# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AuCuPt2 # 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 2022-05-24 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 9.084933055e+02 9.084933055e+02 1.00 8.309257576e+02 8.309257576e+02 1.02 7.606268179e+02 7.606268179e+02 1.04 6.968514374e+02 6.968514374e+02 1.06 6.389407894e+02 6.389407894e+02 1.08 5.863028879e+02 5.863028879e+02 1.10 5.384138878e+02 5.384138878e+02 1.12 4.948049945e+02 4.948049945e+02 1.14 4.550572745e+02 4.550572745e+02 1.16 4.187921417e+02 4.187921417e+02 1.18 3.856753326e+02 3.856753326e+02 1.20 3.554070289e+02 3.554070289e+02 1.22 3.277166912e+02 3.277166912e+02 1.24 3.023614073e+02 3.023614073e+02 1.26 2.791223183e+02 2.791223183e+02 1.28 2.578037016e+02 2.578037016e+02 1.30 2.382283605e+02 2.382283605e+02 1.32 2.202376528e+02 2.202376528e+02 1.34 2.036879190e+02 2.036879190e+02 1.36 1.884494562e+02 1.884494562e+02 1.38 1.744051633e+02 1.744051633e+02 1.40 1.614511122e+02 1.614511122e+02 1.42 1.494915856e+02 1.494915856e+02 1.44 1.384412352e+02 1.384412352e+02 1.46 1.282223278e+02 1.282223278e+02 1.48 1.187639811e+02 1.187639811e+02 1.50 1.100021398e+02 1.100021398e+02 1.52 1.018788675e+02 1.018788675e+02 1.54 9.434146835e+01 9.434146835e+01 1.56 8.734245357e+01 8.734245357e+01 1.58 8.083832014e+01 8.083832014e+01 1.60 7.479014411e+01 7.479014411e+01 1.62 6.916180634e+01 6.916180634e+01 1.64 6.392103643e+01 6.392103643e+01 1.66 5.903814429e+01 5.903814429e+01 1.68 5.448580599e+01 5.448580599e+01 1.70 5.023895621e+01 5.023895621e+01 1.72 4.627487625e+01 4.627487625e+01 1.74 4.257274178e+01 4.257274178e+01 1.76 3.911289751e+01 3.911289751e+01 1.78 3.587766130e+01 3.587766130e+01 1.80 3.285171441e+01 3.285171441e+01 1.82 3.002040891e+01 3.002040891e+01 1.84 2.737358305e+01 2.737358305e+01 1.86 2.489927781e+01 2.489927781e+01 1.88 2.259303753e+01 2.259303753e+01 1.90 2.044527064e+01 2.044527064e+01 1.92 1.842665918e+01 1.842665918e+01 1.94 1.655166794e+01 1.655166794e+01 1.96 1.479821069e+01 1.479821069e+01 1.98 1.315965356e+01 1.315965356e+01 2.00 1.162961618e+01 1.162961618e+01 2.02 1.020221975e+01 1.020221975e+01 2.04 8.871983640e+00 8.871983640e+00 2.06 7.633679002e+00 7.633679002e+00 2.08 6.482297606e+00 6.482297606e+00 2.10 5.413219564e+00 5.413219564e+00 2.12 4.421819974e+00 4.421819974e+00 2.14 3.503925229e+00 3.503925229e+00 2.16 2.655295624e+00 2.655295624e+00 2.18 1.872205083e+00 1.872205083e+00 2.20 1.151017804e+00 1.151017804e+00 2.22 4.880954171e-01 4.880954171e-01 2.24 -1.199449764e-01 -1.199449764e-01 2.26 -6.763066636e-01 -6.763066636e-01 2.28 -1.183747619e+00 -1.183747619e+00 2.30 -1.645107200e+00 -1.645107200e+00 2.32 -2.063635385e+00 -2.063635385e+00 2.34 -2.442204348e+00 -2.442204348e+00 2.36 -2.783370686e+00 -2.783370686e+00 2.38 -3.089564625e+00 -3.089564625e+00 2.40 -3.363089354e+00 -3.363089354e+00 2.42 -3.606057462e+00 -3.606057462e+00 2.44 -3.820624234e+00 -3.820624234e+00 2.46 -4.008758384e+00 -4.008758384e+00 2.48 -4.172360459e+00 -4.172360459e+00 2.50 -4.313290642e+00 -4.313290642e+00 2.52 -4.432998618e+00 -4.432998618e+00 2.54 -4.532926848e+00 -4.532926848e+00 2.56 -4.614375555e+00 -4.614375555e+00 2.58 -4.679099414e+00 -4.679099414e+00 2.60 -4.729364119e+00 -4.729364119e+00 2.62 -4.765779811e+00 -4.765779811e+00 2.64 -4.789235115e+00 -4.789235115e+00 2.66 -4.800999388e+00 -4.800999388e+00 2.68 -4.802025263e+00 -4.802025263e+00 2.70 -4.793069790e+00 -4.793069790e+00 2.72 -4.775071461e+00 -4.775071461e+00 2.74 -4.748861010e+00 -4.748861010e+00 2.76 -4.715209850e+00 -4.715209850e+00 2.78 -4.675273163e+00 -4.675273163e+00 2.80 -4.629576223e+00 -4.629576223e+00 2.82 -4.578452771e+00 -4.578452771e+00 2.84 -4.522485962e+00 -4.522485962e+00 2.86 -4.462218725e+00 -4.462218725e+00 2.88 -4.398088419e+00 -4.398088419e+00 2.90 -4.329983856e+00 -4.329983856e+00 2.92 -4.259321913e+00 -4.259321913e+00 2.94 -4.186236476e+00 -4.186236476e+00 2.96 -4.109849127e+00 -4.109849127e+00 2.98 -4.031404381e+00 -4.031404381e+00 3.00 -3.951580741e+00 -3.951580741e+00 3.02 -3.870660745e+00 -3.870660745e+00 3.04 -3.789078974e+00 -3.789078974e+00 3.06 -3.707129758e+00 -3.707129758e+00 3.08 -3.624765308e+00 -3.624765308e+00 3.10 -3.542017327e+00 -3.542017327e+00 3.12 -3.459196528e+00 -3.459196528e+00 3.14 -3.376560480e+00 -3.376560480e+00 3.16 -3.294251181e+00 -3.294251181e+00 3.18 -3.212405940e+00 -3.212405940e+00 3.20 -3.131148195e+00 -3.131148195e+00 3.22 -3.050588964e+00 -3.050588964e+00 3.24 -2.970815189e+00 -2.970815189e+00 3.26 -2.892570326e+00 -2.892570326e+00 3.28 -2.815471657e+00 -2.815471657e+00 3.30 -2.739362785e+00 -2.739362785e+00 3.32 -2.664307079e+00 -2.664307079e+00 3.34 -2.590361098e+00 -2.590361098e+00 3.36 -2.517574153e+00 -2.517574153e+00 3.38 -2.445988586e+00 -2.445988586e+00 3.40 -2.375652408e+00 -2.375652408e+00 3.42 -2.306742308e+00 -2.306742308e+00 3.44 -2.239118033e+00 -2.239118033e+00 3.46 -2.172808587e+00 -2.172808587e+00 3.48 -2.107802869e+00 -2.107802869e+00 3.50 -2.044091011e+00 -2.044091011e+00 3.52 -1.981636239e+00 -1.981636239e+00 3.54 -1.920425384e+00 -1.920425384e+00 3.56 -1.860522289e+00 -1.860522289e+00 3.58 -1.801973835e+00 -1.801973835e+00 3.60 -1.744759322e+00 -1.744759322e+00 3.62 -1.688788679e+00 -1.688788679e+00 3.64 -1.633992722e+00 -1.633992722e+00 3.66 -1.580394599e+00 -1.580394599e+00 3.68 -1.528082597e+00 -1.528082597e+00 3.70 -1.477124013e+00 -1.477124013e+00 3.72 -1.427506709e+00 -1.427506709e+00 3.74 -1.379188963e+00 -1.379188963e+00 3.76 -1.332125779e+00 -1.332125779e+00 3.78 -1.286282512e+00 -1.286282512e+00 3.80 -1.241634255e+00 -1.241634255e+00 3.82 -1.198171977e+00 -1.198171977e+00 3.84 -1.155893154e+00 -1.155893154e+00 3.86 -1.114786694e+00 -1.114786694e+00 3.88 -1.074817606e+00 -1.074817606e+00 3.90 -1.035959096e+00 -1.035959096e+00 3.92 -9.982001510e-01 -9.982001510e-01 3.94 -9.615358805e-01 -9.615358805e-01 3.96 -9.259459598e-01 -9.259459598e-01 3.98 -8.913012092e-01 -8.913012092e-01 4.00 -8.575485067e-01 -8.575485067e-01 4.02 -8.247310476e-01 -8.247310476e-01 4.04 -7.929274844e-01 -7.929274844e-01 4.06 -7.621966649e-01 -7.621966649e-01 4.08 -7.325779118e-01 -7.325779118e-01 4.10 -7.040975175e-01 -7.040975175e-01 4.12 -6.768743291e-01 -6.768743291e-01 4.14 -6.508688349e-01 -6.508688349e-01 4.16 -6.258561206e-01 -6.258561206e-01 4.18 -6.015794063e-01 -6.015794063e-01 4.20 -5.778331390e-01 -5.778331390e-01 4.22 -5.544700296e-01 -5.544700296e-01 4.24 -5.313893319e-01 -5.313893319e-01 4.26 -5.085268571e-01 -5.085268571e-01 4.28 -4.858218071e-01 -4.858218071e-01 4.30 -4.638319739e-01 -4.638319739e-01 4.32 -4.422834339e-01 -4.422834339e-01 4.34 -4.209275766e-01 -4.209275766e-01 4.36 -3.997289429e-01 -3.997289429e-01 4.38 -3.787810880e-01 -3.787810880e-01 4.40 -3.581850518e-01 -3.581850518e-01 4.42 -3.380547958e-01 -3.380547958e-01 4.44 -3.184811038e-01 -3.184811038e-01 4.46 -2.995311359e-01 -2.995311359e-01 4.48 -2.812525507e-01 -2.812525507e-01 4.50 -2.636769855e-01 -2.636769855e-01 4.52 -2.468229985e-01 -2.468229985e-01 4.54 -2.306985446e-01 -2.306985446e-01 4.56 -2.153028654e-01 -2.153028654e-01 4.58 -2.006123911e-01 -2.006123911e-01 4.60 -1.870770374e-01 -1.870770374e-01 4.62 -1.746325449e-01 -1.746325449e-01 4.64 -1.627920889e-01 -1.627920889e-01 4.66 -1.515515964e-01 -1.515515964e-01 4.68 -1.408896570e-01 -1.408896570e-01 4.70 -1.307839074e-01 -1.307839074e-01 4.72 -1.212114847e-01 -1.212114847e-01 4.74 -1.121493397e-01 -1.121493397e-01 4.76 -1.035744910e-01 -1.035744910e-01 4.78 -9.546422186e-02 -9.546422186e-02 4.80 -8.779307956e-02 -8.779307956e-02 4.82 -8.063598334e-02 -8.063598334e-02 4.84 -7.390855658e-02 -7.390855658e-02 4.86 -6.755114207e-02 -6.755114207e-02 4.88 -6.154467018e-02 -6.154467018e-02 4.90 -5.587082064e-02 -5.587082064e-02 4.92 -5.051166000e-02 -5.051166000e-02 4.94 -4.540563791e-02 -4.540563791e-02 4.96 -4.122976896e-02 -4.122976896e-02 4.98 -3.791855784e-02 -3.791855784e-02 5.00 -3.475421717e-02 -3.475421717e-02 5.02 -3.177024879e-02 -3.177024879e-02 5.04 -2.895693613e-02 -2.895693613e-02 5.06 -2.630474469e-02 -2.630474469e-02 5.08 -2.380464069e-02 -2.380464069e-02 5.10 -2.144806985e-02 -2.144806985e-02 5.12 -1.922693628e-02 -1.922693628e-02 5.14 -1.713358134e-02 -1.713358134e-02 5.16 -1.516076273e-02 -1.516076273e-02 5.18 -1.330163427e-02 -1.330163427e-02 5.20 -1.154972626e-02 -1.154972626e-02 5.22 -9.898926566e-03 -9.898926566e-03 5.24 -8.343461953e-03 -8.343461953e-03 5.26 -6.877858449e-03 -6.877858449e-03 5.28 -5.498406783e-03 -5.498406783e-03 5.30 -4.231479959e-03 -4.231479959e-03 5.32 -3.734438662e-03 -3.734438662e-03 5.34 -3.289413137e-03 -3.289413137e-03 5.36 -2.876190496e-03 -2.876190496e-03 5.38 -2.487659092e-03 -2.487659092e-03 5.40 -2.122391379e-03 -2.122391379e-03 5.42 -1.779039374e-03 -1.779039374e-03 5.44 -1.456330383e-03 -1.456330383e-03 5.46 -1.153062958e-03 -1.153062958e-03 5.48 -8.681030839e-04 -8.681030839e-04 5.50 -6.003805584e-04 -6.003805584e-04 5.52 -3.488855084e-04 -3.488855084e-04 5.54 -1.111487262e-04 -1.111487262e-04 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00