# 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 = AuCoNi2 # 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 1.627122493e+02 1.627122493e+02 1.30 1.495831052e+02 1.495831052e+02 1.32 1.374797753e+02 1.374797753e+02 1.34 1.263173062e+02 1.263173062e+02 1.36 1.160191062e+02 1.160191062e+02 1.38 1.065159091e+02 1.065159091e+02 1.40 9.774463062e+01 9.774463062e+01 1.42 8.964742070e+01 8.964742070e+01 1.44 8.217084531e+01 8.217084531e+01 1.46 7.526527410e+01 7.526527410e+01 1.48 6.888479548e+01 6.888479548e+01 1.50 6.298758839e+01 6.298758839e+01 1.52 5.753602210e+01 5.753602210e+01 1.54 5.249602863e+01 5.249602863e+01 1.56 4.783614867e+01 4.783614867e+01 1.58 4.352685602e+01 4.352685602e+01 1.60 3.954038387e+01 3.954038387e+01 1.62 3.585090406e+01 3.585090406e+01 1.64 3.243842611e+01 3.243842611e+01 1.66 2.929244156e+01 2.929244156e+01 1.68 2.639335998e+01 2.639335998e+01 1.70 2.372191738e+01 2.372191738e+01 1.72 2.126044562e+01 2.126044562e+01 1.74 1.899277777e+01 1.899277777e+01 1.76 1.690413736e+01 1.690413736e+01 1.78 1.498110368e+01 1.498110368e+01 1.80 1.321155173e+01 1.321155173e+01 1.82 1.158448856e+01 1.158448856e+01 1.84 1.008982769e+01 1.008982769e+01 1.86 8.718189230e+00 8.718189230e+00 1.88 7.460757815e+00 7.460757815e+00 1.90 6.309179770e+00 6.309179770e+00 1.92 5.255482149e+00 5.255482149e+00 1.94 4.292021196e+00 4.292021196e+00 1.96 3.411483948e+00 3.411483948e+00 1.98 2.606957184e+00 2.606957184e+00 2.00 1.872040976e+00 1.872040976e+00 2.02 1.200948782e+00 1.200948782e+00 2.04 5.885397869e-01 5.885397869e-01 2.06 3.027174974e-02 3.027174974e-02 2.08 -4.778951845e-01 -4.778951845e-01 2.10 -9.396021445e-01 -9.396021445e-01 2.12 -1.358176753e+00 -1.358176753e+00 2.14 -1.736694242e+00 -1.736694242e+00 2.16 -2.078019870e+00 -2.078019870e+00 2.18 -2.384839890e+00 -2.384839890e+00 2.20 -2.659685642e+00 -2.659685642e+00 2.22 -2.904951746e+00 -2.904951746e+00 2.24 -3.122907018e+00 -3.122907018e+00 2.26 -3.315697855e+00 -3.315697855e+00 2.28 -3.485348178e+00 -3.485348178e+00 2.30 -3.633762578e+00 -3.633762578e+00 2.32 -3.762735558e+00 -3.762735558e+00 2.34 -3.873961417e+00 -3.873961417e+00 2.36 -3.969034898e+00 -3.969034898e+00 2.38 -4.049437952e+00 -4.049437952e+00 2.40 -4.116519133e+00 -4.116519133e+00 2.42 -4.171479374e+00 -4.171479374e+00 2.44 -4.215418657e+00 -4.215418657e+00 2.46 -4.249248609e+00 -4.249248609e+00 2.48 -4.273739896e+00 -4.273739896e+00 2.50 -4.289612043e+00 -4.289612043e+00 2.52 -4.297556476e+00 -4.297556476e+00 2.54 -4.298309639e+00 -4.298309639e+00 2.56 -4.292537936e+00 -4.292537936e+00 2.58 -4.280795559e+00 -4.280795559e+00 2.60 -4.263576975e+00 -4.263576975e+00 2.62 -4.241121695e+00 -4.241121695e+00 2.64 -4.213530038e+00 -4.213530038e+00 2.66 -4.180967753e+00 -4.180967753e+00 2.68 -4.143654541e+00 -4.143654541e+00 2.70 -4.101849752e+00 -4.101849752e+00 2.72 -4.055849101e+00 -4.055849101e+00 2.74 -4.005987474e+00 -4.005987474e+00 2.76 -3.952630016e+00 -3.952630016e+00 2.78 -3.896156191e+00 -3.896156191e+00 2.80 -3.836939864e+00 -3.836939864e+00 2.82 -3.775330496e+00 -3.775330496e+00 2.84 -3.711640255e+00 -3.711640255e+00 2.86 -3.646139376e+00 -3.646139376e+00 2.88 -3.579059181e+00 -3.579059181e+00 2.90 -3.510600248e+00 -3.510600248e+00 2.92 -3.440942886e+00 -3.440942886e+00 2.94 -3.370257706e+00 -3.370257706e+00 2.96 -3.298714938e+00 -3.298714938e+00 2.98 -3.226491707e+00 -3.226491707e+00 3.00 -3.153776535e+00 -3.153776535e+00 3.02 -3.080770392e+00 -3.080770392e+00 3.04 -3.007683726e+00 -3.007683726e+00 3.06 -2.934729687e+00 -2.934729687e+00 3.08 -2.862114712e+00 -2.862114712e+00 3.10 -2.790028634e+00 -2.790028634e+00 3.12 -2.718636641e+00 -2.718636641e+00 3.14 -2.648074796e+00 -2.648074796e+00 3.16 -2.578449584e+00 -2.578449584e+00 3.18 -2.509840800e+00 -2.509840800e+00 3.20 -2.442306418e+00 -2.442306418e+00 3.22 -2.375888053e+00 -2.375888053e+00 3.24 -2.310615924e+00 -2.310615924e+00 3.26 -2.246512764e+00 -2.246512764e+00 3.28 -2.183596485e+00 -2.183596485e+00 3.30 -2.121881731e+00 -2.121881731e+00 3.32 -2.061380525e+00 -2.061380525e+00 3.34 -2.002102303e+00 -2.002102303e+00 3.36 -1.944053585e+00 -1.944053585e+00 3.38 -1.887237469e+00 -1.887237469e+00 3.40 -1.831653121e+00 -1.831653121e+00 3.42 -1.777295354e+00 -1.777295354e+00 3.44 -1.724154371e+00 -1.724154371e+00 3.46 -1.672215722e+00 -1.672215722e+00 3.48 -1.621460470e+00 -1.621460470e+00 3.50 -1.571865587e+00 -1.571865587e+00 3.52 -1.523404524e+00 -1.523404524e+00 3.54 -1.476047923e+00 -1.476047923e+00 3.56 -1.429764406e+00 -1.429764406e+00 3.58 -1.384521377e+00 -1.384521377e+00 3.60 -1.340285792e+00 -1.340285792e+00 3.62 -1.297024870e+00 -1.297024870e+00 3.64 -1.254706760e+00 -1.254706760e+00 3.66 -1.213301201e+00 -1.213301201e+00 3.68 -1.172780240e+00 -1.172780240e+00 3.70 -1.133119071e+00 -1.133119071e+00 3.72 -1.094297030e+00 -1.094297030e+00 3.74 -1.056298737e+00 -1.056298737e+00 3.76 -1.019115289e+00 -1.019115289e+00 3.78 -9.827453663e-01 -9.827453663e-01 3.80 -9.471959898e-01 -9.471959898e-01 3.82 -9.124826749e-01 -9.124826749e-01 3.84 -8.786287263e-01 -8.786287263e-01 3.86 -8.456635101e-01 -8.456635101e-01 3.88 -8.136197150e-01 -8.136197150e-01 3.90 -7.825298162e-01 -7.825298162e-01 3.92 -7.524221611e-01 -7.524221611e-01 3.94 -7.233172187e-01 -7.233172187e-01 3.96 -6.952245325e-01 -6.952245325e-01 3.98 -6.681407973e-01 -6.681407973e-01 4.00 -6.420492541e-01 -6.420492541e-01 4.02 -6.169203566e-01 -6.169203566e-01 4.04 -5.927134684e-01 -5.927134684e-01 4.06 -5.693792412e-01 -5.693792412e-01 4.08 -5.468623098e-01 -5.468623098e-01 4.10 -5.251039999e-01 -5.251039999e-01 4.12 -5.040448432e-01 -5.040448432e-01 4.14 -4.836267716e-01 -4.836267716e-01 4.16 -4.637949694e-01 -4.637949694e-01 4.18 -4.444993724e-01 -4.444993724e-01 4.20 -4.256958389e-01 -4.256958389e-01 4.22 -4.073470102e-01 -4.073470102e-01 4.24 -3.894228678e-01 -3.894228678e-01 4.26 -3.719009914e-01 -3.719009914e-01 4.28 -3.547665301e-01 -3.547665301e-01 4.30 -3.380119169e-01 -3.380119169e-01 4.32 -3.216363828e-01 -3.216363828e-01 4.34 -3.056453435e-01 -3.056453435e-01 4.36 -2.900497279e-01 -2.900497279e-01 4.38 -2.748652904e-01 -2.748652904e-01 4.40 -2.601118968e-01 -2.601118968e-01 4.42 -2.458127270e-01 -2.458127270e-01 4.44 -2.319933018e-01 -2.319933018e-01 4.46 -2.186802496e-01 -2.186802496e-01 4.48 -2.058997785e-01 -2.058997785e-01 4.50 -1.936758997e-01 -1.936758997e-01 4.52 -1.820285352e-01 -1.820285352e-01 4.54 -1.709717113e-01 -1.709717113e-01 4.56 -1.605120624e-01 -1.605120624e-01 4.58 -1.506478394e-01 -1.506478394e-01 4.60 -1.413685484e-01 -1.413685484e-01 4.62 -1.326552472e-01 -1.326552472e-01 4.64 -1.244814374e-01 -1.244814374e-01 4.66 -1.168144192e-01 -1.168144192e-01 4.68 -1.096169377e-01 -1.096169377e-01 4.70 -1.028489542e-01 -1.028489542e-01 4.72 -9.646939410e-02 -9.646939410e-02 4.74 -9.043753347e-02 -9.043753347e-02 4.76 -8.471467403e-02 -8.471467403e-02 4.78 -7.926582524e-02 -7.926582524e-02 4.80 -7.405994238e-02 -7.405994238e-02 4.82 -6.907064247e-02 -6.907064247e-02 4.84 -6.427671427e-02 -6.427671427e-02 4.86 -5.966237075e-02 -5.966237075e-02 4.88 -5.521724251e-02 -5.521724251e-02 4.90 -5.093611869e-02 -5.093611869e-02 4.92 -4.681844068e-02 -4.681844068e-02 4.94 -4.286756548e-02 -4.286756548e-02 4.96 -3.908983350e-02 -3.908983350e-02 4.98 -3.549349761e-02 -3.549349761e-02 5.00 -3.208758975e-02 -3.208758975e-02 5.02 -2.888081392e-02 -2.888081392e-02 5.04 -2.588055512e-02 -2.588055512e-02 5.06 -2.309207931e-02 -2.309207931e-02 5.08 -2.051797746e-02 -2.051797746e-02 5.10 -1.815787751e-02 -1.815787751e-02 5.12 -1.600841153e-02 -1.600841153e-02 5.14 -1.406340380e-02 -1.406340380e-02 5.16 -1.231393606e-02 -1.231393606e-02 5.18 -1.074936839e-02 -1.074936839e-02 5.20 -9.357872515e-03 -9.357872515e-03 5.22 -8.126554223e-03 -8.126554223e-03 5.24 -7.041970674e-03 -7.041970674e-03 5.26 -6.090576889e-03 -6.090576889e-03 5.28 -5.259089180e-03 -5.259089180e-03 5.30 -4.534763574e-03 -4.534763574e-03 5.32 -3.905594342e-03 -3.905594342e-03 5.34 -3.360442158e-03 -3.360442158e-03 5.36 -2.889103501e-03 -2.889103501e-03 5.38 -2.482333341e-03 -2.482333341e-03 5.40 -2.131832454e-03 -2.131832454e-03 5.42 -1.830209400e-03 -1.830209400e-03 5.44 -1.570925585e-03 -1.570925585e-03 5.46 -1.348230155e-03 -1.348230155e-03 5.48 -1.157089954e-03 -1.157089954e-03 5.50 -9.931184098e-04 -9.931184098e-04 5.52 -8.525060838e-04 -8.525060838e-04 5.54 -7.319547216e-04 -7.319547216e-04 5.56 -6.286159236e-04 -6.286159236e-04 5.58 -5.400350381e-04 -5.400350381e-04 5.60 -4.641004908e-04 -4.641004908e-04 5.62 -3.989984979e-04 -3.989984979e-04 5.64 -3.431729319e-04 -3.431729319e-04 5.66 -2.952900020e-04 -2.952900020e-04 5.68 -2.542073497e-04 -2.542073497e-04 5.70 -2.189471366e-04 -2.189471366e-04 5.72 -1.886727017e-04 -1.886727017e-04 5.74 -1.626683826e-04 -1.626683826e-04 5.76 -1.403221176e-04 -1.403221176e-04 5.78 -1.211104816e-04 -1.211104816e-04 5.80 -1.045858384e-04 -1.045858384e-04 5.82 -9.036532709e-05 -9.036532709e-05 5.84 -7.812143303e-05 -7.812143303e-05 5.86 -6.757392257e-05 -6.757392257e-05 5.88 -5.848295046e-05 -5.848295046e-05 5.90 -5.064317257e-05 -5.064317257e-05 5.92 -4.387871955e-05 -4.387871955e-05 5.94 -3.803890685e-05 -3.803890685e-05 5.96 -3.299457391e-05 -3.299457391e-05 5.98 -2.863496043e-05 -2.863496043e-05 6.00 -2.486504096e-05 -2.486504096e-05