# 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 = AuFePt2 # 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 3.575207100e+02 3.575207100e+02 1.30 3.323618510e+02 3.323618510e+02 1.32 3.089394476e+02 3.089394476e+02 1.34 2.871321600e+02 2.871321600e+02 1.36 2.668241529e+02 2.668241529e+02 1.38 2.479034937e+02 2.479034937e+02 1.40 2.302648416e+02 2.302648416e+02 1.42 2.138132017e+02 2.138132017e+02 1.44 1.984633201e+02 1.984633201e+02 1.46 1.841361273e+02 1.841361273e+02 1.48 1.707570503e+02 1.707570503e+02 1.50 1.582562175e+02 1.582562175e+02 1.52 1.465678319e+02 1.465678319e+02 1.54 1.356286566e+02 1.356286566e+02 1.56 1.253774877e+02 1.253774877e+02 1.58 1.157562088e+02 1.157562088e+02 1.60 1.067114655e+02 1.067114655e+02 1.62 9.819598225e+01 9.819598225e+01 1.64 9.016923899e+01 9.016923899e+01 1.66 8.259765125e+01 8.259765125e+01 1.68 7.545440234e+01 7.545440234e+01 1.70 6.871878765e+01 6.871878765e+01 1.72 6.237464215e+01 6.237464215e+01 1.74 5.641378160e+01 5.641378160e+01 1.76 5.083092126e+01 5.083092126e+01 1.78 4.570225482e+01 4.570225482e+01 1.80 4.102852204e+01 4.102852204e+01 1.82 3.676606245e+01 3.676606245e+01 1.84 3.287549436e+01 3.287549436e+01 1.86 2.932292752e+01 2.932292752e+01 1.88 2.607969647e+01 2.607969647e+01 1.90 2.312099978e+01 2.312099978e+01 1.92 2.042421691e+01 2.042421691e+01 1.94 1.796770706e+01 1.796770706e+01 1.96 1.573046867e+01 1.573046867e+01 1.98 1.369245527e+01 1.369245527e+01 2.00 1.183506797e+01 1.183506797e+01 2.02 1.014147705e+01 1.014147705e+01 2.04 8.596693326e+00 8.596693326e+00 2.06 7.187465153e+00 7.187465153e+00 2.08 5.902087778e+00 5.902087778e+00 2.10 4.730173322e+00 4.730173322e+00 2.12 3.662411737e+00 3.662411737e+00 2.14 2.690357515e+00 2.690357515e+00 2.16 1.806274666e+00 1.806274666e+00 2.18 1.003050382e+00 1.003050382e+00 2.20 2.741602320e-01 2.741602320e-01 2.22 -3.863446318e-01 -3.863446318e-01 2.24 -9.838518879e-01 -9.838518879e-01 2.26 -1.523214612e+00 -1.523214612e+00 2.28 -2.008791118e+00 -2.008791118e+00 2.30 -2.444495658e+00 -2.444495658e+00 2.32 -2.833857290e+00 -2.833857290e+00 2.34 -3.180084506e+00 -3.180084506e+00 2.36 -3.486132881e+00 -3.486132881e+00 2.38 -3.754771937e+00 -3.754771937e+00 2.40 -3.988646057e+00 -3.988646057e+00 2.42 -4.190323264e+00 -4.190323264e+00 2.44 -4.362326462e+00 -4.362326462e+00 2.46 -4.507145431e+00 -4.507145431e+00 2.48 -4.627238186e+00 -4.627238186e+00 2.50 -4.727005857e+00 -4.727005857e+00 2.52 -4.809737511e+00 -4.809737511e+00 2.54 -4.876810116e+00 -4.876810116e+00 2.56 -4.929643061e+00 -4.929643061e+00 2.58 -4.969633765e+00 -4.969633765e+00 2.60 -4.998091884e+00 -4.998091884e+00 2.62 -5.016186004e+00 -5.016186004e+00 2.64 -5.024912791e+00 -5.024912791e+00 2.66 -5.025090458e+00 -5.025090458e+00 2.68 -5.017371535e+00 -5.017371535e+00 2.70 -5.002266970e+00 -5.002266970e+00 2.72 -4.980174329e+00 -4.980174329e+00 2.74 -4.951405385e+00 -4.951405385e+00 2.76 -4.916270891e+00 -4.916270891e+00 2.78 -4.874969367e+00 -4.874969367e+00 2.80 -4.827618032e+00 -4.827618032e+00 2.82 -4.774347385e+00 -4.774347385e+00 2.84 -4.715311674e+00 -4.715311674e+00 2.86 -4.650706495e+00 -4.650706495e+00 2.88 -4.580791918e+00 -4.580791918e+00 2.90 -4.505912151e+00 -4.505912151e+00 2.92 -4.426511152e+00 -4.426511152e+00 2.94 -4.343135562e+00 -4.343135562e+00 2.96 -4.256431118e+00 -4.256431118e+00 2.98 -4.167121225e+00 -4.167121225e+00 3.00 -4.075965732e+00 -4.075965732e+00 3.02 -3.983692474e+00 -3.983692474e+00 3.04 -3.890913201e+00 -3.890913201e+00 3.06 -3.798135539e+00 -3.798135539e+00 3.08 -3.705751894e+00 -3.705751894e+00 3.10 -3.614035758e+00 -3.614035758e+00 3.12 -3.523154650e+00 -3.523154650e+00 3.14 -3.433193537e+00 -3.433193537e+00 3.16 -3.344182176e+00 -3.344182176e+00 3.18 -3.256121303e+00 -3.256121303e+00 3.20 -3.169004352e+00 -3.169004352e+00 3.22 -3.082833237e+00 -3.082833237e+00 3.24 -2.997645857e+00 -2.997645857e+00 3.26 -2.913658162e+00 -2.913658162e+00 3.28 -2.831147328e+00 -2.831147328e+00 3.30 -2.750349516e+00 -2.750349516e+00 3.32 -2.671460503e+00 -2.671460503e+00 3.34 -2.594635613e+00 -2.594635613e+00 3.36 -2.519989560e+00 -2.519989560e+00 3.38 -2.447597273e+00 -2.447597273e+00 3.40 -2.377496189e+00 -2.377496189e+00 3.42 -2.309690025e+00 -2.309690025e+00 3.44 -2.244153685e+00 -2.244153685e+00 3.46 -2.180838819e+00 -2.180838819e+00 3.48 -2.119679485e+00 -2.119679485e+00 3.50 -2.060597459e+00 -2.060597459e+00 3.52 -2.003506881e+00 -2.003506881e+00 3.54 -1.948318048e+00 -1.948318048e+00 3.56 -1.894940323e+00 -1.894940323e+00 3.58 -1.843284194e+00 -1.843284194e+00 3.60 -1.793262612e+00 -1.793262612e+00 3.62 -1.744791737e+00 -1.744791737e+00 3.64 -1.697791256e+00 -1.697791256e+00 3.66 -1.652184403e+00 -1.652184403e+00 3.68 -1.607897807e+00 -1.607897807e+00 3.70 -1.564861272e+00 -1.564861272e+00 3.72 -1.523007551e+00 -1.523007551e+00 3.74 -1.482272176e+00 -1.482272176e+00 3.76 -1.442593371e+00 -1.442593371e+00 3.78 -1.403912039e+00 -1.403912039e+00 3.80 -1.366171836e+00 -1.366171836e+00 3.82 -1.329319303e+00 -1.329319303e+00 3.84 -1.293304028e+00 -1.293304028e+00 3.86 -1.258078828e+00 -1.258078828e+00 3.88 -1.223599925e+00 -1.223599925e+00 3.90 -1.189827117e+00 -1.189827117e+00 3.92 -1.156723947e+00 -1.156723947e+00 3.94 -1.124257899e+00 -1.124257899e+00 3.96 -1.092400610e+00 -1.092400610e+00 3.98 -1.061128160e+00 -1.061128160e+00 4.00 -1.030421413e+00 -1.030421413e+00 4.02 -1.000266410e+00 -1.000266410e+00 4.04 -9.706547848e-01 -9.706547848e-01 4.06 -9.415841100e-01 -9.415841100e-01 4.08 -9.130580993e-01 -9.130580993e-01 4.10 -8.850865323e-01 -8.850865323e-01 4.12 -8.576848339e-01 -8.576848339e-01 4.14 -8.308731245e-01 -8.308731245e-01 4.16 -8.046748541e-01 -8.046748541e-01 4.18 -7.791149675e-01 -7.791149675e-01 4.20 -7.542177808e-01 -7.542177808e-01 4.22 -7.300047692e-01 -7.300047692e-01 4.24 -7.064925008e-01 -7.064925008e-01 4.26 -6.836909324e-01 -6.836909324e-01 4.28 -6.616022187e-01 -6.616022187e-01 4.30 -6.402200931e-01 -6.402200931e-01 4.32 -6.195297871e-01 -6.195297871e-01 4.34 -5.995083879e-01 -5.995083879e-01 4.36 -5.801255014e-01 -5.801255014e-01 4.38 -5.613440963e-01 -5.613440963e-01 4.40 -5.431214302e-01 -5.431214302e-01 4.42 -5.254099976e-01 -5.254099976e-01 4.44 -5.081584697e-01 -5.081584697e-01 4.46 -4.913126198e-01 -4.913126198e-01 4.48 -4.748162387e-01 -4.748162387e-01 4.50 -4.586120523e-01 -4.586120523e-01 4.52 -4.426426561e-01 -4.426426561e-01 4.54 -4.268514871e-01 -4.268514871e-01 4.56 -4.111838556e-01 -4.111838556e-01 4.58 -3.955880626e-01 -3.955880626e-01 4.60 -3.800166282e-01 -3.800166282e-01 4.62 -3.644276479e-01 -3.644276479e-01 4.64 -3.487862768e-01 -3.487862768e-01 4.66 -3.330663221e-01 -3.330663221e-01 4.68 -3.172518872e-01 -3.172518872e-01 4.70 -3.013389771e-01 -3.013389771e-01 4.72 -2.853369346e-01 -2.853369346e-01 4.74 -2.692695415e-01 -2.692695415e-01 4.76 -2.531756025e-01 -2.531756025e-01 4.78 -2.371088274e-01 -2.371088274e-01 4.80 -2.211368586e-01 -2.211368586e-01 4.82 -2.053393674e-01 -2.053393674e-01 4.84 -1.898052036e-01 -1.898052036e-01 4.86 -1.746287497e-01 -1.746287497e-01 4.88 -1.599056932e-01 -1.599056932e-01 4.90 -1.457285542e-01 -1.457285542e-01 4.92 -1.321823481e-01 -1.321823481e-01 4.94 -1.193407584e-01 -1.193407584e-01 4.96 -1.072631347e-01 -1.072631347e-01 4.98 -9.599253989e-02 -9.599253989e-02 5.00 -8.555492001e-02 -8.555492001e-02 5.02 -7.595934137e-02 -7.595934137e-02 5.04 -6.719916315e-02 -6.719916315e-02 5.06 -5.925391505e-02 -5.925391505e-02 5.08 -5.209162795e-02 -5.209162795e-02 5.10 -4.567193724e-02 -4.567193724e-02 5.12 -3.994794400e-02 -3.994794400e-02 5.14 -3.486758714e-02 -3.486758714e-02 5.16 -3.037703221e-02 -3.037703221e-02 5.18 -2.642238576e-02 -2.642238576e-02 5.20 -2.295103285e-02 -2.295103285e-02 5.22 -1.991264473e-02 -1.991264473e-02 5.24 -1.725987854e-02 -1.725987854e-02 5.26 -1.494866233e-02 -1.494866233e-02 5.28 -1.293823025e-02 -1.293823025e-02 5.30 -1.119247196e-02 -1.119247196e-02 5.32 -9.678785054e-03 -9.678785054e-03 5.34 -8.367892415e-03 -8.367892415e-03 5.36 -7.233710424e-03 -7.233710424e-03 5.38 -6.253150388e-03 -6.253150388e-03 5.40 -5.405882899e-03 -5.405882899e-03 5.42 -4.674086302e-03 -4.674086302e-03 5.44 -4.042193799e-03 -4.042193799e-03 5.46 -3.496648800e-03 -3.496648800e-03 5.48 -3.025674461e-03 -3.025674461e-03 5.50 -2.619060811e-03 -2.619060811e-03 5.52 -2.267970975e-03 -2.267970975e-03 5.54 -1.964766808e-03 -1.964766808e-03 5.56 -1.702853404e-03 -1.702853404e-03 5.58 -1.476541436e-03 -1.476541436e-03 5.60 -1.280926000e-03 -1.280926000e-03 5.62 -1.111780500e-03 -1.111780500e-03 5.64 -9.654640620e-04 -9.654640620e-04 5.66 -8.388410212e-04 -8.388410212e-04 5.68 -7.292110887e-04 -7.292110887e-04 5.70 -6.342489151e-04 -6.342489151e-04 5.72 -5.519518778e-04 -5.519518778e-04 5.74 -4.805950399e-04 -4.805950399e-04 5.76 -4.186923385e-04 -4.186923385e-04 5.78 -3.649631737e-04 -3.649631737e-04 5.80 -3.183036657e-04 -3.183036657e-04 5.82 -2.777619414e-04 -2.777619414e-04 5.84 -2.425168941e-04 -2.425168941e-04 5.86 -2.118599323e-04 -2.118599323e-04 5.88 -1.851792999e-04 -1.851792999e-04 5.90 -1.619466047e-04 -1.619466047e-04 5.92 -1.417052456e-04 -1.417052456e-04 5.94 -1.240604682e-04 -1.240604682e-04 5.96 -1.086708187e-04 -1.086708187e-04 5.98 -9.524079850e-05 -9.524079850e-05 6.00 -8.351454769e-05 -8.351454769e-05