# 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 = AgPt2Ti # 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 3.596355172e+02 3.596355172e+02 1.30 3.353173228e+02 3.353173228e+02 1.32 3.126351292e+02 3.126351292e+02 1.34 2.914717222e+02 2.914717222e+02 1.36 2.717187487e+02 2.717187487e+02 1.38 2.532737739e+02 2.532737739e+02 1.40 2.360417684e+02 2.360417684e+02 1.42 2.199373385e+02 2.199373385e+02 1.44 2.048826502e+02 2.048826502e+02 1.46 1.908039517e+02 1.908039517e+02 1.48 1.776316542e+02 1.776316542e+02 1.50 1.653021474e+02 1.653021474e+02 1.52 1.537572740e+02 1.537572740e+02 1.54 1.429418173e+02 1.429418173e+02 1.56 1.328016950e+02 1.328016950e+02 1.58 1.232838374e+02 1.232838374e+02 1.60 1.143371050e+02 1.143371050e+02 1.62 1.059135939e+02 1.059135939e+02 1.64 9.797010949e+01 9.797010949e+01 1.66 9.046963676e+01 9.046963676e+01 1.68 8.338236725e+01 8.338236725e+01 1.70 7.668562018e+01 7.668562018e+01 1.72 7.036213247e+01 7.036213247e+01 1.74 6.439687751e+01 6.439687751e+01 1.76 5.877368504e+01 5.877368504e+01 1.78 5.347350664e+01 5.347350664e+01 1.80 4.852829255e+01 4.852829255e+01 1.82 4.397943496e+01 4.397943496e+01 1.84 3.979291482e+01 3.979291482e+01 1.86 3.593963957e+01 3.593963957e+01 1.88 3.239524636e+01 3.239524636e+01 1.90 2.913847563e+01 2.913847563e+01 1.92 2.614936942e+01 2.614936942e+01 1.94 2.340810285e+01 2.340810285e+01 1.96 2.089480912e+01 2.089480912e+01 1.98 1.859012472e+01 1.859012472e+01 2.00 1.647588788e+01 1.647588788e+01 2.02 1.453557647e+01 1.453557647e+01 2.04 1.275439860e+01 1.275439860e+01 2.06 1.111916022e+01 1.111916022e+01 2.08 9.618056558e+00 9.618056558e+00 2.10 8.240461526e+00 8.240461526e+00 2.12 6.976730565e+00 6.976730565e+00 2.14 5.818028068e+00 5.818028068e+00 2.16 4.756201480e+00 4.756201480e+00 2.18 3.783716327e+00 3.783716327e+00 2.20 2.893639712e+00 2.893639712e+00 2.22 2.079641712e+00 2.079641712e+00 2.24 1.335988748e+00 1.335988748e+00 2.26 6.575177804e-01 6.575177804e-01 2.28 3.959128141e-02 3.959128141e-02 2.30 -5.219630599e-01 -5.219630599e-01 2.32 -1.030923854e+00 -1.030923854e+00 2.34 -1.490751555e+00 -1.490751555e+00 2.36 -1.904660212e+00 -1.904660212e+00 2.38 -2.275680856e+00 -2.275680856e+00 2.40 -2.606716271e+00 -2.606716271e+00 2.42 -2.900587865e+00 -2.900587865e+00 2.44 -3.160072376e+00 -3.160072376e+00 2.46 -3.387924651e+00 -3.387924651e+00 2.48 -3.586883463e+00 -3.586883463e+00 2.50 -3.759659942e+00 -3.759659942e+00 2.52 -3.908908689e+00 -3.908908689e+00 2.54 -4.037181641e+00 -4.037181641e+00 2.56 -4.147259418e+00 -4.147259418e+00 2.58 -4.243440893e+00 -4.243440893e+00 2.60 -4.327310505e+00 -4.327310505e+00 2.62 -4.399819513e+00 -4.399819513e+00 2.64 -4.461738917e+00 -4.461738917e+00 2.66 -4.513677144e+00 -4.513677144e+00 2.68 -4.556139962e+00 -4.556139962e+00 2.70 -4.589535971e+00 -4.589535971e+00 2.72 -4.614154599e+00 -4.614154599e+00 2.74 -4.630263754e+00 -4.630263754e+00 2.76 -4.638123206e+00 -4.638123206e+00 2.78 -4.637991376e+00 -4.637991376e+00 2.80 -4.630129897e+00 -4.630129897e+00 2.82 -4.614808247e+00 -4.614808247e+00 2.84 -4.592311220e+00 -4.592311220e+00 2.86 -4.562947271e+00 -4.562947271e+00 2.88 -4.527025608e+00 -4.527025608e+00 2.90 -4.484893279e+00 -4.484893279e+00 2.92 -4.436987274e+00 -4.436987274e+00 2.94 -4.383844501e+00 -4.383844501e+00 2.96 -4.326100218e+00 -4.326100218e+00 2.98 -4.264471657e+00 -4.264471657e+00 3.00 -4.199725927e+00 -4.199725927e+00 3.02 -4.132635686e+00 -4.132635686e+00 3.04 -4.063930080e+00 -4.063930080e+00 3.06 -3.994250460e+00 -3.994250460e+00 3.08 -3.924125674e+00 -3.924125674e+00 3.10 -3.854015257e+00 -3.854015257e+00 3.12 -3.784142020e+00 -3.784142020e+00 3.14 -3.714593252e+00 -3.714593252e+00 3.16 -3.645379378e+00 -3.645379378e+00 3.18 -3.576459223e+00 -3.576459223e+00 3.20 -3.507762725e+00 -3.507762725e+00 3.22 -3.439209194e+00 -3.439209194e+00 3.24 -3.370720486e+00 -3.370720486e+00 3.26 -3.302229629e+00 -3.302229629e+00 3.28 -3.233686032e+00 -3.233686032e+00 3.30 -3.165060443e+00 -3.165060443e+00 3.32 -3.096345080e+00 -3.096345080e+00 3.34 -3.027550358e+00 -3.027550358e+00 3.36 -2.958703655e+00 -2.958703655e+00 3.38 -2.889847601e+00 -2.889847601e+00 3.40 -2.821038023e+00 -2.821038023e+00 3.42 -2.752365516e+00 -2.752365516e+00 3.44 -2.684002332e+00 -2.684002332e+00 3.46 -2.616124109e+00 -2.616124109e+00 3.48 -2.548892058e+00 -2.548892058e+00 3.50 -2.482453906e+00 -2.482453906e+00 3.52 -2.416944284e+00 -2.416944284e+00 3.54 -2.352484445e+00 -2.352484445e+00 3.56 -2.289181237e+00 -2.289181237e+00 3.58 -2.227125491e+00 -2.227125491e+00 3.60 -2.166390139e+00 -2.166390139e+00 3.62 -2.107028604e+00 -2.107028604e+00 3.64 -2.049073926e+00 -2.049073926e+00 3.66 -1.992538977e+00 -1.992538977e+00 3.68 -1.937417823e+00 -1.937417823e+00 3.70 -1.883688041e+00 -1.883688041e+00 3.72 -1.831313688e+00 -1.831313688e+00 3.74 -1.780248524e+00 -1.780248524e+00 3.76 -1.730439219e+00 -1.730439219e+00 3.78 -1.681828312e+00 -1.681828312e+00 3.80 -1.634356801e+00 -1.634356801e+00 3.82 -1.587966323e+00 -1.587966323e+00 3.84 -1.542600884e+00 -1.542600884e+00 3.86 -1.498208167e+00 -1.498208167e+00 3.88 -1.454740447e+00 -1.454740447e+00 3.90 -1.412155169e+00 -1.412155169e+00 3.92 -1.370415234e+00 -1.370415234e+00 3.94 -1.329489223e+00 -1.329489223e+00 3.96 -1.289351315e+00 -1.289351315e+00 3.98 -1.249981446e+00 -1.249981446e+00 4.00 -1.211365407e+00 -1.211365407e+00 4.02 -1.173495064e+00 -1.173495064e+00 4.04 -1.136368637e+00 -1.136368637e+00 4.06 -1.099990985e+00 -1.099990985e+00 4.08 -1.064373736e+00 -1.064373736e+00 4.10 -1.029535109e+00 -1.029535109e+00 4.12 -9.954995075e-01 -9.954995075e-01 4.14 -9.622960572e-01 -9.622960572e-01 4.16 -9.299570361e-01 -9.299570361e-01 4.18 -8.985154628e-01 -8.985154628e-01 4.20 -8.680023445e-01 -8.680023445e-01 4.22 -8.384437978e-01 -8.384437978e-01 4.24 -8.098583734e-01 -8.098583734e-01 4.26 -7.822548959e-01 -7.822548959e-01 4.28 -7.556310540e-01 -7.556310540e-01 4.30 -7.299728470e-01 -7.299728470e-01 4.32 -7.052548509e-01 -7.052548509e-01 4.34 -6.814411567e-01 -6.814411567e-01 4.36 -6.584867631e-01 -6.584867631e-01 4.38 -6.363391991e-01 -6.363391991e-01 4.40 -6.149401829e-01 -6.149401829e-01 4.42 -5.942271865e-01 -5.942271865e-01 4.44 -5.741348329e-01 -5.741348329e-01 4.46 -5.545961105e-01 -5.545961105e-01 4.48 -5.355434219e-01 -5.355434219e-01 4.50 -5.169095075e-01 -5.169095075e-01 4.52 -4.986282931e-01 -4.986282931e-01 4.54 -4.806357132e-01 -4.806357132e-01 4.56 -4.628705608e-01 -4.628705608e-01 4.58 -4.452754092e-01 -4.452754092e-01 4.60 -4.277976443e-01 -4.277976443e-01 4.62 -4.103906316e-01 -4.103906316e-01 4.64 -3.930150257e-01 -3.930150257e-01 4.66 -3.756402006e-01 -3.756402006e-01 4.68 -3.582457523e-01 -3.582457523e-01 4.70 -3.408229819e-01 -3.408229819e-01 4.72 -3.233762367e-01 -3.233762367e-01 4.74 -3.059239497e-01 -3.059239497e-01 4.76 -2.884992021e-01 -2.884992021e-01 4.78 -2.711496339e-01 -2.711496339e-01 4.80 -2.539365177e-01 -2.539365177e-01 4.82 -2.369331697e-01 -2.369331697e-01 4.84 -2.202220432e-01 -2.202220432e-01 4.86 -2.038915253e-01 -2.038915253e-01 4.88 -1.880319526e-01 -1.880319526e-01 4.90 -1.727314401e-01 -1.727314401e-01 4.92 -1.580718203e-01 -1.580718203e-01 4.94 -1.441250343e-01 -1.441250343e-01 4.96 -1.309502610e-01 -1.309502610e-01 4.98 -1.185919688e-01 -1.185919688e-01 5.00 -1.070789646e-01 -1.070789646e-01 5.02 -9.642439624e-02 -9.642439624e-02 5.04 -8.662657985e-02 -8.662657985e-02 5.06 -7.767046436e-02 -7.767046436e-02 5.08 -6.952952575e-02 -6.952952575e-02 5.10 -6.216789234e-02 -6.216789234e-02 5.12 -5.554253000e-02 -5.554253000e-02 5.14 -4.960535328e-02 -4.960535328e-02 5.16 -4.430516681e-02 -4.430516681e-02 5.18 -3.958937565e-02 -3.958937565e-02 5.20 -3.540542978e-02 -3.540542978e-02 5.22 -3.170199692e-02 -3.170199692e-02 5.24 -2.842986446e-02 -2.842986446e-02 5.26 -2.554253229e-02 -2.554253229e-02 5.28 -2.299656261e-02 -2.299656261e-02 5.30 -2.075222788e-02 -2.075222788e-02 5.32 -1.877330278e-02 -1.877330278e-02 5.34 -1.702734843e-02 -1.702734843e-02 5.36 -1.548516929e-02 -1.548516929e-02 5.38 -1.412068837e-02 -1.412068837e-02 5.40 -1.291076733e-02 -1.291076733e-02 5.42 -1.183498657e-02 -1.183498657e-02 5.44 -1.087540679e-02 -1.087540679e-02 5.46 -1.001632748e-02 -1.001632748e-02 5.48 -9.244052903e-03 -9.244052903e-03 5.50 -8.546672234e-03 -8.546672234e-03 5.52 -7.913857888e-03 -7.913857888e-03 5.54 -7.336683232e-03 -7.336683232e-03 5.56 -6.807461520e-03 -6.807461520e-03 5.58 -6.319607920e-03 -6.319607920e-03 5.60 -5.867514319e-03 -5.867514319e-03 5.62 -5.446442615e-03 -5.446442615e-03 5.64 -5.052431885e-03 -5.052431885e-03 5.66 -4.682216520e-03 -4.682216520e-03 5.68 -4.333152452e-03 -4.333152452e-03 5.70 -4.003148639e-03 -4.003148639e-03 5.72 -3.690601280e-03 -3.690601280e-03 5.74 -3.394328693e-03 -3.394328693e-03 5.76 -3.113506039e-03 -3.113506039e-03 5.78 -2.848005093e-03 -2.848005093e-03 5.80 -2.597693439e-03 -2.597693439e-03 5.82 -2.362180880e-03 -2.362180880e-03 5.84 -2.141200616e-03 -2.141200616e-03 5.86 -1.934555008e-03 -1.934555008e-03 5.88 -1.742067302e-03 -1.742067302e-03 5.90 -1.563541027e-03 -1.563541027e-03 5.92 -1.398728442e-03 -1.398728442e-03 5.94 -1.247308815e-03 -1.247308815e-03 5.96 -1.108876572e-03 -1.108876572e-03 5.98 -9.829386151e-04 -9.829386151e-04 6.00 -8.689194961e-04 -8.689194961e-04