# 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 = CuTi2Zr # 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 2.445071704e+02 2.445071704e+02 1.30 2.264113465e+02 2.264113465e+02 1.32 2.096721816e+02 2.096721816e+02 1.34 1.941799290e+02 1.941799290e+02 1.36 1.798329313e+02 1.798329313e+02 1.38 1.665388076e+02 1.665388076e+02 1.40 1.542141345e+02 1.542141345e+02 1.42 1.427830505e+02 1.427830505e+02 1.44 1.321761505e+02 1.321761505e+02 1.46 1.223300674e+02 1.223300674e+02 1.48 1.131870507e+02 1.131870507e+02 1.50 1.046941401e+02 1.046941401e+02 1.52 9.680235454e+01 9.680235454e+01 1.54 8.946624066e+01 8.946624066e+01 1.56 8.264390944e+01 8.264390944e+01 1.58 7.629727706e+01 7.629727706e+01 1.60 7.039209110e+01 7.039209110e+01 1.62 6.489758759e+01 6.489758759e+01 1.64 5.978591978e+01 5.978591978e+01 1.66 5.503147224e+01 5.503147224e+01 1.68 5.061022623e+01 5.061022623e+01 1.70 4.649945141e+01 4.649945141e+01 1.72 4.267766560e+01 4.267766560e+01 1.74 3.912474779e+01 3.912474779e+01 1.76 3.582194586e+01 3.582194586e+01 1.78 3.275175307e+01 3.275175307e+01 1.80 2.989773725e+01 2.989773725e+01 1.82 2.724446681e+01 2.724446681e+01 1.84 2.477746180e+01 2.477746180e+01 1.86 2.248347113e+01 2.248347113e+01 1.88 2.035048860e+01 2.035048860e+01 1.90 1.836737393e+01 1.836737393e+01 1.92 1.652364888e+01 1.652364888e+01 1.94 1.480960361e+01 1.480960361e+01 1.96 1.321631948e+01 1.321631948e+01 1.98 1.173560754e+01 1.173560754e+01 2.00 1.035998773e+01 1.035998773e+01 2.02 9.082607829e+00 9.082607829e+00 2.04 7.897115600e+00 7.897115600e+00 2.06 6.797541688e+00 6.797541688e+00 2.08 5.778232045e+00 5.778232045e+00 2.10 4.833848469e+00 4.833848469e+00 2.12 3.959393291e+00 3.959393291e+00 2.14 3.150227345e+00 3.150227345e+00 2.16 2.402071654e+00 2.402071654e+00 2.18 1.710970990e+00 1.710970990e+00 2.20 1.073238992e+00 1.073238992e+00 2.22 4.853806643e-01 4.853806643e-01 2.24 -5.596553971e-02 -5.596553971e-02 2.26 -5.540519195e-01 -5.540519195e-01 2.28 -1.012023278e+00 -1.012023278e+00 2.30 -1.432864792e+00 -1.432864792e+00 2.32 -1.819387142e+00 -1.819387142e+00 2.34 -2.174171553e+00 -2.174171553e+00 2.36 -2.499562660e+00 -2.499562660e+00 2.38 -2.797664942e+00 -2.797664942e+00 2.40 -3.070366613e+00 -3.070366613e+00 2.42 -3.319385857e+00 -3.319385857e+00 2.44 -3.546314320e+00 -3.546314320e+00 2.46 -3.752658309e+00 -3.752658309e+00 2.48 -3.939856887e+00 -3.939856887e+00 2.50 -4.109282676e+00 -4.109282676e+00 2.52 -4.262231117e+00 -4.262231117e+00 2.54 -4.399906370e+00 -4.399906370e+00 2.56 -4.523410531e+00 -4.523410531e+00 2.58 -4.633740738e+00 -4.633740738e+00 2.60 -4.731796034e+00 -4.731796034e+00 2.62 -4.818390806e+00 -4.818390806e+00 2.64 -4.894288200e+00 -4.894288200e+00 2.66 -4.960251023e+00 -4.960251023e+00 2.68 -5.016915212e+00 -5.016915212e+00 2.70 -5.064878159e+00 -5.064878159e+00 2.72 -5.104725686e+00 -5.104725686e+00 2.74 -5.137022894e+00 -5.137022894e+00 2.76 -5.162302205e+00 -5.162302205e+00 2.78 -5.181050805e+00 -5.181050805e+00 2.80 -5.193710247e+00 -5.193710247e+00 2.82 -5.200646844e+00 -5.200646844e+00 2.84 -5.202141210e+00 -5.202141210e+00 2.86 -5.198307037e+00 -5.198307037e+00 2.88 -5.189266097e+00 -5.189266097e+00 2.90 -5.175176042e+00 -5.175176042e+00 2.92 -5.156233273e+00 -5.156233273e+00 2.94 -5.132673573e+00 -5.132673573e+00 2.96 -5.104770783e+00 -5.104770783e+00 2.98 -5.072849641e+00 -5.072849641e+00 3.00 -5.037424838e+00 -5.037424838e+00 3.02 -4.998653127e+00 -4.998653127e+00 3.04 -4.956579606e+00 -4.956579606e+00 3.06 -4.911317737e+00 -4.911317737e+00 3.08 -4.863014753e+00 -4.863014753e+00 3.10 -4.811838365e+00 -4.811838365e+00 3.12 -4.757955749e+00 -4.757955749e+00 3.14 -4.701531862e+00 -4.701531862e+00 3.16 -4.642713993e+00 -4.642713993e+00 3.18 -4.581655125e+00 -4.581655125e+00 3.20 -4.518508876e+00 -4.518508876e+00 3.22 -4.453422532e+00 -4.453422532e+00 3.24 -4.386542223e+00 -4.386542223e+00 3.26 -4.318017786e+00 -4.318017786e+00 3.28 -4.248006180e+00 -4.248006180e+00 3.30 -4.176672707e+00 -4.176672707e+00 3.32 -4.104189512e+00 -4.104189512e+00 3.34 -4.030731514e+00 -4.030731514e+00 3.36 -3.956470782e+00 -3.956470782e+00 3.38 -3.881570964e+00 -3.881570964e+00 3.40 -3.806182441e+00 -3.806182441e+00 3.42 -3.730444888e+00 -3.730444888e+00 3.44 -3.654482487e+00 -3.654482487e+00 3.46 -3.578411612e+00 -3.578411612e+00 3.48 -3.502343783e+00 -3.502343783e+00 3.50 -3.426389403e+00 -3.426389403e+00 3.52 -3.350660103e+00 -3.350660103e+00 3.54 -3.275269070e+00 -3.275269070e+00 3.56 -3.200329170e+00 -3.200329170e+00 3.58 -3.125949260e+00 -3.125949260e+00 3.60 -3.052229531e+00 -3.052229531e+00 3.62 -2.979257046e+00 -2.979257046e+00 3.64 -2.907102609e+00 -2.907102609e+00 3.66 -2.835819731e+00 -2.835819731e+00 3.68 -2.765445897e+00 -2.765445897e+00 3.70 -2.696005854e+00 -2.696005854e+00 3.72 -2.627516223e+00 -2.627516223e+00 3.74 -2.559990692e+00 -2.559990692e+00 3.76 -2.493445020e+00 -2.493445020e+00 3.78 -2.427901255e+00 -2.427901255e+00 3.80 -2.363390679e+00 -2.363390679e+00 3.82 -2.299955108e+00 -2.299955108e+00 3.84 -2.237646353e+00 -2.237646353e+00 3.86 -2.176523818e+00 -2.176523818e+00 3.88 -2.116650494e+00 -2.116650494e+00 3.90 -2.058087881e+00 -2.058087881e+00 3.92 -2.000889352e+00 -2.000889352e+00 3.94 -1.945100660e+00 -1.945100660e+00 3.96 -1.890748025e+00 -1.890748025e+00 3.98 -1.837842314e+00 -1.837842314e+00 4.00 -1.786377517e+00 -1.786377517e+00 4.02 -1.736332362e+00 -1.736332362e+00 4.04 -1.687672959e+00 -1.687672959e+00 4.06 -1.640355929e+00 -1.640355929e+00 4.08 -1.594331525e+00 -1.594331525e+00 4.10 -1.549541909e+00 -1.549541909e+00 4.12 -1.505942256e+00 -1.505942256e+00 4.14 -1.463472749e+00 -1.463472749e+00 4.16 -1.422080731e+00 -1.422080731e+00 4.18 -1.381715987e+00 -1.381715987e+00 4.20 -1.342331342e+00 -1.342331342e+00 4.22 -1.303883110e+00 -1.303883110e+00 4.24 -1.266331484e+00 -1.266331484e+00 4.26 -1.229640923e+00 -1.229640923e+00 4.28 -1.193780552e+00 -1.193780552e+00 4.30 -1.158724561e+00 -1.158724561e+00 4.32 -1.124452568e+00 -1.124452568e+00 4.34 -1.090949853e+00 -1.090949853e+00 4.36 -1.058207422e+00 -1.058207422e+00 4.38 -1.026221780e+00 -1.026221780e+00 4.40 -9.949943889e-01 -9.949943889e-01 4.42 -9.645307699e-01 -9.645307699e-01 4.44 -9.348392778e-01 -9.348392778e-01 4.46 -9.059296321e-01 -9.059296321e-01 4.48 -8.778113236e-01 -8.778113236e-01 4.50 -8.504920510e-01 -8.504920510e-01 4.52 -8.239763401e-01 -8.239763401e-01 4.54 -7.982644746e-01 -7.982644746e-01 4.56 -7.733518209e-01 -7.733518209e-01 4.58 -7.492285746e-01 -7.492285746e-01 4.60 -7.258798993e-01 -7.258798993e-01 4.62 -7.032863903e-01 -7.032863903e-01 4.64 -6.814247680e-01 -6.814247680e-01 4.66 -6.602687048e-01 -6.602687048e-01 4.68 -6.397896951e-01 -6.397896951e-01 4.70 -6.199579001e-01 -6.199579001e-01 4.72 -6.007429221e-01 -6.007429221e-01 4.74 -5.821144837e-01 -5.821144837e-01 4.76 -5.640430072e-01 -5.640430072e-01 4.78 -5.465000999e-01 -5.465000999e-01 4.80 -5.294558240e-01 -5.294558240e-01 4.82 -5.128921183e-01 -5.128921183e-01 4.84 -4.967825822e-01 -4.967825822e-01 4.86 -4.811070656e-01 -4.811070656e-01 4.88 -4.658480923e-01 -4.658480923e-01 4.90 -4.509910066e-01 -4.509910066e-01 4.92 -4.365240471e-01 -4.365240471e-01 4.94 -4.224383196e-01 -4.224383196e-01 4.96 -4.087276464e-01 -4.087276464e-01 4.98 -3.953882711e-01 -3.953882711e-01 5.00 -3.824184111e-01 -3.824184111e-01 5.02 -3.698176698e-01 -3.698176698e-01 5.04 -3.575863419e-01 -3.575863419e-01 5.06 -3.457246648e-01 -3.457246648e-01 5.08 -3.342320854e-01 -3.342320854e-01 5.10 -3.231066132e-01 -3.231066132e-01 5.12 -3.123443210e-01 -3.123443210e-01 5.14 -3.019390396e-01 -3.019390396e-01 5.16 -2.918822596e-01 -2.918822596e-01 5.18 -2.821632346e-01 -2.821632346e-01 5.20 -2.727692505e-01 -2.727692505e-01 5.22 -2.636860195e-01 -2.636860195e-01 5.24 -2.548981446e-01 -2.548981446e-01 5.26 -2.463896115e-01 -2.463896115e-01 5.28 -2.381442645e-01 -2.381442645e-01 5.30 -2.301462419e-01 -2.301462419e-01 5.32 -2.223803476e-01 -2.223803476e-01 5.34 -2.148323515e-01 -2.148323515e-01 5.36 -2.074892109e-01 -2.074892109e-01 5.38 -2.003392131e-01 -2.003392131e-01 5.40 -1.933720397e-01 -1.933720397e-01 5.42 -1.865787553e-01 -1.865787553e-01 5.44 -1.799517289e-01 -1.799517289e-01 5.46 -1.734844966e-01 -1.734844966e-01 5.48 -1.671715810e-01 -1.671715810e-01 5.50 -1.610082873e-01 -1.610082873e-01 5.52 -1.549904990e-01 -1.549904990e-01 5.54 -1.491144974e-01 -1.491144974e-01 5.56 -1.433768282e-01 -1.433768282e-01 5.58 -1.377742313e-01 -1.377742313e-01 5.60 -1.323036432e-01 -1.323036432e-01 5.62 -1.269622701e-01 -1.269622701e-01 5.64 -1.217477194e-01 -1.217477194e-01 5.66 -1.166581668e-01 -1.166581668e-01 5.68 -1.116925312e-01 -1.116925312e-01 5.70 -1.068506263e-01 -1.068506263e-01 5.72 -1.021332565e-01 -1.021332565e-01 5.74 -9.754223399e-02 -9.754223399e-02 5.76 -9.308030004e-02 -9.308030004e-02 5.78 -8.875094502e-02 -8.875094502e-02 5.80 -8.455813579e-02 -8.455813579e-02 5.82 -8.050597062e-02 -8.050597062e-02 5.84 -7.659829134e-02 -7.659829134e-02 5.86 -7.283829004e-02 -7.283829004e-02 5.88 -6.922814732e-02 -6.922814732e-02 5.90 -6.576873634e-02 -6.576873634e-02 5.92 -6.245936562e-02 -6.245936562e-02 5.94 -5.929760613e-02 -5.929760613e-02 5.96 -5.627962982e-02 -5.627962982e-02 5.98 -5.340026956e-02 -5.340026956e-02 6.00 -5.065302705e-02 -5.065302705e-02