# 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 = AlCoTa2 # 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 2.294905892e+02 2.294905892e+02 1.30 2.125706893e+02 2.125706893e+02 1.32 1.969113415e+02 1.969113415e+02 1.34 1.824083671e+02 1.824083671e+02 1.36 1.689671093e+02 1.689671093e+02 1.38 1.565023864e+02 1.565023864e+02 1.40 1.449377444e+02 1.449377444e+02 1.42 1.342042213e+02 1.342042213e+02 1.44 1.242388046e+02 1.242388046e+02 1.46 1.149830593e+02 1.149830593e+02 1.48 1.063823485e+02 1.063823485e+02 1.50 9.838556064e+01 9.838556064e+01 1.52 9.094503940e+01 9.094503940e+01 1.54 8.401665743e+01 8.401665743e+01 1.56 7.756008419e+01 7.756008419e+01 1.58 7.153907530e+01 7.153907530e+01 1.60 6.592149159e+01 6.592149159e+01 1.62 6.067892992e+01 6.067892992e+01 1.64 5.578608738e+01 5.578608738e+01 1.66 5.122008141e+01 5.122008141e+01 1.68 4.695989783e+01 4.695989783e+01 1.70 4.298601000e+01 4.298601000e+01 1.72 3.928010990e+01 3.928010990e+01 1.74 3.582489133e+01 3.582489133e+01 1.76 3.260389627e+01 3.260389627e+01 1.78 2.960146941e+01 2.960146941e+01 1.80 2.680282768e+01 2.680282768e+01 1.82 2.419963623e+01 2.419963623e+01 1.84 2.178316678e+01 2.178316678e+01 1.86 1.954090170e+01 1.954090170e+01 1.88 1.746123620e+01 1.746123620e+01 1.90 1.553352430e+01 1.553352430e+01 1.92 1.374944186e+01 1.374944186e+01 1.94 1.210000037e+01 1.210000037e+01 1.96 1.057566274e+01 1.057566274e+01 1.98 9.167241330e+00 9.167241330e+00 2.00 7.865951641e+00 7.865951641e+00 2.02 6.663506948e+00 6.663506948e+00 2.04 5.552224362e+00 5.552224362e+00 2.06 4.525108554e+00 4.525108554e+00 2.08 3.575886366e+00 3.575886366e+00 2.10 2.698983652e+00 2.698983652e+00 2.12 1.889455009e+00 1.889455009e+00 2.14 1.142888601e+00 1.142888601e+00 2.16 4.553089501e-01 4.553089501e-01 2.18 -1.769076993e-01 -1.769076993e-01 2.20 -7.571026251e-01 -7.571026251e-01 2.22 -1.288394309e+00 -1.288394309e+00 2.24 -1.773735563e+00 -1.773735563e+00 2.26 -2.215970268e+00 -2.215970268e+00 2.28 -2.617885521e+00 -2.617885521e+00 2.30 -2.982250592e+00 -2.982250592e+00 2.32 -3.311833533e+00 -3.311833533e+00 2.34 -3.609389121e+00 -3.609389121e+00 2.36 -3.877618625e+00 -3.877618625e+00 2.38 -4.119109858e+00 -4.119109858e+00 2.40 -4.336272624e+00 -4.336272624e+00 2.42 -4.531286380e+00 -4.531286380e+00 2.44 -4.706072678e+00 -4.706072678e+00 2.46 -4.862296733e+00 -4.862296733e+00 2.48 -5.001394129e+00 -5.001394129e+00 2.50 -5.124434822e+00 -5.124434822e+00 2.52 -5.232563519e+00 -5.232563519e+00 2.54 -5.327052558e+00 -5.327052558e+00 2.56 -5.409079482e+00 -5.409079482e+00 2.58 -5.479768569e+00 -5.479768569e+00 2.60 -5.540207827e+00 -5.540207827e+00 2.62 -5.591439544e+00 -5.591439544e+00 2.64 -5.634413911e+00 -5.634413911e+00 2.66 -5.669679906e+00 -5.669679906e+00 2.68 -5.697497371e+00 -5.697497371e+00 2.70 -5.718117033e+00 -5.718117033e+00 2.72 -5.731767694e+00 -5.731767694e+00 2.74 -5.738648953e+00 -5.738648953e+00 2.76 -5.738933987e+00 -5.738933987e+00 2.78 -5.732776705e+00 -5.732776705e+00 2.80 -5.720319535e+00 -5.720319535e+00 2.82 -5.701700116e+00 -5.701700116e+00 2.84 -5.677059515e+00 -5.677059515e+00 2.86 -5.646572811e+00 -5.646572811e+00 2.88 -5.610375113e+00 -5.610375113e+00 2.90 -5.568601482e+00 -5.568601482e+00 2.92 -5.521406085e+00 -5.521406085e+00 2.94 -5.468963356e+00 -5.468963356e+00 2.96 -5.411468627e+00 -5.411468627e+00 2.98 -5.349137903e+00 -5.349137903e+00 3.00 -5.282511980e+00 -5.282511980e+00 3.02 -5.212261621e+00 -5.212261621e+00 3.04 -5.138397806e+00 -5.138397806e+00 3.06 -5.060922982e+00 -5.060922982e+00 3.08 -4.979864950e+00 -4.979864950e+00 3.10 -4.895284322e+00 -4.895284322e+00 3.12 -4.807269193e+00 -4.807269193e+00 3.14 -4.715934059e+00 -4.715934059e+00 3.16 -4.621423581e+00 -4.621423581e+00 3.18 -4.523927505e+00 -4.523927505e+00 3.20 -4.423687926e+00 -4.423687926e+00 3.22 -4.320998847e+00 -4.320998847e+00 3.24 -4.216213215e+00 -4.216213215e+00 3.26 -4.109745329e+00 -4.109745329e+00 3.28 -4.002066537e+00 -4.002066537e+00 3.30 -3.893693436e+00 -3.893693436e+00 3.32 -3.785169036e+00 -3.785169036e+00 3.34 -3.677038507e+00 -3.677038507e+00 3.36 -3.569822177e+00 -3.569822177e+00 3.38 -3.463988972e+00 -3.463988972e+00 3.40 -3.359933445e+00 -3.359933445e+00 3.42 -3.257958923e+00 -3.257958923e+00 3.44 -3.158268227e+00 -3.158268227e+00 3.46 -3.060962281e+00 -3.060962281e+00 3.48 -2.966045815e+00 -2.966045815e+00 3.50 -2.873438678e+00 -2.873438678e+00 3.52 -2.782990929e+00 -2.782990929e+00 3.54 -2.694499961e+00 -2.694499961e+00 3.56 -2.607728180e+00 -2.607728180e+00 3.58 -2.522420218e+00 -2.522420218e+00 3.60 -2.438319066e+00 -2.438319066e+00 3.62 -2.355180830e+00 -2.355180830e+00 3.64 -2.272788036e+00 -2.272788036e+00 3.66 -2.190961422e+00 -2.190961422e+00 3.68 -2.109570128e+00 -2.109570128e+00 3.70 -2.028540053e+00 -2.028540053e+00 3.72 -1.947859972e+00 -1.947859972e+00 3.74 -1.867584930e+00 -1.867584930e+00 3.76 -1.787836351e+00 -1.787836351e+00 3.78 -1.708798449e+00 -1.708798449e+00 3.80 -1.630710707e+00 -1.630710707e+00 3.82 -1.553856587e+00 -1.553856587e+00 3.84 -1.478549020e+00 -1.478549020e+00 3.86 -1.405113669e+00 -1.405113669e+00 3.88 -1.333871257e+00 -1.333871257e+00 3.90 -1.265120429e+00 -1.265120429e+00 3.92 -1.199122570e+00 -1.199122570e+00 3.94 -1.136089780e+00 -1.136089780e+00 3.96 -1.076176746e+00 -1.076176746e+00 3.98 -1.019476888e+00 -1.019476888e+00 4.00 -9.660225766e-01 -9.660225766e-01 4.02 -9.157889163e-01 -9.157889163e-01 4.04 -8.687002933e-01 -8.687002933e-01 4.06 -8.246388019e-01 -8.246388019e-01 4.08 -7.834536640e-01 -7.834536640e-01 4.10 -7.449708626e-01 -7.449708626e-01 4.12 -7.090024580e-01 -7.090024580e-01 4.14 -6.753549530e-01 -6.753549530e-01 4.16 -6.438366962e-01 -6.438366962e-01 4.18 -6.142639519e-01 -6.142639519e-01 4.20 -5.864656417e-01 -5.864656417e-01 4.22 -5.602867104e-01 -5.602867104e-01 4.24 -5.355901159e-01 -5.355901159e-01 4.26 -5.122574780e-01 -5.122574780e-01 4.28 -4.901884651e-01 -4.901884651e-01 4.30 -4.692990721e-01 -4.692990721e-01 4.32 -4.495190211e-01 -4.495190211e-01 4.34 -4.307885977e-01 -4.307885977e-01 4.36 -4.130552843e-01 -4.130552843e-01 4.38 -3.962705641e-01 -3.962705641e-01 4.40 -3.803871849e-01 -3.803871849e-01 4.42 -3.653571044e-01 -3.653571044e-01 4.44 -3.511302000e-01 -3.511302000e-01 4.46 -3.376537398e-01 -3.376537398e-01 4.48 -3.248724533e-01 -3.248724533e-01 4.50 -3.127289074e-01 -3.127289074e-01 4.52 -3.011644123e-01 -3.011644123e-01 4.54 -2.901203067e-01 -2.901203067e-01 4.56 -2.795383030e-01 -2.795383030e-01 4.58 -2.693612986e-01 -2.693612986e-01 4.60 -2.595340546e-01 -2.595340546e-01 4.62 -2.500037263e-01 -2.500037263e-01 4.64 -2.407202721e-01 -2.407202721e-01 4.66 -2.316366327e-01 -2.316366327e-01 4.68 -2.227094408e-01 -2.227094408e-01 4.70 -2.138991582e-01 -2.138991582e-01 4.72 -2.051703323e-01 -2.051703323e-01 4.74 -1.964920793e-01 -1.964920793e-01 4.76 -1.878386413e-01 -1.878386413e-01 4.78 -1.791900149e-01 -1.791900149e-01 4.80 -1.705326205e-01 -1.705326205e-01 4.82 -1.618599997e-01 -1.618599997e-01 4.84 -1.531733781e-01 -1.531733781e-01 4.86 -1.444821300e-01 -1.444821300e-01 4.88 -1.358039472e-01 -1.358039472e-01 4.90 -1.271646556e-01 -1.271646556e-01 4.92 -1.185975939e-01 -1.185975939e-01 4.94 -1.101425122e-01 -1.101425122e-01 4.96 -1.018440003e-01 -1.018440003e-01 4.98 -9.374951720e-02 -9.374951720e-02 5.00 -8.590715116e-02 -8.590715116e-02 5.02 -7.836328569e-02 -7.836328569e-02 5.04 -7.116036863e-02 -7.116036863e-02 5.06 -6.433497370e-02 -6.433497370e-02 5.08 -5.791630816e-02 -5.791630816e-02 5.10 -5.192526375e-02 -5.192526375e-02 5.12 -4.637404328e-02 -4.637404328e-02 5.14 -4.126631478e-02 -4.126631478e-02 5.16 -3.659784270e-02 -3.659784270e-02 5.18 -3.235745512e-02 -3.235745512e-02 5.20 -2.852823384e-02 -2.852823384e-02 5.22 -2.508878623e-02 -2.508878623e-02 5.24 -2.201450390e-02 -2.201450390e-02 5.26 -1.927874606e-02 -1.927874606e-02 5.28 -1.685381012e-02 -1.685381012e-02 5.30 -1.471157409e-02 -1.471157409e-02 5.32 -1.282512157e-02 -1.282512157e-02 5.34 -1.116861211e-02 -1.116861211e-02 5.36 -9.717571012e-03 -9.717571012e-03 5.38 -8.449171938e-03 -8.449171938e-03 5.40 -7.342394591e-03 -7.342394591e-03 5.42 -6.378085110e-03 -6.378085110e-03 5.44 -5.538943895e-03 -5.538943895e-03 5.46 -4.809461749e-03 -4.809461749e-03 5.48 -4.175821414e-03 -4.175821414e-03 5.50 -3.625777945e-03 -3.625777945e-03 5.52 -3.148528181e-03 -3.148528181e-03 5.54 -2.734576867e-03 -2.734576867e-03 5.56 -2.375604792e-03 -2.375604792e-03 5.58 -2.064342558e-03 -2.064342558e-03 5.60 -1.794452262e-03 -1.794452262e-03 5.62 -1.560418376e-03 -1.560418376e-03 5.64 -1.357448383e-03 -1.357448383e-03 5.66 -1.181383193e-03 -1.181383193e-03 5.68 -1.028617048e-03 -1.028617048e-03 5.70 -8.960263907e-04 -8.960263907e-04 5.72 -7.809070294e-04 -7.809070294e-04 5.74 -6.809188915e-04 -6.809188915e-04 5.76 -5.940376291e-04 -5.940376291e-04 5.78 -5.185123597e-04 -5.185123597e-04 5.80 -4.528288592e-04 -4.528288592e-04 5.82 -3.956775715e-04 -3.956775715e-04 5.84 -3.459258543e-04 -3.459258543e-04 5.86 -3.025939335e-04 -3.025939335e-04 5.88 -2.648340956e-04 -2.648340956e-04 5.90 -2.319126974e-04 -2.319126974e-04 5.92 -2.031946248e-04 -2.031946248e-04 5.94 -1.781298723e-04 -1.781298723e-04 5.96 -1.562419596e-04 -1.562419596e-04 5.98 -1.371179372e-04 -1.371179372e-04 6.00 -1.203997628e-04 -1.203997628e-04