# 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 = CoCuPb2 # 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 2.678280706e+02 2.678280706e+02 1.30 2.493349910e+02 2.493349910e+02 1.32 2.321645754e+02 2.321645754e+02 1.34 2.162143798e+02 2.162143798e+02 1.36 2.013883400e+02 2.013883400e+02 1.38 1.875964606e+02 1.875964606e+02 1.40 1.747559682e+02 1.747559682e+02 1.42 1.627924653e+02 1.627924653e+02 1.44 1.516398983e+02 1.516398983e+02 1.46 1.412394645e+02 1.412394645e+02 1.48 1.315380577e+02 1.315380577e+02 1.50 1.224866961e+02 1.224866961e+02 1.52 1.140393493e+02 1.140393493e+02 1.54 1.061525094e+02 1.061525094e+02 1.56 9.878524877e+01 9.878524877e+01 1.58 9.189949844e+01 9.189949844e+01 1.60 8.546027855e+01 8.546027855e+01 1.62 7.943585411e+01 7.943585411e+01 1.64 7.379766166e+01 7.379766166e+01 1.66 6.852141834e+01 6.852141834e+01 1.68 6.359665909e+01 6.359665909e+01 1.70 5.900362562e+01 5.900362562e+01 1.72 5.472054505e+01 5.472054505e+01 1.74 5.072682366e+01 5.072682366e+01 1.76 4.700298252e+01 4.700298252e+01 1.78 4.353064161e+01 4.353064161e+01 1.80 4.029248227e+01 4.029248227e+01 1.82 3.727224311e+01 3.727224311e+01 1.84 3.445474388e+01 3.445474388e+01 1.86 3.182591099e+01 3.182591099e+01 1.88 2.937276329e+01 2.937276329e+01 1.90 2.708332964e+01 2.708332964e+01 1.92 2.494653163e+01 2.494653163e+01 1.94 2.295212234e+01 2.295212234e+01 1.96 2.109063447e+01 2.109063447e+01 1.98 1.935333627e+01 1.935333627e+01 2.00 1.773214526e+01 1.773214526e+01 2.02 1.621952296e+01 1.621952296e+01 2.04 1.480839243e+01 1.480839243e+01 2.06 1.349210636e+01 1.349210636e+01 2.08 1.226445449e+01 1.226445449e+01 2.10 1.111966748e+01 1.111966748e+01 2.12 1.005241275e+01 1.005241275e+01 2.14 9.057756568e+00 9.057756568e+00 2.16 8.131117962e+00 8.131117962e+00 2.18 7.268223713e+00 7.268223713e+00 2.20 6.465070105e+00 6.465070105e+00 2.22 5.717901119e+00 5.717901119e+00 2.24 5.023195644e+00 5.023195644e+00 2.26 4.377659526e+00 4.377659526e+00 2.28 3.778216027e+00 3.778216027e+00 2.30 3.221985238e+00 3.221985238e+00 2.32 2.706250889e+00 2.706250889e+00 2.34 2.228438997e+00 2.228438997e+00 2.36 1.786085402e+00 1.786085402e+00 2.38 1.376825223e+00 1.376825223e+00 2.40 9.983936257e-01 9.983936257e-01 2.42 6.486368489e-01 6.486368489e-01 2.44 3.255276428e-01 3.255276428e-01 2.46 2.718069052e-02 2.718069052e-02 2.48 -2.481367403e-01 -2.481367403e-01 2.50 -5.020014022e-01 -5.020014022e-01 2.52 -7.358449411e-01 -7.358449411e-01 2.54 -9.509930067e-01 -9.509930067e-01 2.56 -1.148591219e+00 -1.148591219e+00 2.58 -1.329685891e+00 -1.329685891e+00 2.60 -1.495260942e+00 -1.495260942e+00 2.62 -1.646253389e+00 -1.646253389e+00 2.64 -1.783568836e+00 -1.783568836e+00 2.66 -1.908080285e+00 -1.908080285e+00 2.68 -2.020771437e+00 -2.020771437e+00 2.70 -2.122500855e+00 -2.122500855e+00 2.72 -2.213820199e+00 -2.213820199e+00 2.74 -2.295265415e+00 -2.295265415e+00 2.76 -2.367375117e+00 -2.367375117e+00 2.78 -2.430678801e+00 -2.430678801e+00 2.80 -2.485688818e+00 -2.485688818e+00 2.82 -2.532891735e+00 -2.532891735e+00 2.84 -2.572748365e+00 -2.572748365e+00 2.86 -2.605707053e+00 -2.605707053e+00 2.88 -2.632201637e+00 -2.632201637e+00 2.90 -2.652641628e+00 -2.652641628e+00 2.92 -2.667416748e+00 -2.667416748e+00 2.94 -2.676901678e+00 -2.676901678e+00 2.96 -2.681460138e+00 -2.681460138e+00 2.98 -2.681448154e+00 -2.681448154e+00 3.00 -2.677216227e+00 -2.677216227e+00 3.02 -2.669109994e+00 -2.669109994e+00 3.04 -2.657468341e+00 -2.657468341e+00 3.06 -2.642623621e+00 -2.642623621e+00 3.08 -2.624892804e+00 -2.624892804e+00 3.10 -2.604632226e+00 -2.604632226e+00 3.12 -2.582119946e+00 -2.582119946e+00 3.14 -2.557552135e+00 -2.557552135e+00 3.16 -2.531117178e+00 -2.531117178e+00 3.18 -2.502999349e+00 -2.502999349e+00 3.20 -2.473374869e+00 -2.473374869e+00 3.22 -2.442409119e+00 -2.442409119e+00 3.24 -2.410253762e+00 -2.410253762e+00 3.26 -2.377042285e+00 -2.377042285e+00 3.28 -2.342876330e+00 -2.342876330e+00 3.30 -2.307837024e+00 -2.307837024e+00 3.32 -2.271996665e+00 -2.271996665e+00 3.34 -2.235421179e+00 -2.235421179e+00 3.36 -2.198173038e+00 -2.198173038e+00 3.38 -2.160313839e+00 -2.160313839e+00 3.40 -2.121905773e+00 -2.121905773e+00 3.42 -2.083013817e+00 -2.083013817e+00 3.44 -2.043703527e+00 -2.043703527e+00 3.46 -2.004041797e+00 -2.004041797e+00 3.48 -1.964095290e+00 -1.964095290e+00 3.50 -1.923929150e+00 -1.923929150e+00 3.52 -1.883605804e+00 -1.883605804e+00 3.54 -1.843184068e+00 -1.843184068e+00 3.56 -1.802718662e+00 -1.802718662e+00 3.58 -1.762260196e+00 -1.762260196e+00 3.60 -1.721855647e+00 -1.721855647e+00 3.62 -1.681549271e+00 -1.681549271e+00 3.64 -1.641383848e+00 -1.641383848e+00 3.66 -1.601402109e+00 -1.601402109e+00 3.68 -1.561648147e+00 -1.561648147e+00 3.70 -1.522168596e+00 -1.522168596e+00 3.72 -1.483013367e+00 -1.483013367e+00 3.74 -1.444235800e+00 -1.444235800e+00 3.76 -1.405892146e+00 -1.405892146e+00 3.78 -1.368040429e+00 -1.368040429e+00 3.80 -1.330738795e+00 -1.330738795e+00 3.82 -1.294043543e+00 -1.294043543e+00 3.84 -1.258007048e+00 -1.258007048e+00 3.86 -1.222675779e+00 -1.222675779e+00 3.88 -1.188088598e+00 -1.188088598e+00 3.90 -1.154275469e+00 -1.154275469e+00 3.92 -1.121255920e+00 -1.121255920e+00 3.94 -1.089042095e+00 -1.089042095e+00 3.96 -1.057633963e+00 -1.057633963e+00 3.98 -1.027023726e+00 -1.027023726e+00 4.00 -9.971960165e-01 -9.971960165e-01 4.02 -9.681292424e-01 -9.681292424e-01 4.04 -9.397970039e-01 -9.397970039e-01 4.06 -9.121694605e-01 -9.121694605e-01 4.08 -8.852145875e-01 -8.852145875e-01 4.10 -8.588973781e-01 -8.588973781e-01 4.12 -8.331888294e-01 -8.331888294e-01 4.14 -8.080542171e-01 -8.080542171e-01 4.16 -7.834627305e-01 -7.834627305e-01 4.18 -7.593858656e-01 -7.593858656e-01 4.20 -7.357981157e-01 -7.357981157e-01 4.22 -7.126776109e-01 -7.126776109e-01 4.24 -6.900066804e-01 -6.900066804e-01 4.26 -6.677723032e-01 -6.677723032e-01 4.28 -6.459664130e-01 -6.459664130e-01 4.30 -6.245860265e-01 -6.245860265e-01 4.32 -6.036331824e-01 -6.036331824e-01 4.34 -5.831146874e-01 -5.831146874e-01 4.36 -5.630416732e-01 -5.630416732e-01 4.38 -5.434289657e-01 -5.434289657e-01 4.40 -5.242942640e-01 -5.242942640e-01 4.42 -5.056571256e-01 -5.056571256e-01 4.44 -4.875377710e-01 -4.875377710e-01 4.46 -4.699557478e-01 -4.699557478e-01 4.48 -4.529285339e-01 -4.529285339e-01 4.50 -4.364701923e-01 -4.364701923e-01 4.52 -4.205902073e-01 -4.205902073e-01 4.54 -4.052926184e-01 -4.052926184e-01 4.56 -3.905755381e-01 -3.905755381e-01 4.58 -3.764310844e-01 -3.764310844e-01 4.60 -3.628457064e-01 -3.628457064e-01 4.62 -3.498008359e-01 -3.498008359e-01 4.64 -3.372737716e-01 -3.372737716e-01 4.66 -3.252386930e-01 -3.252386930e-01 4.68 -3.136677115e-01 -3.136677115e-01 4.70 -3.025318857e-01 -3.025318857e-01 4.72 -2.918021513e-01 -2.918021513e-01 4.74 -2.814501393e-01 -2.814501393e-01 4.76 -2.714488742e-01 -2.714488742e-01 4.78 -2.617733528e-01 -2.617733528e-01 4.80 -2.523994773e-01 -2.523994773e-01 4.82 -2.433107842e-01 -2.433107842e-01 4.84 -2.344887269e-01 -2.344887269e-01 4.86 -2.259197446e-01 -2.259197446e-01 4.88 -2.175934339e-01 -2.175934339e-01 4.90 -2.095023970e-01 -2.095023970e-01 4.92 -2.016419379e-01 -2.016419379e-01 4.94 -1.940096116e-01 -1.940096116e-01 4.96 -1.866046500e-01 -1.866046500e-01 4.98 -1.794273086e-01 -1.794273086e-01 5.00 -1.724781922e-01 -1.724781922e-01 5.02 -1.657576309e-01 -1.657576309e-01 5.04 -1.592651624e-01 -1.592651624e-01 5.06 -1.529991839e-01 -1.529991839e-01 5.08 -1.469567901e-01 -1.469567901e-01 5.10 -1.411337983e-01 -1.411337983e-01 5.12 -1.355249314e-01 -1.355249314e-01 5.14 -1.301241180e-01 -1.301241180e-01 5.16 -1.249248451e-01 -1.249248451e-01 5.18 -1.199205182e-01 -1.199205182e-01 5.20 -1.151047791e-01 -1.151047791e-01 5.22 -1.104717452e-01 -1.104717452e-01 5.24 -1.060161531e-01 -1.060161531e-01 5.26 -1.017334001e-01 -1.017334001e-01 5.28 -9.761947828e-02 -9.761947828e-02 5.30 -9.367023705e-02 -9.367023705e-02 5.32 -8.988243281e-02 -8.988243281e-02 5.34 -8.625329683e-02 -8.625329683e-02 5.36 -8.277983763e-02 -8.277983763e-02 5.38 -7.945867201e-02 -7.945867201e-02 5.40 -7.628589484e-02 -7.628589484e-02 5.42 -7.325699837e-02 -7.325699837e-02 5.44 -7.036684440e-02 -7.036684440e-02 5.46 -6.760968627e-02 -6.760968627e-02 5.48 -6.497923298e-02 -6.497923298e-02 5.50 -6.246874451e-02 -6.246874451e-02 5.52 -6.007114667e-02 -6.007114667e-02 5.54 -5.777915413e-02 -5.777915413e-02 5.56 -5.558539214e-02 -5.558539214e-02 5.58 -5.348250960e-02 -5.348250960e-02 5.60 -5.146327886e-02 -5.146327886e-02 5.62 -4.952067961e-02 -4.952067961e-02 5.64 -4.764796670e-02 -4.764796670e-02 5.66 -4.583872262e-02 -4.583872262e-02 5.68 -4.408689692e-02 -4.408689692e-02 5.70 -4.238683497e-02 -4.238683497e-02 5.72 -4.073329885e-02 -4.073329885e-02 5.74 -3.912148307e-02 -3.912148307e-02 5.76 -3.754702735e-02 -3.754702735e-02 5.78 -3.600602847e-02 -3.600602847e-02 5.80 -3.449505239e-02 -3.449505239e-02 5.82 -3.301114749e-02 -3.301114749e-02 5.84 -3.155185894e-02 -3.155185894e-02 5.86 -3.011524371e-02 -3.011524371e-02 5.88 -2.869988513e-02 -2.869988513e-02 5.90 -2.730490506e-02 -2.730490506e-02 5.92 -2.592997170e-02 -2.592997170e-02 5.94 -2.457530035e-02 -2.457530035e-02 5.96 -2.324164451e-02 -2.324164451e-02 5.98 -2.193027425e-02 -2.193027425e-02 6.00 -2.064294042e-02 -2.064294042e-02