# 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 = CoPdTi2 # 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 2.536240519e+02 2.536240519e+02 1.30 2.346910520e+02 2.346910520e+02 1.32 2.171802844e+02 2.171802844e+02 1.34 2.009783204e+02 2.009783204e+02 1.36 1.859794783e+02 1.859794783e+02 1.38 1.720854726e+02 1.720854726e+02 1.40 1.592062180e+02 1.592062180e+02 1.42 1.472605025e+02 1.472605025e+02 1.44 1.361758236e+02 1.361758236e+02 1.46 1.258872916e+02 1.258872916e+02 1.48 1.163360608e+02 1.163360608e+02 1.50 1.074680017e+02 1.074680017e+02 1.52 9.923284910e+01 9.923284910e+01 1.54 9.158372148e+01 9.158372148e+01 1.56 8.447689202e+01 8.447689202e+01 1.58 7.787164059e+01 7.787164059e+01 1.60 7.173013146e+01 7.173013146e+01 1.62 6.601741076e+01 6.601741076e+01 1.64 6.070148087e+01 6.070148087e+01 1.66 5.575325342e+01 5.575325342e+01 1.68 5.114632397e+01 5.114632397e+01 1.70 4.685666540e+01 4.685666540e+01 1.72 4.286227717e+01 4.286227717e+01 1.74 3.914278148e+01 3.914278148e+01 1.76 3.567919699e+01 3.567919699e+01 1.78 3.245496555e+01 3.245496555e+01 1.80 2.946584841e+01 2.946584841e+01 1.82 2.669812926e+01 2.669812926e+01 1.84 2.413549382e+01 2.413549382e+01 1.86 2.176299966e+01 2.176299966e+01 1.88 1.956695922e+01 1.956695922e+01 1.90 1.753483372e+01 1.753483372e+01 1.92 1.565512507e+01 1.565512507e+01 1.94 1.391724162e+01 1.391724162e+01 1.96 1.231134734e+01 1.231134734e+01 1.98 1.082823331e+01 1.082823331e+01 2.00 9.459240510e+00 9.459240510e+00 2.02 8.196224510e+00 8.196224510e+00 2.04 7.031536451e+00 7.031536451e+00 2.06 5.958011283e+00 5.958011283e+00 2.08 4.968970323e+00 4.968970323e+00 2.10 4.058235606e+00 4.058235606e+00 2.12 3.220134747e+00 3.220134747e+00 2.14 2.449478692e+00 2.449478692e+00 2.16 1.741514013e+00 1.741514013e+00 2.18 1.091863909e+00 1.091863909e+00 2.20 4.964706686e-01 4.964706686e-01 2.22 -4.845525427e-02 -4.845525427e-02 2.24 -5.464747688e-01 -5.464747688e-01 2.26 -1.000943790e+00 -1.000943790e+00 2.28 -1.415020388e+00 -1.415020388e+00 2.30 -1.791660899e+00 -1.791660899e+00 2.32 -2.133616529e+00 -2.133616529e+00 2.34 -2.443435027e+00 -2.443435027e+00 2.36 -2.723469943e+00 -2.723469943e+00 2.38 -2.975895483e+00 -2.975895483e+00 2.40 -3.202726393e+00 -3.202726393e+00 2.42 -3.405841089e+00 -3.405841089e+00 2.44 -3.587004595e+00 -3.587004595e+00 2.46 -3.747888102e+00 -3.747888102e+00 2.48 -3.890081352e+00 -3.890081352e+00 2.50 -4.015095627e+00 -4.015095627e+00 2.52 -4.124357404e+00 -4.124357404e+00 2.54 -4.219196366e+00 -4.219196366e+00 2.56 -4.300833772e+00 -4.300833772e+00 2.58 -4.370376249e+00 -4.370376249e+00 2.60 -4.428895452e+00 -4.428895452e+00 2.62 -4.477287857e+00 -4.477287857e+00 2.64 -4.516215491e+00 -4.516215491e+00 2.66 -4.546293891e+00 -4.546293891e+00 2.68 -4.568125508e+00 -4.568125508e+00 2.70 -4.582210524e+00 -4.582210524e+00 2.72 -4.589011712e+00 -4.589011712e+00 2.74 -4.588976426e+00 -4.588976426e+00 2.76 -4.582459441e+00 -4.582459441e+00 2.78 -4.569707675e+00 -4.569707675e+00 2.80 -4.551221168e+00 -4.551221168e+00 2.82 -4.527154231e+00 -4.527154231e+00 2.84 -4.497649939e+00 -4.497649939e+00 2.86 -4.462865560e+00 -4.462865560e+00 2.88 -4.423000224e+00 -4.423000224e+00 2.90 -4.378310424e+00 -4.378310424e+00 2.92 -4.329101917e+00 -4.329101917e+00 2.94 -4.275721326e+00 -4.275721326e+00 2.96 -4.218568944e+00 -4.218568944e+00 2.98 -4.158095579e+00 -4.158095579e+00 3.00 -4.094758507e+00 -4.094758507e+00 3.02 -4.029011965e+00 -4.029011965e+00 3.04 -3.961298253e+00 -3.961298253e+00 3.06 -3.892035881e+00 -3.892035881e+00 3.08 -3.821604870e+00 -3.821604870e+00 3.10 -3.750334342e+00 -3.750334342e+00 3.12 -3.678494900e+00 -3.678494900e+00 3.14 -3.606298909e+00 -3.606298909e+00 3.16 -3.533906857e+00 -3.533906857e+00 3.18 -3.461438820e+00 -3.461438820e+00 3.20 -3.388986584e+00 -3.388986584e+00 3.22 -3.316624480e+00 -3.316624480e+00 3.24 -3.244417568e+00 -3.244417568e+00 3.26 -3.172426944e+00 -3.172426944e+00 3.28 -3.100712613e+00 -3.100712613e+00 3.30 -3.029334594e+00 -3.029334594e+00 3.32 -2.958352956e+00 -2.958352956e+00 3.34 -2.887827362e+00 -2.887827362e+00 3.36 -2.817816542e+00 -2.817816542e+00 3.38 -2.748378050e+00 -2.748378050e+00 3.40 -2.679568463e+00 -2.679568463e+00 3.42 -2.611444318e+00 -2.611444318e+00 3.44 -2.544063319e+00 -2.544063319e+00 3.46 -2.477486227e+00 -2.477486227e+00 3.48 -2.411778578e+00 -2.411778578e+00 3.50 -2.347011879e+00 -2.347011879e+00 3.52 -2.283263587e+00 -2.283263587e+00 3.54 -2.220615343e+00 -2.220615343e+00 3.56 -2.159149248e+00 -2.159149248e+00 3.58 -2.098942524e+00 -2.098942524e+00 3.60 -2.040061454e+00 -2.040061454e+00 3.62 -1.982555848e+00 -1.982555848e+00 3.64 -1.926455230e+00 -1.926455230e+00 3.66 -1.871767491e+00 -1.871767491e+00 3.68 -1.818480097e+00 -1.818480097e+00 3.70 -1.766563339e+00 -1.766563339e+00 3.72 -1.715974786e+00 -1.715974786e+00 3.74 -1.666664059e+00 -1.666664059e+00 3.76 -1.618577229e+00 -1.618577229e+00 3.78 -1.571660412e+00 -1.571660412e+00 3.80 -1.525862417e+00 -1.525862417e+00 3.82 -1.481136437e+00 -1.481136437e+00 3.84 -1.437440946e+00 -1.437440946e+00 3.86 -1.394739951e+00 -1.394739951e+00 3.88 -1.353002812e+00 -1.353002812e+00 3.90 -1.312203778e+00 -1.312203778e+00 3.92 -1.272321353e+00 -1.272321353e+00 3.94 -1.233337891e+00 -1.233337891e+00 3.96 -1.195238744e+00 -1.195238744e+00 3.98 -1.158012050e+00 -1.158012050e+00 4.00 -1.121648369e+00 -1.121648369e+00 4.02 -1.086140471e+00 -1.086140471e+00 4.04 -1.051483176e+00 -1.051483176e+00 4.06 -1.017673191e+00 -1.017673191e+00 4.08 -9.847088810e-01 -9.847088810e-01 4.10 -9.525898073e-01 -9.525898073e-01 4.12 -9.213167127e-01 -9.213167127e-01 4.14 -8.908901614e-01 -8.908901614e-01 4.16 -8.613103743e-01 -8.613103743e-01 4.18 -8.325763903e-01 -8.325763903e-01 4.20 -8.046854365e-01 -8.046854365e-01 4.22 -7.776324285e-01 -7.776324285e-01 4.24 -7.514096272e-01 -7.514096272e-01 4.26 -7.260064450e-01 -7.260064450e-01 4.28 -7.014093672e-01 -7.014093672e-01 4.30 -6.776019445e-01 -6.776019445e-01 4.32 -6.545648286e-01 -6.545648286e-01 4.34 -6.322758452e-01 -6.322758452e-01 4.36 -6.107101211e-01 -6.107101211e-01 4.38 -5.898402948e-01 -5.898402948e-01 4.40 -5.696368352e-01 -5.696368352e-01 4.42 -5.500684730e-01 -5.500684730e-01 4.44 -5.311027279e-01 -5.311027279e-01 4.46 -5.127064990e-01 -5.127064990e-01 4.48 -4.948466763e-01 -4.948466763e-01 4.50 -4.774907379e-01 -4.774907379e-01 4.52 -4.606073056e-01 -4.606073056e-01 4.54 -4.441666473e-01 -4.441666473e-01 4.56 -4.281411226e-01 -4.281411226e-01 4.58 -4.125055743e-01 -4.125055743e-01 4.60 -3.972376672e-01 -3.972376672e-01 4.62 -3.823181738e-01 -3.823181738e-01 4.64 -3.677311957e-01 -3.677311957e-01 4.66 -3.534643069e-01 -3.534643069e-01 4.68 -3.395085992e-01 -3.395085992e-01 4.70 -3.258586107e-01 -3.258586107e-01 4.72 -3.125121283e-01 -3.125121283e-01 4.74 -2.994698634e-01 -2.994698634e-01 4.76 -2.867350204e-01 -2.867350204e-01 4.78 -2.743127929e-01 -2.743127929e-01 4.80 -2.622097555e-01 -2.622097555e-01 4.82 -2.504337122e-01 -2.504337122e-01 4.84 -2.389927451e-01 -2.389927451e-01 4.86 -2.278952888e-01 -2.278952888e-01 4.88 -2.171498472e-01 -2.171498472e-01 4.90 -2.067649022e-01 -2.067649022e-01 4.92 -1.967488666e-01 -1.967488666e-01 4.94 -1.871100180e-01 -1.871100180e-01 4.96 -1.778563524e-01 -1.778563524e-01 4.98 -1.689953144e-01 -1.689953144e-01 5.00 -1.605333891e-01 -1.605333891e-01 5.02 -1.524755789e-01 -1.524755789e-01 5.04 -1.448248150e-01 -1.448248150e-01 5.06 -1.375813822e-01 -1.375813822e-01 5.08 -1.307424350e-01 -1.307424350e-01 5.10 -1.243016734e-01 -1.243016734e-01 5.12 -1.182492344e-01 -1.182492344e-01 5.14 -1.125718076e-01 -1.125718076e-01 5.16 -1.072529623e-01 -1.072529623e-01 5.18 -1.022732164e-01 -1.022732164e-01 5.20 -9.761154105e-02 -9.761154105e-02 5.22 -9.324588020e-02 -9.324588020e-02 5.24 -8.915329261e-02 -8.915329261e-02 5.26 -8.531060991e-02 -8.531060991e-02 5.28 -8.169498551e-02 -8.169498551e-02 5.30 -7.828432261e-02 -7.828432261e-02 5.32 -7.505758308e-02 -7.505758308e-02 5.34 -7.199498862e-02 -7.199498862e-02 5.36 -6.907813112e-02 -6.907813112e-02 5.38 -6.629001229e-02 -6.629001229e-02 5.40 -6.361503194e-02 -6.361503194e-02 5.42 -6.103894350e-02 -6.103894350e-02 5.44 -5.854879248e-02 -5.854879248e-02 5.46 -5.613285096e-02 -5.613285096e-02 5.48 -5.378055855e-02 -5.378055855e-02 5.50 -5.148247749e-02 -5.148247749e-02 5.52 -4.923026701e-02 -4.923026701e-02 5.54 -4.701668008e-02 -4.701668008e-02 5.56 -4.483558288e-02 -4.483558288e-02 5.58 -4.268199538e-02 -4.268199538e-02 5.60 -4.055214851e-02 -4.055214851e-02 5.62 -3.844355110e-02 -3.844355110e-02 5.64 -3.635505701e-02 -3.635505701e-02 5.66 -3.428692088e-02 -3.428692088e-02 5.68 -3.224082648e-02 -3.224082648e-02 5.70 -3.021987752e-02 -3.021987752e-02 5.72 -2.822853489e-02 -2.822853489e-02 5.74 -2.627249017e-02 -2.627249017e-02 5.76 -2.435847002e-02 -2.435847002e-02 5.78 -2.249397246e-02 -2.249397246e-02 5.80 -2.068694721e-02 -2.068694721e-02 5.82 -1.894543093e-02 -1.894543093e-02 5.84 -1.727716546e-02 -1.727716546e-02 5.86 -1.568922739e-02 -1.568922739e-02 5.88 -1.418769650e-02 -1.418769650e-02 5.90 -1.277738811e-02 -1.277738811e-02 5.92 -1.146160797e-02 -1.146160797e-02 5.94 -1.024203734e-02 -1.024203734e-02 5.96 -9.119053875e-03 -9.119053875e-03 5.98 -8.091554796e-03 -8.091554796e-03 6.00 -7.157091189e-03 -7.157091189e-03