# 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 = CoCu2Ta # 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 1.612700931e+02 1.612700931e+02 1.30 1.482975817e+02 1.482975817e+02 1.32 1.363338105e+02 1.363338105e+02 1.34 1.252952928e+02 1.252952928e+02 1.36 1.151084376e+02 1.151084376e+02 1.38 1.057076131e+02 1.057076131e+02 1.40 9.703337843e+01 9.703337843e+01 1.42 8.903122966e+01 8.903122966e+01 1.44 8.165019282e+01 8.165019282e+01 1.46 7.484131390e+01 7.484131390e+01 1.48 6.855685465e+01 6.855685465e+01 1.50 6.275065588e+01 6.275065588e+01 1.52 5.737927735e+01 5.737927735e+01 1.54 5.240317488e+01 5.240317488e+01 1.56 4.778743023e+01 4.778743023e+01 1.58 4.350193286e+01 4.350193286e+01 1.60 3.952113277e+01 3.952113277e+01 1.62 3.582347535e+01 3.582347535e+01 1.64 3.239057171e+01 3.239057171e+01 1.66 2.920882897e+01 2.920882897e+01 1.68 2.626692783e+01 2.626692783e+01 1.70 2.355039667e+01 2.355039667e+01 1.72 2.104563803e+01 2.104563803e+01 1.74 1.873933170e+01 1.873933170e+01 1.76 1.661783034e+01 1.661783034e+01 1.78 1.466797985e+01 1.466797985e+01 1.80 1.287734011e+01 1.287734011e+01 1.82 1.123428969e+01 1.123428969e+01 1.84 9.728053337e+00 9.728053337e+00 1.86 8.348605611e+00 8.348605611e+00 1.88 7.086508151e+00 7.086508151e+00 1.90 5.932746529e+00 5.932746529e+00 1.92 4.878618279e+00 4.878618279e+00 1.94 3.915702502e+00 3.915702502e+00 1.96 3.035915421e+00 3.035915421e+00 1.98 2.231630765e+00 2.231630765e+00 2.00 1.495828318e+00 1.495828318e+00 2.02 8.222288166e-01 8.222288166e-01 2.04 2.053757377e-01 2.053757377e-01 2.06 -3.593610967e-01 -3.593610967e-01 2.08 -8.758598390e-01 -8.758598390e-01 2.10 -1.347375904e+00 -1.347375904e+00 2.12 -1.776693451e+00 -1.776693451e+00 2.14 -2.166269257e+00 -2.166269257e+00 2.16 -2.518350071e+00 -2.518350071e+00 2.18 -2.835057558e+00 -2.835057558e+00 2.20 -3.118445181e+00 -3.118445181e+00 2.22 -3.370536229e+00 -3.370536229e+00 2.24 -3.593352434e+00 -3.593352434e+00 2.26 -3.788940250e+00 -3.788940250e+00 2.28 -3.959361815e+00 -3.959361815e+00 2.30 -4.106646231e+00 -4.106646231e+00 2.32 -4.233264706e+00 -4.233264706e+00 2.34 -4.341740183e+00 -4.341740183e+00 2.36 -4.434488223e+00 -4.434488223e+00 2.38 -4.513709058e+00 -4.513709058e+00 2.40 -4.581077046e+00 -4.581077046e+00 2.42 -4.637484232e+00 -4.637484232e+00 2.44 -4.683716531e+00 -4.683716531e+00 2.46 -4.720531327e+00 -4.720531327e+00 2.48 -4.748632908e+00 -4.748632908e+00 2.50 -4.768664287e+00 -4.768664287e+00 2.52 -4.781210137e+00 -4.781210137e+00 2.54 -4.786825197e+00 -4.786825197e+00 2.56 -4.786032583e+00 -4.786032583e+00 2.58 -4.779265751e+00 -4.779265751e+00 2.60 -4.766950337e+00 -4.766950337e+00 2.62 -4.749509301e+00 -4.749509301e+00 2.64 -4.727361586e+00 -4.727361586e+00 2.66 -4.700920654e+00 -4.700920654e+00 2.68 -4.670594363e+00 -4.670594363e+00 2.70 -4.636783266e+00 -4.636783266e+00 2.72 -4.599843467e+00 -4.599843467e+00 2.74 -4.560225892e+00 -4.560225892e+00 2.76 -4.518509298e+00 -4.518509298e+00 2.78 -4.474581444e+00 -4.474581444e+00 2.80 -4.428328720e+00 -4.428328720e+00 2.82 -4.379677489e+00 -4.379677489e+00 2.84 -4.328585249e+00 -4.328585249e+00 2.86 -4.275036970e+00 -4.275036970e+00 2.88 -4.219044471e+00 -4.219044471e+00 2.90 -4.160646696e+00 -4.160646696e+00 2.92 -4.099924516e+00 -4.099924516e+00 2.94 -4.037014978e+00 -4.037014978e+00 2.96 -3.972074219e+00 -3.972074219e+00 2.98 -3.905269728e+00 -3.905269728e+00 3.00 -3.836777366e+00 -3.836777366e+00 3.02 -3.766776898e+00 -3.766776898e+00 3.04 -3.695446157e+00 -3.695446157e+00 3.06 -3.622954331e+00 -3.622954331e+00 3.08 -3.549455353e+00 -3.549455353e+00 3.10 -3.475082795e+00 -3.475082795e+00 3.12 -3.399947592e+00 -3.399947592e+00 3.14 -3.324139339e+00 -3.324139339e+00 3.16 -3.247731055e+00 -3.247731055e+00 3.18 -3.170786546e+00 -3.170786546e+00 3.20 -3.093369065e+00 -3.093369065e+00 3.22 -3.015549935e+00 -3.015549935e+00 3.24 -2.937415873e+00 -2.937415873e+00 3.26 -2.859074051e+00 -2.859074051e+00 3.28 -2.780654167e+00 -2.780654167e+00 3.30 -2.702307191e+00 -2.702307191e+00 3.32 -2.624200844e+00 -2.624200844e+00 3.34 -2.546512331e+00 -2.546512331e+00 3.36 -2.469419239e+00 -2.469419239e+00 3.38 -2.393089769e+00 -2.393089769e+00 3.40 -2.317673529e+00 -2.317673529e+00 3.42 -2.243293960e+00 -2.243293960e+00 3.44 -2.170043128e+00 -2.170043128e+00 3.46 -2.097979251e+00 -2.097979251e+00 3.48 -2.027126895e+00 -2.027126895e+00 3.50 -1.957479498e+00 -1.957479498e+00 3.52 -1.889003726e+00 -1.889003726e+00 3.54 -1.821645085e+00 -1.821645085e+00 3.56 -1.755334305e+00 -1.755334305e+00 3.58 -1.689994087e+00 -1.689994087e+00 3.60 -1.625545936e+00 -1.625545936e+00 3.62 -1.561916878e+00 -1.561916878e+00 3.64 -1.499045922e+00 -1.499045922e+00 3.66 -1.436890127e+00 -1.436890127e+00 3.68 -1.375430078e+00 -1.375430078e+00 3.70 -1.314674543e+00 -1.314674543e+00 3.72 -1.254663953e+00 -1.254663953e+00 3.74 -1.195472348e+00 -1.195472348e+00 3.76 -1.137207339e+00 -1.137207339e+00 3.78 -1.080007768e+00 -1.080007768e+00 3.80 -1.024038823e+00 -1.024038823e+00 3.82 -9.694846638e-01 -9.694846638e-01 3.84 -9.165388941e-01 -9.165388941e-01 3.86 -8.653935740e-01 -8.653935740e-01 3.88 -8.162277549e-01 -8.162277549e-01 3.90 -7.691966674e-01 -7.691966674e-01 3.92 -7.244226608e-01 -7.244226608e-01 3.94 -6.819887622e-01 -6.819887622e-01 3.96 -6.419353404e-01 -6.419353404e-01 3.98 -6.042599213e-01 -6.042599213e-01 4.00 -5.689198047e-01 -5.689198047e-01 4.02 -5.358368516e-01 -5.358368516e-01 4.04 -5.049036851e-01 -5.049036851e-01 4.06 -4.759905600e-01 -4.759905600e-01 4.08 -4.489522757e-01 -4.489522757e-01 4.10 -4.236346736e-01 -4.236346736e-01 4.12 -3.998804369e-01 -3.998804369e-01 4.14 -3.775340621e-01 -3.775340621e-01 4.16 -3.564459868e-01 -3.564459868e-01 4.18 -3.364759205e-01 -3.364759205e-01 4.20 -3.174954578e-01 -3.174954578e-01 4.22 -2.993900512e-01 -2.993900512e-01 4.24 -2.820604044e-01 -2.820604044e-01 4.26 -2.654233278e-01 -2.654233278e-01 4.28 -2.494120831e-01 -2.494120831e-01 4.30 -2.339762395e-01 -2.339762395e-01 4.32 -2.190810666e-01 -2.190810666e-01 4.34 -2.047064929e-01 -2.047064929e-01 4.36 -1.908456595e-01 -1.908456595e-01 4.38 -1.775030916e-01 -1.775030916e-01 4.40 -1.646925074e-01 -1.646925074e-01 4.42 -1.524342953e-01 -1.524342953e-01 4.44 -1.407527201e-01 -1.407527201e-01 4.46 -1.296729741e-01 -1.296729741e-01 4.48 -1.192182464e-01 -1.192182464e-01 4.50 -1.094070297e-01 -1.094070297e-01 4.52 -1.002508892e-01 -1.002508892e-01 4.54 -9.175288664e-02 -9.175288664e-02 4.56 -8.390677119e-02 -8.390677119e-02 4.58 -7.669695643e-02 -7.669695643e-02 4.60 -7.009919355e-02 -7.009919355e-02 4.62 -6.408181186e-02 -6.408181186e-02 4.64 -5.860731651e-02 -5.860731651e-02 4.66 -5.363415212e-02 -5.363415212e-02 4.68 -4.911844767e-02 -4.911844767e-02 4.70 -4.501564012e-02 -4.501564012e-02 4.72 -4.128160536e-02 -4.128160536e-02 4.74 -3.787427081e-02 -3.787427081e-02 4.76 -3.475478992e-02 -3.475478992e-02 4.78 -3.188757176e-02 -3.188757176e-02 4.80 -2.924079838e-02 -2.924079838e-02 4.82 -2.678674228e-02 -2.678674228e-02 4.84 -2.450190148e-02 -2.450190148e-02 4.86 -2.236697940e-02 -2.236697940e-02 4.88 -2.036672248e-02 -2.036672248e-02 4.90 -1.848962575e-02 -1.848962575e-02 4.92 -1.672751459e-02 -1.672751459e-02 4.94 -1.507501664e-02 -1.507501664e-02 4.96 -1.352885024e-02 -1.352885024e-02 4.98 -1.208723348e-02 -1.208723348e-02 5.00 -1.074946648e-02 -1.074946648e-02 5.02 -9.515066834e-03 -9.515066834e-03 5.04 -8.383235441e-03 -8.383235441e-03 5.06 -7.352460329e-03 -7.352460329e-03 5.08 -6.420272005e-03 -6.420272005e-03 5.10 -5.583149577e-03 -5.583149577e-03 5.12 -4.836559318e-03 -4.836559318e-03 5.14 -4.175094956e-03 -4.175094956e-03 5.16 -3.592683351e-03 -3.592683351e-03 5.18 -3.082820000e-03 -3.082820000e-03 5.20 -2.638804295e-03 -2.638804295e-03 5.22 -2.253952555e-03 -2.253952555e-03 5.24 -1.921775385e-03 -1.921775385e-03 5.26 -1.636113582e-03 -1.636113582e-03 5.28 -1.391232630e-03 -1.391232630e-03 5.30 -1.181879722e-03 -1.181879722e-03 5.32 -1.003309391e-03 -1.003309391e-03 5.34 -8.512845218e-04 -8.512845218e-04 5.36 -7.220593354e-04 -7.220593354e-04 5.38 -6.123501652e-04 -6.123501652e-04 5.40 -5.192988189e-04 -5.192988189e-04 5.42 -4.404322718e-04 -4.404322718e-04 5.44 -3.736214521e-04 -3.736214521e-04 5.46 -3.170410449e-04 -3.170410449e-04 5.48 -2.691315661e-04 -2.691315661e-04 5.50 -2.285644411e-04 -2.285644411e-04 5.52 -1.942104428e-04 -1.942104428e-04 5.54 -1.651115769e-04 -1.651115769e-04 5.56 -1.404563232e-04 -1.404563232e-04 5.58 -1.195580327e-04 -1.195580327e-04 5.60 -1.018362178e-04 -1.018362178e-04 5.62 -8.680044557e-05 -8.680044557e-05 5.64 -7.403653902e-05 -7.403653902e-05 5.66 -6.319480339e-05 -6.319480339e-05 5.68 -5.398001174e-05 -5.398001174e-05 5.70 -4.614290953e-05 -4.614290953e-05 5.72 -3.947302250e-05 -3.947302250e-05 5.74 -3.379257806e-05 -3.379257806e-05 5.76 -2.895137407e-05 -2.895137407e-05 5.78 -2.482245184e-05 -2.482245184e-05 5.80 -2.129844966e-05 -2.129844966e-05 5.82 -1.828853150e-05 -1.828853150e-05 5.84 -1.571580081e-05 -1.571580081e-05 5.86 -1.351512312e-05 -1.351512312e-05 5.88 -1.163129288e-05 -1.163129288e-05 5.90 -1.001748992e-05 -1.001748992e-05 5.92 -8.633979535e-06 -8.633979535e-06 5.94 -7.447017318e-06 -7.447017318e-06 5.96 -6.427926307e-06 -6.427926307e-06 5.98 -5.552318895e-06 -5.552318895e-06 6.00 -4.799440541e-06 -4.799440541e-06