# 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 = CoCuTa2 # 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 2.339559626e+02 2.339559626e+02 1.30 2.158969849e+02 2.158969849e+02 1.32 1.992133555e+02 1.992133555e+02 1.34 1.837919045e+02 1.837919045e+02 1.36 1.695317312e+02 1.695317312e+02 1.38 1.563419546e+02 1.563419546e+02 1.40 1.441400506e+02 1.441400506e+02 1.42 1.328507843e+02 1.328507843e+02 1.44 1.224049724e+02 1.224049724e+02 1.46 1.127379956e+02 1.127379956e+02 1.48 1.037885019e+02 1.037885019e+02 1.50 9.549767190e+01 9.549767190e+01 1.52 8.780931415e+01 8.780931415e+01 1.54 8.067083806e+01 8.067083806e+01 1.56 7.403464037e+01 7.403464037e+01 1.58 6.785913302e+01 6.785913302e+01 1.60 6.210890107e+01 6.210890107e+01 1.62 5.675400769e+01 5.675400769e+01 1.64 5.176880644e+01 5.176880644e+01 1.66 4.713068241e+01 4.713068241e+01 1.68 4.281901701e+01 4.281901701e+01 1.70 3.881446839e+01 3.881446839e+01 1.72 3.509851641e+01 3.509851641e+01 1.74 3.165320447e+01 3.165320447e+01 1.76 2.846105193e+01 2.846105193e+01 1.78 2.550511666e+01 2.550511666e+01 1.80 2.277135283e+01 2.277135283e+01 1.82 2.025195376e+01 2.025195376e+01 1.84 1.793243885e+01 1.793243885e+01 1.86 1.579861856e+01 1.579861856e+01 1.88 1.383734417e+01 1.383734417e+01 1.90 1.203667203e+01 1.203667203e+01 1.92 1.038462855e+01 1.038462855e+01 1.94 8.869557261e+00 8.869557261e+00 1.96 7.480105904e+00 7.480105904e+00 1.98 6.205284994e+00 6.205284994e+00 2.00 5.034636975e+00 5.034636975e+00 2.02 3.958477970e+00 3.958477970e+00 2.04 2.968142809e+00 2.968142809e+00 2.06 2.056148919e+00 2.056148919e+00 2.08 1.216220240e+00 1.216220240e+00 2.10 4.431687899e-01 4.431687899e-01 2.12 -2.673177252e-01 -2.673177252e-01 2.14 -9.189151628e-01 -9.189151628e-01 2.16 -1.514875303e+00 -1.514875303e+00 2.18 -2.058186214e+00 -2.058186214e+00 2.20 -2.551681602e+00 -2.551681602e+00 2.22 -2.998114093e+00 -2.998114093e+00 2.24 -3.400208981e+00 -3.400208981e+00 2.26 -3.760709227e+00 -3.760709227e+00 2.28 -4.082414091e+00 -4.082414091e+00 2.30 -4.368205142e+00 -4.368205142e+00 2.32 -4.621047529e+00 -4.621047529e+00 2.34 -4.843955289e+00 -4.843955289e+00 2.36 -5.039919289e+00 -5.039919289e+00 2.38 -5.211810699e+00 -5.211810699e+00 2.40 -5.362283418e+00 -5.362283418e+00 2.42 -5.493699159e+00 -5.493699159e+00 2.44 -5.608089518e+00 -5.608089518e+00 2.46 -5.706948717e+00 -5.706948717e+00 2.48 -5.791751776e+00 -5.791751776e+00 2.50 -5.863952983e+00 -5.863952983e+00 2.52 -5.924733927e+00 -5.924733927e+00 2.54 -5.975079067e+00 -5.975079067e+00 2.56 -6.015839302e+00 -6.015839302e+00 2.58 -6.047779271e+00 -6.047779271e+00 2.60 -6.071514835e+00 -6.071514835e+00 2.62 -6.087237772e+00 -6.087237772e+00 2.64 -6.095122052e+00 -6.095122052e+00 2.66 -6.095431388e+00 -6.095431388e+00 2.68 -6.088483632e+00 -6.088483632e+00 2.70 -6.074625144e+00 -6.074625144e+00 2.72 -6.054212165e+00 -6.054212165e+00 2.74 -6.027596099e+00 -6.027596099e+00 2.76 -5.995111245e+00 -5.995111245e+00 2.78 -5.957065420e+00 -5.957065420e+00 2.80 -5.913747581e+00 -5.913747581e+00 2.82 -5.865427624e+00 -5.865427624e+00 2.84 -5.812292920e+00 -5.812292920e+00 2.86 -5.754513810e+00 -5.754513810e+00 2.88 -5.692255703e+00 -5.692255703e+00 2.90 -5.625686035e+00 -5.625686035e+00 2.92 -5.554979408e+00 -5.554979408e+00 2.94 -5.480338113e+00 -5.480338113e+00 2.96 -5.402124869e+00 -5.402124869e+00 2.98 -5.320449048e+00 -5.320449048e+00 3.00 -5.235343818e+00 -5.235343818e+00 3.02 -5.146847900e+00 -5.146847900e+00 3.04 -5.055026363e+00 -5.055026363e+00 3.06 -4.959962143e+00 -4.959962143e+00 3.08 -4.861748779e+00 -4.861748779e+00 3.10 -4.760486543e+00 -4.760486543e+00 3.12 -4.656282815e+00 -4.656282815e+00 3.14 -4.549263896e+00 -4.549263896e+00 3.16 -4.439590535e+00 -4.439590535e+00 3.18 -4.327454804e+00 -4.327454804e+00 3.20 -4.213090700e+00 -4.213090700e+00 3.22 -4.096785834e+00 -4.096785834e+00 3.24 -3.978889521e+00 -3.978889521e+00 3.26 -3.859815320e+00 -3.859815320e+00 3.28 -3.740036580e+00 -3.740036580e+00 3.30 -3.620074356e+00 -3.620074356e+00 3.32 -3.500478136e+00 -3.500478136e+00 3.34 -3.381801000e+00 -3.381801000e+00 3.36 -3.264571829e+00 -3.264571829e+00 3.38 -3.149267786e+00 -3.149267786e+00 3.40 -3.036290338e+00 -3.036290338e+00 3.42 -2.925947433e+00 -2.925947433e+00 3.44 -2.818443479e+00 -2.818443479e+00 3.46 -2.713877501e+00 -2.713877501e+00 3.48 -2.612248774e+00 -2.612248774e+00 3.50 -2.513468440e+00 -2.513468440e+00 3.52 -2.417375240e+00 -2.417375240e+00 3.54 -2.323753522e+00 -2.323753522e+00 3.56 -2.232351975e+00 -2.232351975e+00 3.58 -2.142901942e+00 -2.142901942e+00 3.60 -2.055134628e+00 -2.055134628e+00 3.62 -1.968796825e+00 -1.968796825e+00 3.64 -1.883664982e+00 -1.883664982e+00 3.66 -1.799557551e+00 -1.799557551e+00 3.68 -1.716345437e+00 -1.716345437e+00 3.70 -1.633960307e+00 -1.633960307e+00 3.72 -1.552400334e+00 -1.552400334e+00 3.74 -1.471732870e+00 -1.471732870e+00 3.76 -1.392093508e+00 -1.392093508e+00 3.78 -1.313681133e+00 -1.313681133e+00 3.80 -1.236748792e+00 -1.236748792e+00 3.82 -1.161590613e+00 -1.161590613e+00 3.84 -1.088525480e+00 -1.088525480e+00 3.86 -1.017878595e+00 -1.017878595e+00 3.88 -9.499624422e-01 -9.499624422e-01 3.90 -8.850588130e-01 -8.850588130e-01 3.92 -8.234034640e-01 -8.234034640e-01 3.94 -7.651746569e-01 -7.651746569e-01 3.96 -7.104863102e-01 -7.104863102e-01 3.98 -6.593859179e-01 -6.593859179e-01 4.00 -6.118568399e-01 -6.118568399e-01 4.02 -5.678241625e-01 -5.678241625e-01 4.04 -5.271630970e-01 -5.271630970e-01 4.06 -4.897088359e-01 -4.897088359e-01 4.08 -4.552668884e-01 -4.552668884e-01 4.10 -4.236231044e-01 -4.236231044e-01 4.12 -3.945528349e-01 -3.945528349e-01 4.14 -3.678288863e-01 -3.678288863e-01 4.16 -3.432281311e-01 -3.432281311e-01 4.18 -3.205367607e-01 -3.205367607e-01 4.20 -2.995542626e-01 -2.995542626e-01 4.22 -2.800962481e-01 -2.800962481e-01 4.24 -2.619962693e-01 -2.619962693e-01 4.26 -2.451067646e-01 -2.451067646e-01 4.28 -2.292992633e-01 -2.292992633e-01 4.30 -2.144639694e-01 -2.144639694e-01 4.32 -2.005088437e-01 -2.005088437e-01 4.34 -1.873582898e-01 -1.873582898e-01 4.36 -1.749515406e-01 -1.749515406e-01 4.38 -1.632408195e-01 -1.632408195e-01 4.40 -1.521893333e-01 -1.521893333e-01 4.42 -1.417691400e-01 -1.417691400e-01 4.44 -1.319589235e-01 -1.319589235e-01 4.46 -1.227416322e-01 -1.227416322e-01 4.48 -1.141027186e-01 -1.141027186e-01 4.50 -1.060278670e-01 -1.060278670e-01 4.52 -9.850136772e-02 -9.850136772e-02 4.54 -9.150518821e-02 -9.150518821e-02 4.56 -8.501790537e-02 -8.501790537e-02 4.58 -7.901448512e-02 -7.901448512e-02 4.60 -7.346649334e-02 -7.346649334e-02 4.62 -6.834264229e-02 -6.834264229e-02 4.64 -6.360956767e-02 -6.360956767e-02 4.66 -5.923272771e-02 -5.923272771e-02 4.68 -5.517732900e-02 -5.517732900e-02 4.70 -5.140920812e-02 -5.140920812e-02 4.72 -4.789561662e-02 -4.789561662e-02 4.74 -4.460589673e-02 -4.460589673e-02 4.76 -4.151203756e-02 -4.151203756e-02 4.78 -3.858911502e-02 -3.858911502e-02 4.80 -3.581562391e-02 -3.581562391e-02 4.82 -3.317370741e-02 -3.317370741e-02 4.84 -3.064928354e-02 -3.064928354e-02 4.86 -2.823205114e-02 -2.823205114e-02 4.88 -2.591536783e-02 -2.591536783e-02 4.90 -2.369598464e-02 -2.369598464e-02 4.92 -2.157362781e-02 -2.157362781e-02 4.94 -1.955043276e-02 -1.955043276e-02 4.96 -1.763023549e-02 -1.763023549e-02 4.98 -1.581756804e-02 -1.581756804e-02 5.00 -1.411744888e-02 -1.411744888e-02 5.02 -1.253441797e-02 -1.253441797e-02 5.04 -1.107177878e-02 -1.107177878e-02 5.06 -9.731153405e-03 -9.731153405e-03 5.08 -8.512236708e-03 -8.512236708e-03 5.10 -7.412749886e-03 -7.412749886e-03 5.12 -6.428568873e-03 -6.428568873e-03 5.14 -5.553985715e-03 -5.553985715e-03 5.16 -4.782052945e-03 -4.782052945e-03 5.18 -4.104962008e-03 -4.104962008e-03 5.20 -3.514414417e-03 -3.514414417e-03 5.22 -3.001955570e-03 -3.001955570e-03 5.24 -2.559253162e-03 -2.559253162e-03 5.26 -2.178312736e-03 -2.178312736e-03 5.28 -1.851631103e-03 -1.851631103e-03 5.30 -1.572293755e-03 -1.572293755e-03 5.32 -1.334025302e-03 -1.334025302e-03 5.34 -1.131202926e-03 -1.131202926e-03 5.36 -9.588425079e-04 -9.588425079e-04 5.38 -8.125659060e-04 -8.125659060e-04 5.40 -6.885564413e-04 -6.885564413e-04 5.42 -5.835080627e-04 -5.835080627e-04 5.44 -4.945722808e-04 -4.945722808e-04 5.46 -4.193057366e-04 -4.193057366e-04 5.48 -3.556202985e-04 -3.556202985e-04 5.50 -3.017368347e-04 -3.017368347e-04 5.52 -2.561432479e-04 -2.561432479e-04 5.54 -2.175569747e-04 -2.175569747e-04 5.56 -1.848918830e-04 -1.848918830e-04 5.58 -1.572293389e-04 -1.572293389e-04 5.60 -1.337931172e-04 -1.337931172e-04 5.62 -1.139277827e-04 -1.139277827e-04 5.64 -9.708015942e-05 -9.708015942e-05 5.66 -8.278351303e-05 -8.278351303e-05 5.68 -7.064409500e-05 -7.064409500e-05 5.70 -6.032972794e-05 -6.032972794e-05 5.72 -5.156014344e-05 -5.156014344e-05 5.74 -4.409881787e-05 -4.409881787e-05 5.76 -3.774608324e-05 -3.774608324e-05 5.78 -3.233332027e-05 -3.233332027e-05 5.80 -2.771806734e-05 -2.771806734e-05 5.82 -2.377990323e-05 -2.377990323e-05 5.84 -2.041698243e-05 -2.041698243e-05 5.86 -1.754312010e-05 -1.754312010e-05 5.88 -1.508533961e-05 -1.508533961e-05 5.90 -1.298180923e-05 -1.298180923e-05 5.92 -1.118010566e-05 -1.118010566e-05 5.94 -9.635752516e-06 -9.635752516e-06 5.96 -8.310989631e-06 -8.310989631e-06 5.98 -7.173736400e-06 -7.173736400e-06 6.00 -6.196718142e-06 -6.196718142e-06