# 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 = AlMo2Pb # 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 2.925702755e+02 2.925702755e+02 1.30 2.727073355e+02 2.727073355e+02 1.32 2.542367619e+02 2.542367619e+02 1.34 2.370457784e+02 2.370457784e+02 1.36 2.210352140e+02 2.210352140e+02 1.38 2.061174793e+02 2.061174793e+02 1.40 1.922141202e+02 1.922141202e+02 1.42 1.792531642e+02 1.792531642e+02 1.44 1.671670280e+02 1.671670280e+02 1.46 1.558914354e+02 1.558914354e+02 1.48 1.453653906e+02 1.453653906e+02 1.50 1.355320160e+02 1.355320160e+02 1.52 1.263396183e+02 1.263396183e+02 1.54 1.177421198e+02 1.177421198e+02 1.56 1.096985351e+02 1.096985351e+02 1.58 1.021718866e+02 1.021718866e+02 1.60 9.512804044e+01 9.512804044e+01 1.62 8.853477413e+01 8.853477413e+01 1.64 8.236117604e+01 8.236117604e+01 1.66 7.657746057e+01 7.657746057e+01 1.68 7.115518596e+01 7.115518596e+01 1.70 6.606779012e+01 6.606779012e+01 1.72 6.129121218e+01 6.129121218e+01 1.74 5.680455973e+01 5.680455973e+01 1.76 5.259368414e+01 5.259368414e+01 1.78 4.864449207e+01 4.864449207e+01 1.80 4.494678490e+01 4.494678490e+01 1.82 4.149539647e+01 4.149539647e+01 1.84 3.827936793e+01 3.827936793e+01 1.86 3.528624641e+01 3.528624641e+01 1.88 3.250335538e+01 3.250335538e+01 1.90 2.991787360e+01 2.991787360e+01 1.92 2.751704221e+01 2.751704221e+01 1.94 2.528835802e+01 2.528835802e+01 1.96 2.321966823e+01 2.321966823e+01 1.98 2.129920610e+01 2.129920610e+01 2.00 1.951563229e+01 1.951563229e+01 2.02 1.785812395e+01 1.785812395e+01 2.04 1.631648209e+01 1.631648209e+01 2.06 1.488120681e+01 1.488120681e+01 2.08 1.354351774e+01 1.354351774e+01 2.10 1.229533855e+01 1.229533855e+01 2.12 1.112928195e+01 1.112928195e+01 2.14 1.003864773e+01 1.003864773e+01 2.16 9.017432759e+00 9.017432759e+00 2.18 8.060332700e+00 8.060332700e+00 2.20 7.162714696e+00 7.162714696e+00 2.22 6.320560156e+00 6.320560156e+00 2.24 5.530380115e+00 5.530380115e+00 2.26 4.789118883e+00 4.789118883e+00 2.28 4.094058662e+00 4.094058662e+00 2.30 3.442740081e+00 3.442740081e+00 2.32 2.832893722e+00 2.832893722e+00 2.34 2.262400167e+00 2.262400167e+00 2.36 1.729256206e+00 1.729256206e+00 2.38 1.231558823e+00 1.231558823e+00 2.40 7.674973668e-01 7.674973668e-01 2.42 3.353524664e-01 3.353524664e-01 2.44 -6.650266763e-02 -6.650266763e-02 2.46 -4.396002506e-01 -4.396002506e-01 2.48 -7.853802731e-01 -7.853802731e-01 2.50 -1.105199360e+00 -1.105199360e+00 2.52 -1.400346840e+00 -1.400346840e+00 2.54 -1.671970643e+00 -1.671970643e+00 2.56 -1.921125409e+00 -1.921125409e+00 2.58 -2.149237259e+00 -2.149237259e+00 2.60 -2.357713509e+00 -2.357713509e+00 2.62 -2.547905411e+00 -2.547905411e+00 2.64 -2.721087626e+00 -2.721087626e+00 2.66 -2.878428993e+00 -2.878428993e+00 2.68 -3.020980107e+00 -3.020980107e+00 2.70 -3.149661074e+00 -3.149661074e+00 2.72 -3.265032495e+00 -3.265032495e+00 2.74 -3.367380991e+00 -3.367380991e+00 2.76 -3.457012152e+00 -3.457012152e+00 2.78 -3.534267073e+00 -3.534267073e+00 2.80 -3.599524787e+00 -3.599524787e+00 2.82 -3.653203035e+00 -3.653203035e+00 2.84 -3.695759758e+00 -3.695759758e+00 2.86 -3.727695497e+00 -3.727695497e+00 2.88 -3.749557145e+00 -3.749557145e+00 2.90 -3.762214700e+00 -3.762214700e+00 2.92 -3.766808868e+00 -3.766808868e+00 2.94 -3.763810573e+00 -3.763810573e+00 2.96 -3.753743697e+00 -3.753743697e+00 2.98 -3.737197805e+00 -3.737197805e+00 3.00 -3.714806503e+00 -3.714806503e+00 3.02 -3.687222056e+00 -3.687222056e+00 3.04 -3.655087922e+00 -3.655087922e+00 3.06 -3.619018474e+00 -3.619018474e+00 3.08 -3.579586795e+00 -3.579586795e+00 3.10 -3.537292333e+00 -3.537292333e+00 3.12 -3.492542223e+00 -3.492542223e+00 3.14 -3.445651183e+00 -3.445651183e+00 3.16 -3.396838492e+00 -3.396838492e+00 3.18 -3.346240599e+00 -3.346240599e+00 3.20 -3.293922125e+00 -3.293922125e+00 3.22 -3.239890124e+00 -3.239890124e+00 3.24 -3.184109356e+00 -3.184109356e+00 3.26 -3.126518084e+00 -3.126518084e+00 3.28 -3.067044271e+00 -3.067044271e+00 3.30 -3.005622101e+00 -3.005622101e+00 3.32 -2.942240016e+00 -2.942240016e+00 3.34 -2.876913174e+00 -2.876913174e+00 3.36 -2.809574352e+00 -2.809574352e+00 3.38 -2.740235211e+00 -2.740235211e+00 3.40 -2.669002596e+00 -2.669002596e+00 3.42 -2.596075580e+00 -2.596075580e+00 3.44 -2.521698071e+00 -2.521698071e+00 3.46 -2.446188922e+00 -2.446188922e+00 3.48 -2.369952801e+00 -2.369952801e+00 3.50 -2.293456159e+00 -2.293456159e+00 3.52 -2.217198698e+00 -2.217198698e+00 3.54 -2.141683512e+00 -2.141683512e+00 3.56 -2.067389065e+00 -2.067389065e+00 3.58 -1.994745732e+00 -1.994745732e+00 3.60 -1.924118732e+00 -1.924118732e+00 3.62 -1.855798203e+00 -1.855798203e+00 3.64 -1.789996163e+00 -1.789996163e+00 3.66 -1.726849288e+00 -1.726849288e+00 3.68 -1.666425988e+00 -1.666425988e+00 3.70 -1.608736103e+00 -1.608736103e+00 3.72 -1.553741714e+00 -1.553741714e+00 3.74 -1.501367818e+00 -1.501367818e+00 3.76 -1.451512077e+00 -1.451512077e+00 3.78 -1.404053186e+00 -1.404053186e+00 3.80 -1.358857741e+00 -1.358857741e+00 3.82 -1.315785714e+00 -1.315785714e+00 3.84 -1.274694716e+00 -1.274694716e+00 3.86 -1.235443285e+00 -1.235443285e+00 3.88 -1.197893377e+00 -1.197893377e+00 3.90 -1.161912202e+00 -1.161912202e+00 3.92 -1.127373115e+00 -1.127373115e+00 3.94 -1.094158141e+00 -1.094158141e+00 3.96 -1.062155726e+00 -1.062155726e+00 3.98 -1.031262757e+00 -1.031262757e+00 4.00 -1.001383959e+00 -1.001383959e+00 4.02 -9.724316629e-01 -9.724316629e-01 4.04 -9.443255242e-01 -9.443255242e-01 4.06 -9.169922630e-01 -9.169922630e-01 4.08 -8.903654979e-01 -8.903654979e-01 4.10 -8.643843825e-01 -8.643843825e-01 4.12 -8.389993129e-01 -8.389993129e-01 4.14 -8.141634547e-01 -8.141634547e-01 4.16 -7.898393356e-01 -7.898393356e-01 4.18 -7.659977258e-01 -7.659977258e-01 4.20 -7.426181321e-01 -7.426181321e-01 4.22 -7.196891520e-01 -7.196891520e-01 4.24 -6.972085491e-01 -6.972085491e-01 4.26 -6.751829076e-01 -6.751829076e-01 4.28 -6.536267591e-01 -6.536267591e-01 4.30 -6.325611271e-01 -6.325611271e-01 4.32 -6.120115204e-01 -6.120115204e-01 4.34 -5.920054986e-01 -5.920054986e-01 4.36 -5.725700167e-01 -5.725700167e-01 4.38 -5.537288128e-01 -5.537288128e-01 4.40 -5.355001050e-01 -5.355001050e-01 4.42 -5.178948265e-01 -5.178948265e-01 4.44 -5.009155396e-01 -5.009155396e-01 4.46 -4.845560723e-01 -4.845560723e-01 4.48 -4.688018183e-01 -4.688018183e-01 4.50 -4.536305613e-01 -4.536305613e-01 4.52 -4.390136740e-01 -4.390136740e-01 4.54 -4.249175024e-01 -4.249175024e-01 4.56 -4.113047703e-01 -4.113047703e-01 4.58 -3.981359070e-01 -3.981359070e-01 4.60 -3.853702286e-01 -3.853702286e-01 4.62 -3.729665983e-01 -3.729665983e-01 4.64 -3.608844940e-01 -3.608844940e-01 4.66 -3.490858587e-01 -3.490858587e-01 4.68 -3.375342665e-01 -3.375342665e-01 4.70 -3.261955019e-01 -3.261955019e-01 4.72 -3.150381141e-01 -3.150381141e-01 4.74 -3.040339244e-01 -3.040339244e-01 4.76 -2.931585238e-01 -2.931585238e-01 4.78 -2.823917784e-01 -2.823917784e-01 4.80 -2.717175390e-01 -2.717175390e-01 4.82 -2.611274749e-01 -2.611274749e-01 4.84 -2.506163010e-01 -2.506163010e-01 4.86 -2.401857575e-01 -2.401857575e-01 4.88 -2.298438294e-01 -2.298438294e-01 4.90 -2.196046931e-01 -2.196046931e-01 4.92 -2.094883782e-01 -2.094883782e-01 4.94 -1.995201101e-01 -1.995201101e-01 4.96 -1.897293275e-01 -1.897293275e-01 4.98 -1.801484042e-01 -1.801484042e-01 5.00 -1.708111448e-01 -1.708111448e-01 5.02 -1.617511577e-01 -1.617511577e-01 5.04 -1.530002295e-01 -1.530002295e-01 5.06 -1.445868335e-01 -1.445868335e-01 5.08 -1.365348880e-01 -1.365348880e-01 5.10 -1.288628563e-01 -1.288628563e-01 5.12 -1.215832363e-01 -1.215832363e-01 5.14 -1.147024408e-01 -1.147024408e-01 5.16 -1.082210363e-01 -1.082210363e-01 5.18 -1.021342692e-01 -1.021342692e-01 5.20 -9.643279622e-02 -9.643279622e-02 5.22 -9.110352912e-02 -9.110352912e-02 5.24 -8.613051013e-02 -8.613051013e-02 5.26 -8.149573352e-02 -8.149573352e-02 5.28 -7.717983209e-02 -7.717983209e-02 5.30 -7.316292920e-02 -7.316292920e-02 5.32 -6.942504342e-02 -6.942504342e-02 5.34 -6.594645330e-02 -6.594645330e-02 5.36 -6.270797957e-02 -6.270797957e-02 5.38 -5.969117634e-02 -5.969117634e-02 5.40 -5.687845105e-02 -5.687845105e-02 5.42 -5.425313178e-02 -5.425313178e-02 5.44 -5.179949752e-02 -5.179949752e-02 5.46 -4.950278613e-02 -4.950278613e-02 5.48 -4.734918408e-02 -4.734918408e-02 5.50 -4.532580709e-02 -4.532580709e-02 5.52 -4.342067465e-02 -4.342067465e-02 5.54 -4.162267988e-02 -4.162267988e-02 5.56 -3.992155590e-02 -3.992155590e-02 5.58 -3.830783929e-02 -3.830783929e-02 5.60 -3.677283126e-02 -3.677283126e-02 5.62 -3.530855728e-02 -3.530855728e-02 5.64 -3.390772647e-02 -3.390772647e-02 5.66 -3.256368936e-02 -3.256368936e-02 5.68 -3.127039930e-02 -3.127039930e-02 5.70 -3.002237580e-02 -3.002237580e-02 5.72 -2.881467097e-02 -2.881467097e-02 5.74 -2.764284014e-02 -2.764284014e-02 5.76 -2.650291716e-02 -2.650291716e-02 5.78 -2.539139479e-02 -2.539139479e-02 5.80 -2.430521007e-02 -2.430521007e-02 5.82 -2.324173453e-02 -2.324173453e-02 5.84 -2.219876847e-02 -2.219876847e-02 5.86 -2.117453840e-02 -2.117453840e-02 5.88 -2.016769643e-02 -2.016769643e-02 5.90 -1.917731975e-02 -1.917731975e-02 5.92 -1.820290864e-02 -1.820290864e-02 5.94 -1.724437397e-02 -1.724437397e-02 5.96 -1.630194600e-02 -1.630194600e-02 5.98 -1.537632678e-02 -1.537632678e-02 6.00 -1.446861101e-02 -1.446861101e-02