# 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 = AlPbTi2 # 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 2.705511544e+02 2.705511544e+02 1.30 2.523741433e+02 2.523741433e+02 1.32 2.354798426e+02 2.354798426e+02 1.34 2.197692686e+02 2.197692686e+02 1.36 2.051494294e+02 2.051494294e+02 1.38 1.915339179e+02 1.915339179e+02 1.40 1.788444588e+02 1.788444588e+02 1.42 1.670114069e+02 1.670114069e+02 1.44 1.559725939e+02 1.559725939e+02 1.46 1.456712619e+02 1.456712619e+02 1.48 1.360543806e+02 1.360543806e+02 1.50 1.270722031e+02 1.270722031e+02 1.52 1.186787040e+02 1.186787040e+02 1.54 1.108319130e+02 1.108319130e+02 1.56 1.034936281e+02 1.034936281e+02 1.58 9.662871703e+01 9.662871703e+01 1.60 9.020445105e+01 9.020445105e+01 1.62 8.419019431e+01 8.419019431e+01 1.64 7.855736339e+01 7.855736339e+01 1.66 7.327945006e+01 7.327945006e+01 1.68 6.833200453e+01 6.833200453e+01 1.70 6.369262607e+01 6.369262607e+01 1.72 5.934086867e+01 5.934086867e+01 1.74 5.525793909e+01 5.525793909e+01 1.76 5.142632772e+01 5.142632772e+01 1.78 4.782972023e+01 4.782972023e+01 1.80 4.445278339e+01 4.445278339e+01 1.82 4.128581123e+01 4.128581123e+01 1.84 3.831769674e+01 3.831769674e+01 1.86 3.553577353e+01 3.553577353e+01 1.88 3.292828444e+01 3.292828444e+01 1.90 3.048459981e+01 3.048459981e+01 1.92 2.819504327e+01 2.819504327e+01 1.94 2.605067003e+01 2.605067003e+01 1.96 2.404300424e+01 2.404300424e+01 1.98 2.216381985e+01 2.216381985e+01 2.00 2.040504526e+01 2.040504526e+01 2.02 1.875881743e+01 1.875881743e+01 2.04 1.721761914e+01 1.721761914e+01 2.06 1.577441325e+01 1.577441325e+01 2.08 1.442272357e+01 1.442272357e+01 2.10 1.315665503e+01 1.315665503e+01 2.12 1.197086264e+01 1.197086264e+01 2.14 1.086047981e+01 1.086047981e+01 2.16 9.821030720e+00 9.821030720e+00 2.18 8.848348082e+00 8.848348082e+00 2.20 7.938506508e+00 7.938506508e+00 2.22 7.087779977e+00 7.087779977e+00 2.24 6.292619604e+00 6.292619604e+00 2.26 5.549651779e+00 5.549651779e+00 2.28 4.855688681e+00 4.855688681e+00 2.30 4.207744156e+00 4.207744156e+00 2.32 3.603032291e+00 3.603032291e+00 2.34 3.038959833e+00 3.038959833e+00 2.36 2.513102570e+00 2.513102570e+00 2.38 2.023187210e+00 2.023187210e+00 2.40 1.567078670e+00 1.567078670e+00 2.42 1.142772803e+00 1.142772803e+00 2.44 7.483897290e-01 7.483897290e-01 2.46 3.821656939e-01 3.821656939e-01 2.48 4.244070072e-02 4.244070072e-02 2.50 -2.723573823e-01 -2.723573823e-01 2.52 -5.637303274e-01 -5.637303274e-01 2.54 -8.331255573e-01 -8.331255573e-01 2.56 -1.081947452e+00 -1.081947452e+00 2.58 -1.311561417e+00 -1.311561417e+00 2.60 -1.523289220e+00 -1.523289220e+00 2.62 -1.718395366e+00 -1.718395366e+00 2.64 -1.898070260e+00 -1.898070260e+00 2.66 -2.063414888e+00 -2.063414888e+00 2.68 -2.215512608e+00 -2.215512608e+00 2.70 -2.355187113e+00 -2.355187113e+00 2.72 -2.483129017e+00 -2.483129017e+00 2.74 -2.599968476e+00 -2.599968476e+00 2.76 -2.706287237e+00 -2.706287237e+00 2.78 -2.802629878e+00 -2.802629878e+00 2.80 -2.889513107e+00 -2.889513107e+00 2.82 -2.967431454e+00 -2.967431454e+00 2.84 -3.036851623e+00 -3.036851623e+00 2.86 -3.098113955e+00 -3.098113955e+00 2.88 -3.151501596e+00 -3.151501596e+00 2.90 -3.197548786e+00 -3.197548786e+00 2.92 -3.237108850e+00 -3.237108850e+00 2.94 -3.270307373e+00 -3.270307373e+00 2.96 -3.297272353e+00 -3.297272353e+00 2.98 -3.318177014e+00 -3.318177014e+00 3.00 -3.333237955e+00 -3.333237955e+00 3.02 -3.342714698e+00 -3.342714698e+00 3.04 -3.346907452e+00 -3.346907452e+00 3.06 -3.346154876e+00 -3.346154876e+00 3.08 -3.340832452e+00 -3.340832452e+00 3.10 -3.331330525e+00 -3.331330525e+00 3.12 -3.318029280e+00 -3.318029280e+00 3.14 -3.301289118e+00 -3.301289118e+00 3.16 -3.281438824e+00 -3.281438824e+00 3.18 -3.258775198e+00 -3.258775198e+00 3.20 -3.233562574e+00 -3.233562574e+00 3.22 -3.206035126e+00 -3.206035126e+00 3.24 -3.176399913e+00 -3.176399913e+00 3.26 -3.144839967e+00 -3.144839967e+00 3.28 -3.111517213e+00 -3.111517213e+00 3.30 -3.076575292e+00 -3.076575292e+00 3.32 -3.040142403e+00 -3.040142403e+00 3.34 -3.002334213e+00 -3.002334213e+00 3.36 -2.963256823e+00 -2.963256823e+00 3.38 -2.923009737e+00 -2.923009737e+00 3.40 -2.881688652e+00 -2.881688652e+00 3.42 -2.839409314e+00 -2.839409314e+00 3.44 -2.796272592e+00 -2.796272592e+00 3.46 -2.752356692e+00 -2.752356692e+00 3.48 -2.707751299e+00 -2.707751299e+00 3.50 -2.662558174e+00 -2.662558174e+00 3.52 -2.616890517e+00 -2.616890517e+00 3.54 -2.570870720e+00 -2.570870720e+00 3.56 -2.524626375e+00 -2.524626375e+00 3.58 -2.478284869e+00 -2.478284869e+00 3.60 -2.431966988e+00 -2.431966988e+00 3.62 -2.385777185e+00 -2.385777185e+00 3.64 -2.339800697e+00 -2.339800697e+00 3.66 -2.294106392e+00 -2.294106392e+00 3.68 -2.248746962e+00 -2.248746962e+00 3.70 -2.203760803e+00 -2.203760803e+00 3.72 -2.159174894e+00 -2.159174894e+00 3.74 -2.115007903e+00 -2.115007903e+00 3.76 -2.071272928e+00 -2.071272928e+00 3.78 -2.027979589e+00 -2.027979589e+00 3.80 -1.985135403e+00 -1.985135403e+00 3.82 -1.942746567e+00 -1.942746567e+00 3.84 -1.900818324e+00 -1.900818324e+00 3.86 -1.859355110e+00 -1.859355110e+00 3.88 -1.818360598e+00 -1.818360598e+00 3.90 -1.777837741e+00 -1.777837741e+00 3.92 -1.737788443e+00 -1.737788443e+00 3.94 -1.698215184e+00 -1.698215184e+00 3.96 -1.659118578e+00 -1.659118578e+00 3.98 -1.620499127e+00 -1.620499127e+00 4.00 -1.582356724e+00 -1.582356724e+00 4.02 -1.544690605e+00 -1.544690605e+00 4.04 -1.507499295e+00 -1.507499295e+00 4.06 -1.470780607e+00 -1.470780607e+00 4.08 -1.434531710e+00 -1.434531710e+00 4.10 -1.398748109e+00 -1.398748109e+00 4.12 -1.363429102e+00 -1.363429102e+00 4.14 -1.328570269e+00 -1.328570269e+00 4.16 -1.294169795e+00 -1.294169795e+00 4.18 -1.260227773e+00 -1.260227773e+00 4.20 -1.226747072e+00 -1.226747072e+00 4.22 -1.193734147e+00 -1.193734147e+00 4.24 -1.161199691e+00 -1.161199691e+00 4.26 -1.129158988e+00 -1.129158988e+00 4.28 -1.097631851e+00 -1.097631851e+00 4.30 -1.066642077e+00 -1.066642077e+00 4.32 -1.036216382e+00 -1.036216382e+00 4.34 -1.006382911e+00 -1.006382911e+00 4.36 -9.771694287e-01 -9.771694287e-01 4.38 -9.486014116e-01 -9.486014116e-01 4.40 -9.207002454e-01 -9.207002454e-01 4.42 -8.934817336e-01 -8.934817336e-01 4.44 -8.669550574e-01 -8.669550574e-01 4.46 -8.411222565e-01 -8.411222565e-01 4.48 -8.159782185e-01 -8.159782185e-01 4.50 -7.915111014e-01 -7.915111014e-01 4.52 -7.677030741e-01 -7.677030741e-01 4.54 -7.445312474e-01 -7.445312474e-01 4.56 -7.219686805e-01 -7.219686805e-01 4.58 -6.999853702e-01 -6.999853702e-01 4.60 -6.785491670e-01 -6.785491670e-01 4.62 -6.576265865e-01 -6.576265865e-01 4.64 -6.371835173e-01 -6.371835173e-01 4.66 -6.171858384e-01 -6.171858384e-01 4.68 -5.975999760e-01 -5.975999760e-01 4.70 -5.783934302e-01 -5.783934302e-01 4.72 -5.595353034e-01 -5.595353034e-01 4.74 -5.409968575e-01 -5.409968575e-01 4.76 -5.227521172e-01 -5.227521172e-01 4.78 -5.047785265e-01 -5.047785265e-01 4.80 -4.870568511e-01 -4.870568511e-01 4.82 -4.695752260e-01 -4.695752260e-01 4.84 -4.523246627e-01 -4.523246627e-01 4.86 -4.353032966e-01 -4.353032966e-01 4.88 -4.185159123e-01 -4.185159123e-01 4.90 -4.019741896e-01 -4.019741896e-01 4.92 -3.856966408e-01 -3.856966408e-01 4.94 -3.697081711e-01 -3.697081711e-01 4.96 -3.540392247e-01 -3.540392247e-01 4.98 -3.387245150e-01 -3.387245150e-01 5.00 -3.238013863e-01 -3.238013863e-01 5.02 -3.093079055e-01 -3.093079055e-01 5.04 -2.952808245e-01 -2.952808245e-01 5.06 -2.817535828e-01 -2.817535828e-01 5.08 -2.687545243e-01 -2.687545243e-01 5.10 -2.563054804e-01 -2.563054804e-01 5.12 -2.444208282e-01 -2.444208282e-01 5.14 -2.331070739e-01 -2.331070739e-01 5.16 -2.223629496e-01 -2.223629496e-01 5.18 -2.121799540e-01 -2.121799540e-01 5.20 -2.025432319e-01 -2.025432319e-01 5.22 -1.934326675e-01 -1.934326675e-01 5.24 -1.848240660e-01 -1.848240660e-01 5.26 -1.766903186e-01 -1.766903186e-01 5.28 -1.690024682e-01 -1.690024682e-01 5.30 -1.617306260e-01 -1.617306260e-01 5.32 -1.548447152e-01 -1.548447152e-01 5.34 -1.483150418e-01 -1.483150418e-01 5.36 -1.421127073e-01 -1.421127073e-01 5.38 -1.362098906e-01 -1.362098906e-01 5.40 -1.305800275e-01 -1.305800275e-01 5.42 -1.251979169e-01 -1.251979169e-01 5.44 -1.200397812e-01 -1.200397812e-01 5.46 -1.150833008e-01 -1.150833008e-01 5.48 -1.103076404e-01 -1.103076404e-01 5.50 -1.056934803e-01 -1.056934803e-01 5.52 -1.012230574e-01 -1.012230574e-01 5.54 -9.688022469e-02 -9.688022469e-02 5.56 -9.265052616e-02 -9.265052616e-02 5.58 -8.852128913e-02 -8.852128913e-02 5.60 -8.448172693e-02 -8.448172693e-02 5.62 -8.052304545e-02 -8.052304545e-02 5.64 -7.663854248e-02 -7.663854248e-02 5.66 -7.282368584e-02 -7.282368584e-02 5.68 -6.907615317e-02 -6.907615317e-02 5.70 -6.539582117e-02 -6.539582117e-02 5.72 -6.178468199e-02 -6.178468199e-02 5.74 -5.824667804e-02 -5.824667804e-02 5.76 -5.478744789e-02 -5.478744789e-02 5.78 -5.141398677e-02 -5.141398677e-02 5.80 -4.813422813e-02 -4.813422813e-02 5.82 -4.495657325e-02 -4.495657325e-02 5.84 -4.188940273e-02 -4.188940273e-02 5.86 -3.894059850e-02 -3.894059850e-02 5.88 -3.611711511e-02 -3.611711511e-02 5.90 -3.342463201e-02 -3.342463201e-02 5.92 -3.086712292e-02 -3.086712292e-02 5.94 -2.844658180e-02 -2.844658180e-02 5.96 -2.616410397e-02 -2.616410397e-02 5.98 -2.401925253e-02 -2.401925253e-02 6.00 -2.201010705e-02 -2.201010705e-02