# 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 = AgCu2Pb # 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 2.026910944e+02 2.026910944e+02 1.30 1.879535733e+02 1.879535733e+02 1.32 1.743025278e+02 1.743025278e+02 1.34 1.616535949e+02 1.616535949e+02 1.36 1.499279750e+02 1.499279750e+02 1.38 1.390518357e+02 1.390518357e+02 1.40 1.289570073e+02 1.289570073e+02 1.42 1.195818751e+02 1.195818751e+02 1.44 1.108713441e+02 1.108713441e+02 1.46 1.027758317e+02 1.027758317e+02 1.48 9.525003758e+01 9.525003758e+01 1.50 8.825208595e+01 8.825208595e+01 1.52 8.174307393e+01 8.174307393e+01 1.54 7.568674176e+01 7.568674176e+01 1.56 7.004916148e+01 7.004916148e+01 1.58 6.479864232e+01 6.479864232e+01 1.60 5.990693337e+01 5.990693337e+01 1.62 5.535507292e+01 5.535507292e+01 1.64 5.112023602e+01 5.112023602e+01 1.66 4.718047183e+01 4.718047183e+01 1.68 4.351591436e+01 4.351591436e+01 1.70 4.010818029e+01 4.010818029e+01 1.72 3.693995346e+01 3.693995346e+01 1.74 3.399479137e+01 3.399479137e+01 1.76 3.125710014e+01 3.125710014e+01 1.78 2.871217721e+01 2.871217721e+01 1.80 2.634624321e+01 2.634624321e+01 1.82 2.414647216e+01 2.414647216e+01 1.84 2.210100796e+01 2.210100796e+01 1.86 2.019895510e+01 2.019895510e+01 1.88 1.843032642e+01 1.843032642e+01 1.90 1.678594570e+01 1.678594570e+01 1.92 1.525734065e+01 1.525734065e+01 1.94 1.383665942e+01 1.383665942e+01 1.96 1.251660063e+01 1.251660063e+01 1.98 1.129036592e+01 1.129036592e+01 2.00 1.015161978e+01 1.015161978e+01 2.02 9.094459076e+00 9.094459076e+00 2.04 8.113389702e+00 8.113389702e+00 2.06 7.203306259e+00 7.203306259e+00 2.08 6.359467911e+00 6.359467911e+00 2.10 5.577469362e+00 5.577469362e+00 2.12 4.853209114e+00 4.853209114e+00 2.14 4.182853586e+00 4.182853586e+00 2.16 3.562805516e+00 3.562805516e+00 2.18 2.989678141e+00 2.989678141e+00 2.20 2.460277307e+00 2.460277307e+00 2.22 1.971595403e+00 1.971595403e+00 2.24 1.520812238e+00 1.520812238e+00 2.26 1.105296177e+00 1.105296177e+00 2.28 7.225935944e-01 7.225935944e-01 2.30 3.704114483e-01 3.704114483e-01 2.32 4.658464599e-02 4.658464599e-02 2.34 -2.509375771e-01 -2.509375771e-01 2.36 -5.240991787e-01 -5.240991787e-01 2.38 -7.747240767e-01 -7.747240767e-01 2.40 -1.004498415e+00 -1.004498415e+00 2.42 -1.214958386e+00 -1.214958386e+00 2.44 -1.407489278e+00 -1.407489278e+00 2.46 -1.583335621e+00 -1.583335621e+00 2.48 -1.743618422e+00 -1.743618422e+00 2.50 -1.889355579e+00 -1.889355579e+00 2.52 -2.021482571e+00 -2.021482571e+00 2.54 -2.140871573e+00 -2.140871573e+00 2.56 -2.248347767e+00 -2.248347767e+00 2.58 -2.344702033e+00 -2.344702033e+00 2.60 -2.430961366e+00 -2.430961366e+00 2.62 -2.507996729e+00 -2.507996729e+00 2.64 -2.576095903e+00 -2.576095903e+00 2.66 -2.635601937e+00 -2.635601937e+00 2.68 -2.686912498e+00 -2.686912498e+00 2.70 -2.730467968e+00 -2.730467968e+00 2.72 -2.766738484e+00 -2.766738484e+00 2.74 -2.796210349e+00 -2.796210349e+00 2.76 -2.819456177e+00 -2.819456177e+00 2.78 -2.836952980e+00 -2.836952980e+00 2.80 -2.849087971e+00 -2.849087971e+00 2.82 -2.856207769e+00 -2.856207769e+00 2.84 -2.858619663e+00 -2.858619663e+00 2.86 -2.856597768e+00 -2.856597768e+00 2.88 -2.850392744e+00 -2.850392744e+00 2.90 -2.840241955e+00 -2.840241955e+00 2.92 -2.826378976e+00 -2.826378976e+00 2.94 -2.809044956e+00 -2.809044956e+00 2.96 -2.788487964e+00 -2.788487964e+00 2.98 -2.764961668e+00 -2.764961668e+00 3.00 -2.738753630e+00 -2.738753630e+00 3.02 -2.710125528e+00 -2.710125528e+00 3.04 -2.679308988e+00 -2.679308988e+00 3.06 -2.646543945e+00 -2.646543945e+00 3.08 -2.612068337e+00 -2.612068337e+00 3.10 -2.576114366e+00 -2.576114366e+00 3.12 -2.538900726e+00 -2.538900726e+00 3.14 -2.500630126e+00 -2.500630126e+00 3.16 -2.461479661e+00 -2.461479661e+00 3.18 -2.421595330e+00 -2.421595330e+00 3.20 -2.381096455e+00 -2.381096455e+00 3.22 -2.340080675e+00 -2.340080675e+00 3.24 -2.298625197e+00 -2.298625197e+00 3.26 -2.256789181e+00 -2.256789181e+00 3.28 -2.214617134e+00 -2.214617134e+00 3.30 -2.172143098e+00 -2.172143098e+00 3.32 -2.129395261e+00 -2.129395261e+00 3.34 -2.086400441e+00 -2.086400441e+00 3.36 -2.043187896e+00 -2.043187896e+00 3.38 -1.999792051e+00 -1.999792051e+00 3.40 -1.956253711e+00 -1.956253711e+00 3.42 -1.912620962e+00 -1.912620962e+00 3.44 -1.868946946e+00 -1.868946946e+00 3.46 -1.825288991e+00 -1.825288991e+00 3.48 -1.781706222e+00 -1.781706222e+00 3.50 -1.738257352e+00 -1.738257352e+00 3.52 -1.694998694e+00 -1.694998694e+00 3.54 -1.651982596e+00 -1.651982596e+00 3.56 -1.609256427e+00 -1.609256427e+00 3.58 -1.566862158e+00 -1.566862158e+00 3.60 -1.524836538e+00 -1.524836538e+00 3.62 -1.483211807e+00 -1.483211807e+00 3.64 -1.442016866e+00 -1.442016866e+00 3.66 -1.401278774e+00 -1.401278774e+00 3.68 -1.361024429e+00 -1.361024429e+00 3.70 -1.321282255e+00 -1.321282255e+00 3.72 -1.282083713e+00 -1.282083713e+00 3.74 -1.243464438e+00 -1.243464438e+00 3.76 -1.205464823e+00 -1.205464823e+00 3.78 -1.168129917e+00 -1.168129917e+00 3.80 -1.131508520e+00 -1.131508520e+00 3.82 -1.095651487e+00 -1.095651487e+00 3.84 -1.060609304e+00 -1.060609304e+00 3.86 -1.026429155e+00 -1.026429155e+00 3.88 -9.931517895e-01 -9.931517895e-01 3.90 -9.608085835e-01 -9.608085835e-01 3.92 -9.294188120e-01 -9.294188120e-01 3.94 -8.989896863e-01 -8.989896863e-01 3.96 -8.695135223e-01 -8.695135223e-01 3.98 -8.409699982e-01 -8.409699982e-01 4.00 -8.133271285e-01 -8.133271285e-01 4.02 -7.865432600e-01 -7.865432600e-01 4.04 -7.605693499e-01 -7.605693499e-01 4.06 -7.353512705e-01 -7.353512705e-01 4.08 -7.108319587e-01 -7.108319587e-01 4.10 -6.869523248e-01 -6.869523248e-01 4.12 -6.636570201e-01 -6.636570201e-01 4.14 -6.408893061e-01 -6.408893061e-01 4.16 -6.185968435e-01 -6.185968435e-01 4.18 -5.967315852e-01 -5.967315852e-01 4.20 -5.752508390e-01 -5.752508390e-01 4.22 -5.541183224e-01 -5.541183224e-01 4.24 -5.333052188e-01 -5.333052188e-01 4.26 -5.127912065e-01 -5.127912065e-01 4.28 -4.925653986e-01 -4.925653986e-01 4.30 -4.726271013e-01 -4.726271013e-01 4.32 -4.529862771e-01 -4.529862771e-01 4.34 -4.336635878e-01 -4.336635878e-01 4.36 -4.146899028e-01 -4.146899028e-01 4.38 -3.961051848e-01 -3.961051848e-01 4.40 -3.779567150e-01 -3.779567150e-01 4.42 -3.602966938e-01 -3.602966938e-01 4.44 -3.431793320e-01 -3.431793320e-01 4.46 -3.266576362e-01 -3.266576362e-01 4.48 -3.107801550e-01 -3.107801550e-01 4.50 -2.955879868e-01 -2.955879868e-01 4.52 -2.811123330e-01 -2.811123330e-01 4.54 -2.673728193e-01 -2.673728193e-01 4.56 -2.543767061e-01 -2.543767061e-01 4.58 -2.421189978e-01 -2.421189978e-01 4.60 -2.305833440e-01 -2.305833440e-01 4.62 -2.197435557e-01 -2.197435557e-01 4.64 -2.095655301e-01 -2.095655301e-01 4.66 -2.000093429e-01 -2.000093429e-01 4.68 -1.910313101e-01 -1.910313101e-01 4.70 -1.825858954e-01 -1.825858954e-01 4.72 -1.746273319e-01 -1.746273319e-01 4.74 -1.671102764e-01 -1.671102764e-01 4.76 -1.599926703e-01 -1.599926703e-01 4.78 -1.532355968e-01 -1.532355968e-01 4.80 -1.468025127e-01 -1.468025127e-01 4.82 -1.406630168e-01 -1.406630168e-01 4.84 -1.347878961e-01 -1.347878961e-01 4.86 -1.291528020e-01 -1.291528020e-01 4.88 -1.237372336e-01 -1.237372336e-01 4.90 -1.185243673e-01 -1.185243673e-01 4.92 -1.135008019e-01 -1.135008019e-01 4.94 -1.086562312e-01 -1.086562312e-01 4.96 -1.039830554e-01 -1.039830554e-01 4.98 -9.947594219e-02 -9.947594219e-02 5.00 -9.513135492e-02 -9.513135492e-02 5.02 -9.094706726e-02 -9.094706726e-02 5.04 -8.692168875e-02 -8.692168875e-02 5.06 -8.305422680e-02 -8.305422680e-02 5.08 -7.934370881e-02 -7.934370881e-02 5.10 -7.578888304e-02 -7.578888304e-02 5.12 -7.238801008e-02 -7.238801008e-02 5.14 -6.913874578e-02 -6.913874578e-02 5.16 -6.603810856e-02 -6.603810856e-02 5.18 -6.308251578e-02 -6.308251578e-02 5.20 -6.026786929e-02 -6.026786929e-02 5.22 -5.758966820e-02 -5.758966820e-02 5.24 -5.504312852e-02 -5.504312852e-02 5.26 -5.262328436e-02 -5.262328436e-02 5.28 -5.032498720e-02 -5.032498720e-02 5.30 -4.814318440e-02 -4.814318440e-02 5.32 -4.607287328e-02 -4.607287328e-02 5.34 -4.410906804e-02 -4.410906804e-02 5.36 -4.224679703e-02 -4.224679703e-02 5.38 -4.048109247e-02 -4.048109247e-02 5.40 -3.880697974e-02 -3.880697974e-02 5.42 -3.721947179e-02 -3.721947179e-02 5.44 -3.571357215e-02 -3.571357215e-02 5.46 -3.428428752e-02 -3.428428752e-02 5.48 -3.292664936e-02 -3.292664936e-02 5.50 -3.163574224e-02 -3.163574224e-02 5.52 -3.040673600e-02 -3.040673600e-02 5.54 -2.923491911e-02 -2.923491911e-02 5.56 -2.811573018e-02 -2.811573018e-02 5.58 -2.704478611e-02 -2.704478611e-02 5.60 -2.601790521e-02 -2.601790521e-02 5.62 -2.503112523e-02 -2.503112523e-02 5.64 -2.408071590e-02 -2.408071590e-02 5.66 -2.316318707e-02 -2.316318707e-02 5.68 -2.227529310e-02 -2.227529310e-02 5.70 -2.141403466e-02 -2.141403466e-02 5.72 -2.057665884e-02 -2.057665884e-02 5.74 -1.976065880e-02 -1.976065880e-02 5.76 -1.896377358e-02 -1.896377358e-02 5.78 -1.818398895e-02 -1.818398895e-02 5.80 -1.741953954e-02 -1.741953954e-02 5.82 -1.666891238e-02 -1.666891238e-02 5.84 -1.593085187e-02 -1.593085187e-02 5.86 -1.520436551e-02 -1.520436551e-02 5.88 -1.448872993e-02 -1.448872993e-02 5.90 -1.378349596e-02 -1.378349596e-02 5.92 -1.308849181e-02 -1.308849181e-02 5.94 -1.240381333e-02 -1.240381333e-02 5.96 -1.172977351e-02 -1.172977351e-02 5.98 -1.106701380e-02 -1.106701380e-02 6.00 -1.041643290e-02 -1.041643290e-02