# 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 = Fe2MoTi # 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 2.373573837e+02 2.373573837e+02 1.30 2.177154947e+02 2.177154947e+02 1.32 1.996669152e+02 1.996669152e+02 1.34 1.830677542e+02 1.830677542e+02 1.36 1.677882712e+02 1.677882712e+02 1.38 1.537126106e+02 1.537126106e+02 1.40 1.407380314e+02 1.407380314e+02 1.42 1.287739132e+02 1.287739132e+02 1.44 1.177407116e+02 1.177407116e+02 1.46 1.075686479e+02 1.075686479e+02 1.48 9.819586673e+01 9.819586673e+01 1.50 8.956629623e+01 8.956629623e+01 1.52 8.162775340e+01 8.162775340e+01 1.54 7.433069289e+01 7.433069289e+01 1.56 6.762769257e+01 6.762769257e+01 1.58 6.147346093e+01 6.147346093e+01 1.60 5.582502674e+01 5.582502674e+01 1.62 5.064190046e+01 5.064190046e+01 1.64 4.588614030e+01 4.588614030e+01 1.66 4.152229763e+01 4.152229763e+01 1.68 3.751727436e+01 3.751727436e+01 1.70 3.384020326e+01 3.384020326e+01 1.72 3.046244217e+01 3.046244217e+01 1.74 2.735908034e+01 2.735908034e+01 1.76 2.450823587e+01 2.450823587e+01 1.78 2.188774816e+01 2.188774816e+01 1.80 1.947783475e+01 1.947783475e+01 1.82 1.726086241e+01 1.726086241e+01 1.84 1.522126962e+01 1.522126962e+01 1.86 1.334542708e+01 1.334542708e+01 1.88 1.162137982e+01 1.162137982e+01 1.90 1.003848952e+01 1.003848952e+01 1.92 8.587048176e+00 8.587048176e+00 1.94 7.257950281e+00 7.257950281e+00 1.96 6.042481847e+00 6.042481847e+00 1.98 4.932230987e+00 4.932230987e+00 2.00 3.919078348e+00 3.919078348e+00 2.02 2.995222173e+00 2.995222173e+00 2.04 2.153218413e+00 2.153218413e+00 2.06 1.386033916e+00 1.386033916e+00 2.08 6.871074055e-01 6.871074055e-01 2.10 5.040291521e-02 5.040291521e-02 2.12 -5.295611181e-01 -5.295611181e-01 2.14 -1.057713972e+00 -1.057713972e+00 2.16 -1.538460866e+00 -1.538460866e+00 2.18 -1.975729122e+00 -1.975729122e+00 2.20 -2.373026068e+00 -2.373026068e+00 2.22 -2.733504272e+00 -2.733504272e+00 2.24 -3.060026083e+00 -3.060026083e+00 2.26 -3.355217232e+00 -3.355217232e+00 2.28 -3.621501923e+00 -3.621501923e+00 2.30 -3.861118579e+00 -3.861118579e+00 2.32 -4.076124254e+00 -4.076124254e+00 2.34 -4.268395321e+00 -4.268395321e+00 2.36 -4.439632928e+00 -4.439632928e+00 2.38 -4.591375921e+00 -4.591375921e+00 2.40 -4.725013080e+00 -4.725013080e+00 2.42 -4.841676453e+00 -4.841676453e+00 2.44 -4.942642655e+00 -4.942642655e+00 2.46 -5.029178807e+00 -5.029178807e+00 2.48 -5.102450180e+00 -5.102450180e+00 2.50 -5.163534577e+00 -5.163534577e+00 2.52 -5.213430186e+00 -5.213430186e+00 2.54 -5.253109637e+00 -5.253109637e+00 2.56 -5.283369155e+00 -5.283369155e+00 2.58 -5.304660444e+00 -5.304660444e+00 2.60 -5.317368383e+00 -5.317368383e+00 2.62 -5.321884796e+00 -5.321884796e+00 2.64 -5.318599144e+00 -5.318599144e+00 2.66 -5.307892640e+00 -5.307892640e+00 2.68 -5.290086893e+00 -5.290086893e+00 2.70 -5.265348407e+00 -5.265348407e+00 2.72 -5.233835252e+00 -5.233835252e+00 2.74 -5.195725245e+00 -5.195725245e+00 2.76 -5.151212686e+00 -5.151212686e+00 2.78 -5.100508696e+00 -5.100508696e+00 2.80 -5.043821145e+00 -5.043821145e+00 2.82 -4.981373351e+00 -4.981373351e+00 2.84 -4.913410581e+00 -4.913410581e+00 2.86 -4.840205087e+00 -4.840205087e+00 2.88 -4.762061497e+00 -4.762061497e+00 2.90 -4.679321135e+00 -4.679321135e+00 2.92 -4.592327803e+00 -4.592327803e+00 2.94 -4.501235711e+00 -4.501235711e+00 2.96 -4.406202112e+00 -4.406202112e+00 2.98 -4.307483910e+00 -4.307483910e+00 3.00 -4.205413182e+00 -4.205413182e+00 3.02 -4.100370940e+00 -4.100370940e+00 3.04 -3.992760772e+00 -3.992760772e+00 3.06 -3.882984392e+00 -3.882984392e+00 3.08 -3.771420526e+00 -3.771420526e+00 3.10 -3.658411009e+00 -3.658411009e+00 3.12 -3.544255011e+00 -3.544255011e+00 3.14 -3.429212394e+00 -3.429212394e+00 3.16 -3.313514153e+00 -3.313514153e+00 3.18 -3.197377845e+00 -3.197377845e+00 3.20 -3.081023990e+00 -3.081023990e+00 3.22 -2.964690576e+00 -2.964690576e+00 3.24 -2.848643265e+00 -2.848643265e+00 3.26 -2.733180031e+00 -2.733180031e+00 3.28 -2.618630007e+00 -2.618630007e+00 3.30 -2.505347289e+00 -2.505347289e+00 3.32 -2.393701146e+00 -2.393701146e+00 3.34 -2.284064445e+00 -2.284064445e+00 3.36 -2.176802091e+00 -2.176802091e+00 3.38 -2.072260903e+00 -2.072260903e+00 3.40 -1.970761709e+00 -1.970761709e+00 3.42 -1.872593937e+00 -1.872593937e+00 3.44 -1.778012020e+00 -1.778012020e+00 3.46 -1.687233356e+00 -1.687233356e+00 3.48 -1.600436800e+00 -1.600436800e+00 3.50 -1.517761272e+00 -1.517761272e+00 3.52 -1.439304164e+00 -1.439304164e+00 3.54 -1.365119565e+00 -1.365119565e+00 3.56 -1.295216611e+00 -1.295216611e+00 3.58 -1.229558487e+00 -1.229558487e+00 3.60 -1.168062757e+00 -1.168062757e+00 3.62 -1.110603615e+00 -1.110603615e+00 3.64 -1.057016361e+00 -1.057016361e+00 3.66 -1.007103986e+00 -1.007103986e+00 3.68 -9.606452976e-01 -9.606452976e-01 3.70 -9.174037360e-01 -9.174037360e-01 3.72 -8.771359718e-01 -8.771359718e-01 3.74 -8.395995447e-01 -8.395995447e-01 3.76 -8.045590812e-01 -8.045590812e-01 3.78 -7.717908578e-01 -7.717908578e-01 3.80 -7.410856322e-01 -7.410856322e-01 3.82 -7.122513484e-01 -7.122513484e-01 3.84 -6.851130313e-01 -6.851130313e-01 3.86 -6.595126070e-01 -6.595126070e-01 3.88 -6.353083165e-01 -6.353083165e-01 3.90 -6.123737286e-01 -6.123737286e-01 3.92 -5.905965004e-01 -5.905965004e-01 3.94 -5.698771982e-01 -5.698771982e-01 3.96 -5.501277816e-01 -5.501277816e-01 3.98 -5.312704733e-01 -5.312704733e-01 4.00 -5.132365286e-01 -5.132365286e-01 4.02 -4.959651387e-01 -4.959651387e-01 4.04 -4.794024391e-01 -4.794024391e-01 4.06 -4.635006218e-01 -4.635006218e-01 4.08 -4.482171489e-01 -4.482171489e-01 4.10 -4.335139829e-01 -4.335139829e-01 4.12 -4.193573085e-01 -4.193573085e-01 4.14 -4.057164891e-01 -4.057164891e-01 4.16 -3.925639733e-01 -3.925639733e-01 4.18 -3.798748017e-01 -3.798748017e-01 4.20 -3.676262654e-01 -3.676262654e-01 4.22 -3.557976111e-01 -3.557976111e-01 4.24 -3.443697865e-01 -3.443697865e-01 4.26 -3.333252217e-01 -3.333252217e-01 4.28 -3.226476402e-01 -3.226476402e-01 4.30 -3.123218959e-01 -3.123218959e-01 4.32 -3.023338329e-01 -3.023338329e-01 4.34 -2.926701633e-01 -2.926701633e-01 4.36 -2.833183614e-01 -2.833183614e-01 4.38 -2.742665723e-01 -2.742665723e-01 4.40 -2.655035306e-01 -2.655035306e-01 4.42 -2.570184903e-01 -2.570184903e-01 4.44 -2.488011619e-01 -2.488011619e-01 4.46 -2.408416577e-01 -2.408416577e-01 4.48 -2.331304421e-01 -2.331304421e-01 4.50 -2.256582876e-01 -2.256582876e-01 4.52 -2.184162353e-01 -2.184162353e-01 4.54 -2.113955604e-01 -2.113955604e-01 4.56 -2.045877403e-01 -2.045877403e-01 4.58 -1.979844282e-01 -1.979844282e-01 4.60 -1.915774308e-01 -1.915774308e-01 4.62 -1.853586906e-01 -1.853586906e-01 4.64 -1.793202750e-01 -1.793202750e-01 4.66 -1.734543718e-01 -1.734543718e-01 4.68 -1.677532940e-01 -1.677532940e-01 4.70 -1.622094956e-01 -1.622094956e-01 4.72 -1.568155990e-01 -1.568155990e-01 4.74 -1.515644389e-01 -1.515644389e-01 4.76 -1.464491226e-01 -1.464491226e-01 4.78 -1.414631087e-01 -1.414631087e-01 4.80 -1.366002638e-01 -1.366002638e-01 4.82 -1.318551552e-01 -1.318551552e-01 4.84 -1.272229080e-01 -1.272229080e-01 4.86 -1.226995364e-01 -1.226995364e-01 4.88 -1.182820313e-01 -1.182820313e-01 4.90 -1.139684812e-01 -1.139684812e-01 4.92 -1.097581595e-01 -1.097581595e-01 4.94 -1.056515583e-01 -1.056515583e-01 4.96 -1.016503466e-01 -1.016503466e-01 4.98 -9.775724736e-02 -9.775724736e-02 5.00 -9.397582043e-02 -9.397582043e-02 5.02 -9.031015973e-02 -9.031015973e-02 5.04 -8.676452312e-02 -8.676452312e-02 5.06 -8.334292720e-02 -8.334292720e-02 5.08 -8.004868812e-02 -8.004868812e-02 5.10 -7.688404819e-02 -7.688404819e-02 5.12 -7.385021709e-02 -7.385021709e-02 5.14 -7.094695447e-02 -7.094695447e-02 5.16 -6.817250292e-02 -6.817250292e-02 5.18 -6.552365108e-02 -6.552365108e-02 5.20 -6.299588687e-02 -6.299588687e-02 5.22 -6.058361271e-02 -6.058361271e-02 5.24 -5.828039295e-02 -5.828039295e-02 5.26 -5.607920624e-02 -5.607920624e-02 5.28 -5.397268155e-02 -5.397268155e-02 5.30 -5.195330377e-02 -5.195330377e-02 5.32 -5.001358173e-02 -5.001358173e-02 5.34 -4.814617723e-02 -4.814617723e-02 5.36 -4.634399820e-02 -4.634399820e-02 5.38 -4.460026151e-02 -4.460026151e-02 5.40 -4.290853227e-02 -4.290853227e-02 5.42 -4.126274706e-02 -4.126274706e-02 5.44 -3.965722786e-02 -3.965722786e-02 5.46 -3.808669275e-02 -3.808669275e-02 5.48 -3.654626863e-02 -3.654626863e-02 5.50 -3.503151003e-02 -3.503151003e-02 5.52 -3.353842685e-02 -3.353842685e-02 5.54 -3.206352320e-02 -3.206352320e-02 5.56 -3.060384632e-02 -3.060384632e-02 5.58 -2.915704644e-02 -2.915704644e-02 5.60 -2.772144406e-02 -2.772144406e-02 5.62 -2.629610002e-02 -2.629610002e-02 5.64 -2.488088237e-02 -2.488088237e-02 5.66 -2.347652216e-02 -2.347652216e-02 5.68 -2.208464919e-02 -2.208464919e-02 5.70 -2.070779820e-02 -2.070779820e-02 5.72 -1.934937657e-02 -1.934937657e-02 5.74 -1.801358669e-02 -1.801358669e-02 5.76 -1.670529479e-02 -1.670529479e-02 5.78 -1.542961763e-02 -1.542961763e-02 5.80 -1.419214914e-02 -1.419214914e-02 5.82 -1.299868430e-02 -1.299868430e-02 5.84 -1.185477768e-02 -1.185477768e-02 5.86 -1.076548960e-02 -1.076548960e-02 5.88 -9.735159474e-03 -9.735159474e-03 5.90 -8.767224049e-03 -8.767224049e-03 5.92 -7.864093155e-03 -7.864093155e-03 5.94 -7.027089368e-03 -7.027089368e-03 5.96 -6.256451228e-03 -6.256451228e-03 5.98 -5.551393549e-03 -5.551393549e-03 6.00 -4.910213828e-03 -4.910213828e-03