 5.36 -2.160750954e-02 -2.160750954e-02 5.38 -2.003907251e-02 -2.003907251e-02 5.40 -1.862171314e-02 -1.862171314e-02 5.42 -1.733878490e-02 -1.733878490e-02 5.44 -1.617546322e-02 -1.617546322e-02 5.46 -1.511862158e-02 -1.511862158e-02 5.48 -1.415668364e-02 -1.415668364e-02 5.50 -1.327941465e-02 -1.327941465e-02 5.52 -1.247783843e-02 -1.247783843e-02 5.54 -1.174409413e-02 -1.174409413e-02 5.56 -1.107123677e-02 -1.107123677e-02 5.58 -1.045310851e-02 -1.045310851e-02 5.60 -9.884226245e-03 -9.884226245e-03 5.62 -9.359686290e-03 -9.359686290e-03 5.64 -8.875085484e-03 -8.875085484e-03 5.66 -8.426456919e-03 -8.426456919e-03 5.68 -8.010218082e-03 -8.010218082e-03 5.70 -7.623128889e-03 -7.623128889e-03 5.72 -7.262257262e-03 -7.262257262e-03 5.74 -6.924950176e-03 -6.924950176e-03 5.76 -6.608808587e-03 -6.608808587e-03 5.78 -6.311665038e-03 -6.311665038e-03 5.80 -6.031563208e-03 -6.031563208e-03 5.82 -5.766738924e-03 -5.766738924e-03 5.84 -5.515602464e-03 -5.515602464e-03 5.86 -5.276722086e-03 -5.276722086e-03 5.88 -5.048808847e-03 -5.048808847e-03 5.90 -4.830702788e-03 -4.830702788e-03 5.92 -4.621360602e-03 -4.621360602e-03 5.94 -4.419844853e-03 -4.419844853e-03 5.96 -4.225314827e-03 -4.225314827e-03 5.98 -4.037019020e-03 -4.037019020e-03 6.00 -3.854289271e-03 -3.854289271e-03