# 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 = Au2CuPt # 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 3.061640245e+02 3.061640245e+02 1.30 2.844516212e+02 2.844516212e+02 1.32 2.642684817e+02 2.642684817e+02 1.34 2.455057794e+02 2.455057794e+02 1.36 2.280595135e+02 2.280595135e+02 1.38 2.118267676e+02 2.118267676e+02 1.40 1.967074230e+02 1.967074230e+02 1.42 1.826090293e+02 1.826090293e+02 1.44 1.694508169e+02 1.694508169e+02 1.46 1.571640921e+02 1.571640921e+02 1.48 1.456893186e+02 1.456893186e+02 1.50 1.349721732e+02 1.349721732e+02 1.52 1.249604554e+02 1.249604554e+02 1.54 1.156026382e+02 1.156026382e+02 1.56 1.068481459e+02 1.068481459e+02 1.58 9.864878687e+01 9.864878687e+01 1.60 9.096041102e+01 9.096041102e+01 1.62 8.374398712e+01 8.374398712e+01 1.64 7.696571958e+01 7.696571958e+01 1.66 7.059642087e+01 7.059642087e+01 1.68 6.461078085e+01 6.461078085e+01 1.70 5.898693282e+01 5.898693282e+01 1.72 5.371459388e+01 5.371459388e+01 1.74 4.879571796e+01 4.879571796e+01 1.76 4.425822523e+01 4.425822523e+01 1.78 4.009726105e+01 4.009726105e+01 1.80 3.628145026e+01 3.628145026e+01 1.82 3.278033332e+01 3.278033332e+01 1.84 2.956529672e+01 2.956529672e+01 1.86 2.661023794e+01 2.661023794e+01 1.88 2.389187232e+01 2.389187232e+01 1.90 2.138978005e+01 2.138978005e+01 1.92 1.908626327e+01 1.908626327e+01 1.94 1.696600717e+01 1.696600717e+01 1.96 1.501555907e+01 1.501555907e+01 1.98 1.322274848e+01 1.322274848e+01 2.00 1.157622697e+01 1.157622697e+01 2.02 1.006523112e+01 1.006523112e+01 2.04 8.679541846e+00 8.679541846e+00 2.06 7.409539130e+00 7.409539130e+00 2.08 6.246258894e+00 6.246258894e+00 2.10 5.181406580e+00 5.181406580e+00 2.12 4.207327367e+00 4.207327367e+00 2.14 3.316956052e+00 3.316956052e+00 2.16 2.503769860e+00 2.503769860e+00 2.18 1.761754298e+00 1.761754298e+00 2.20 1.085378837e+00 1.085378837e+00 2.22 4.695746827e-01 4.695746827e-01 2.24 -9.029009756e-02 -9.029009756e-02 2.26 -5.984390867e-01 -5.984390867e-01 2.28 -1.058720090e+00 -1.058720090e+00 2.30 -1.474643314e+00 -1.474643314e+00 2.32 -1.849425988e+00 -1.849425988e+00 2.34 -2.186040596e+00 -2.186040596e+00 2.36 -2.487260230e+00 -2.487260230e+00 2.38 -2.755693890e+00 -2.755693890e+00 2.40 -2.993807530e+00 -2.993807530e+00 2.42 -3.203931264e+00 -3.203931264e+00 2.44 -3.388257370e+00 -3.388257370e+00 2.46 -3.548874885e+00 -3.548874885e+00 2.48 -3.688858622e+00 -3.688858622e+00 2.50 -3.810207780e+00 -3.810207780e+00 2.52 -3.914213317e+00 -3.914213317e+00 2.54 -4.002159008e+00 -4.002159008e+00 2.56 -4.075331833e+00 -4.075331833e+00 2.58 -4.135018016e+00 -4.135018016e+00 2.60 -4.182482716e+00 -4.182482716e+00 2.62 -4.218938460e+00 -4.218938460e+00 2.64 -4.245511402e+00 -4.245511402e+00 2.66 -4.263214332e+00 -4.263214332e+00 2.68 -4.272932079e+00 -4.272932079e+00 2.70 -4.275437257e+00 -4.275437257e+00 2.72 -4.271495974e+00 -4.271495974e+00 2.74 -4.261543641e+00 -4.261543641e+00 2.76 -4.246021112e+00 -4.246021112e+00 2.78 -4.225279246e+00 -4.225279246e+00 2.80 -4.199347564e+00 -4.199347564e+00 2.82 -4.168275518e+00 -4.168275518e+00 2.84 -4.132142043e+00 -4.132142043e+00 2.86 -4.091063061e+00 -4.091063061e+00 2.88 -4.045201127e+00 -4.045201127e+00 2.90 -3.994769002e+00 -3.994769002e+00 2.92 -3.940046279e+00 -3.940046279e+00 2.94 -3.881402089e+00 -3.881402089e+00 2.96 -3.819291010e+00 -3.819291010e+00 2.98 -3.754225344e+00 -3.754225344e+00 3.00 -3.686752579e+00 -3.686752579e+00 3.02 -3.617427077e+00 -3.617427077e+00 3.04 -3.546780001e+00 -3.546780001e+00 3.06 -3.475292923e+00 -3.475292923e+00 3.08 -3.403379083e+00 -3.403379083e+00 3.10 -3.331373982e+00 -3.331373982e+00 3.12 -3.259534694e+00 -3.259534694e+00 3.14 -3.188045964e+00 -3.188045964e+00 3.16 -3.117030619e+00 -3.117030619e+00 3.18 -3.046562070e+00 -3.046562070e+00 3.20 -2.976677045e+00 -2.976677045e+00 3.22 -2.907390361e+00 -2.907390361e+00 3.24 -2.838749364e+00 -2.838749364e+00 3.26 -2.770818938e+00 -2.770818938e+00 3.28 -2.703644253e+00 -2.703644253e+00 3.30 -2.637258273e+00 -2.637258273e+00 3.32 -2.571688072e+00 -2.571688072e+00 3.34 -2.506959094e+00 -2.506959094e+00 3.36 -2.443097794e+00 -2.443097794e+00 3.38 -2.380132984e+00 -2.380132984e+00 3.40 -2.318096154e+00 -2.318096154e+00 3.42 -2.257021033e+00 -2.257021033e+00 3.44 -2.196942589e+00 -2.196942589e+00 3.46 -2.137895719e+00 -2.137895719e+00 3.48 -2.079913817e+00 -2.079913817e+00 3.50 -2.023027386e+00 -2.023027386e+00 3.52 -1.967262827e+00 -1.967262827e+00 3.54 -1.912641487e+00 -1.912641487e+00 3.56 -1.859178997e+00 -1.859178997e+00 3.58 -1.806884929e+00 -1.806884929e+00 3.60 -1.755762727e+00 -1.755762727e+00 3.62 -1.705809920e+00 -1.705809920e+00 3.64 -1.657018549e+00 -1.657018549e+00 3.66 -1.609375791e+00 -1.609375791e+00 3.68 -1.562864715e+00 -1.562864715e+00 3.70 -1.517465135e+00 -1.517465135e+00 3.72 -1.473154478e+00 -1.473154478e+00 3.74 -1.429908592e+00 -1.429908592e+00 3.76 -1.387702417e+00 -1.387702417e+00 3.78 -1.346510424e+00 -1.346510424e+00 3.80 -1.306306772e+00 -1.306306772e+00 3.82 -1.267065157e+00 -1.267065157e+00 3.84 -1.228758382e+00 -1.228758382e+00 3.86 -1.191357763e+00 -1.191357763e+00 3.88 -1.154832484e+00 -1.154832484e+00 3.90 -1.119149092e+00 -1.119149092e+00 3.92 -1.084271254e+00 -1.084271254e+00 3.94 -1.050159891e+00 -1.050159891e+00 3.96 -1.016773717e+00 -1.016773717e+00 3.98 -9.840701699e-01 -9.840701699e-01 4.00 -9.520066744e-01 -9.520066744e-01 4.02 -9.205421340e-01 -9.205421340e-01 4.04 -8.896385731e-01 -8.896385731e-01 4.06 -8.592628211e-01 -8.592628211e-01 4.08 -8.293881357e-01 -8.293881357e-01 4.10 -7.999956467e-01 -7.999956467e-01 4.12 -7.710755114e-01 -7.710755114e-01 4.14 -7.426275820e-01 -7.426275820e-01 4.16 -7.146615475e-01 -7.146615475e-01 4.18 -6.871963933e-01 -6.871963933e-01 4.20 -6.602591905e-01 -6.602591905e-01 4.22 -6.338832772e-01 -6.338832772e-01 4.24 -6.081059914e-01 -6.081059914e-01 4.26 -5.829661789e-01 -5.829661789e-01 4.28 -5.585017275e-01 -5.585017275e-01 4.30 -5.347473539e-01 -5.347473539e-01 4.32 -5.117328080e-01 -5.117328080e-01 4.34 -4.894815729e-01 -4.894815729e-01 4.36 -4.680100530e-01 -4.680100530e-01 4.38 -4.473271785e-01 -4.473271785e-01 4.40 -4.274343200e-01 -4.274343200e-01 4.42 -4.083254043e-01 -4.083254043e-01 4.44 -3.899871434e-01 -3.899871434e-01 4.46 -3.723993298e-01 -3.723993298e-01 4.48 -3.555351898e-01 -3.555351898e-01 4.50 -3.393618226e-01 -3.393618226e-01 4.52 -3.238407726e-01 -3.238407726e-01 4.54 -3.089287837e-01 -3.089287837e-01 4.56 -2.945787693e-01 -2.945787693e-01 4.58 -2.807410067e-01 -2.807410067e-01 4.60 -2.673645345e-01 -2.673645345e-01 4.62 -2.543987076e-01 -2.543987076e-01 4.64 -2.417948459e-01 -2.417948459e-01 4.66 -2.295079018e-01 -2.295079018e-01 4.68 -2.174980695e-01 -2.174980695e-01 4.70 -2.057322557e-01 -2.057322557e-01 4.72 -1.941853339e-01 -1.941853339e-01 4.74 -1.828411022e-01 -1.828411022e-01 4.76 -1.716928691e-01 -1.716928691e-01 4.78 -1.607436011e-01 -1.607436011e-01 4.80 -1.500055800e-01 -1.500055800e-01 4.82 -1.394995594e-01 -1.394995594e-01 4.84 -1.292534165e-01 -1.292534165e-01 4.86 -1.193003964e-01 -1.193003964e-01 4.88 -1.096770369e-01 -1.096770369e-01 4.90 -1.004209317e-01 -1.004209317e-01 4.92 -9.156849981e-02 -9.156849981e-02 4.94 -8.315292716e-02 -8.315292716e-02 4.96 -7.520242516e-02 -7.520242516e-02 4.98 -6.773890841e-02 -6.773890841e-02 5.00 -6.077714591e-02 -6.077714591e-02 5.02 -5.432438968e-02 -5.432438968e-02 5.04 -4.838044297e-02 -4.838044297e-02 5.06 -4.293809991e-02 -4.293809991e-02 5.08 -3.798387143e-02 -3.798387143e-02 5.10 -3.349890139e-02 -3.349890139e-02 5.12 -2.946000528e-02 -2.946000528e-02 5.14 -2.584073547e-02 -2.584073547e-02 5.16 -2.261237468e-02 -2.261237468e-02 5.18 -1.974455107e-02 -1.974455107e-02 5.20 -1.720712546e-02 -1.720712546e-02 5.22 -1.497071268e-02 -1.497071268e-02 5.24 -1.300601480e-02 -1.300601480e-02 5.26 -1.128490868e-02 -1.128490868e-02 5.28 -9.781009658e-03 -9.781009658e-03 5.30 -8.469855177e-03 -8.469855177e-03 5.32 -7.328997190e-03 -7.328997190e-03 5.34 -6.338021190e-03 -6.338021190e-03 5.36 -5.478508357e-03 -5.478508357e-03 5.38 -4.733955560e-03 -4.733955560e-03 5.40 -4.089666018e-03 -4.089666018e-03 5.42 -3.532621295e-03 -3.532621295e-03 5.44 -3.051343293e-03 -3.051343293e-03 5.46 -2.635752987e-03 -2.635752987e-03 5.48 -2.277030970e-03 -2.277030970e-03 5.50 -1.967483411e-03 -1.967483411e-03 5.52 -1.700415851e-03 -1.700415851e-03 5.54 -1.470016309e-03 -1.470016309e-03 5.56 -1.271248418e-03 -1.271248418e-03 5.58 -1.099754798e-03 -1.099754798e-03 5.60 -9.517704432e-04 -9.517704432e-04 5.62 -8.240456825e-04 -8.240456825e-04 5.64 -7.137780653e-04 -7.137780653e-04 5.66 -6.185524609e-04 -6.185524609e-04 5.68 -5.362886097e-04 -5.362886097e-04 5.70 -4.651953689e-04 -4.651953689e-04 5.72 -4.037309228e-04 -4.037309228e-04 5.74 -3.505682695e-04 -3.505682695e-04 5.76 -3.045653489e-04 -3.045653489e-04 5.78 -2.647392360e-04 -2.647392360e-04 5.80 -2.302438775e-04 -2.302438775e-04 5.82 -2.003509101e-04 -2.003509101e-04 5.84 -1.744331495e-04 -1.744331495e-04 5.86 -1.519503889e-04 -1.519503889e-04 5.88 -1.324371919e-04 -1.324371919e-04 5.90 -1.154924041e-04 -1.154924041e-04 5.92 -1.007701439e-04 -1.007701439e-04 5.94 -8.797206656e-05 -8.797206656e-05 5.96 -7.684072017e-05 -7.684072017e-05 5.98 -6.715384180e-05 -6.715384180e-05 6.00 -5.871945873e-05 -5.871945873e-05