# 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 = Cu2MgTa # 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 2.383709032e+02 2.383709032e+02 1.30 2.200581407e+02 2.200581407e+02 1.32 2.031456708e+02 2.031456708e+02 1.34 1.875193192e+02 1.875193192e+02 1.36 1.730778324e+02 1.730778324e+02 1.38 1.597304340e+02 1.597304340e+02 1.40 1.473945069e+02 1.473945069e+02 1.42 1.359939597e+02 1.359939597e+02 1.44 1.254577461e+02 1.254577461e+02 1.46 1.157183851e+02 1.157183851e+02 1.48 1.067109813e+02 1.067109813e+02 1.50 9.837327961e+01 9.837327961e+01 1.52 9.064673494e+01 9.064673494e+01 1.54 8.347790415e+01 8.347790415e+01 1.56 7.681935710e+01 7.681935710e+01 1.58 7.062983549e+01 7.062983549e+01 1.60 6.487385287e+01 6.487385287e+01 1.62 5.952096238e+01 5.952096238e+01 1.64 5.454608621e+01 5.454608621e+01 1.66 4.993024577e+01 4.993024577e+01 1.68 4.565189683e+01 4.565189683e+01 1.70 4.169026132e+01 4.169026132e+01 1.72 3.802514181e+01 3.802514181e+01 1.74 3.463681725e+01 3.463681725e+01 1.76 3.150626104e+01 3.150626104e+01 1.78 2.861527402e+01 2.861527402e+01 1.80 2.594661198e+01 2.594661198e+01 1.82 2.348412401e+01 2.348412401e+01 1.84 2.121277193e+01 2.121277193e+01 1.86 1.911854907e+01 1.911854907e+01 1.88 1.718833824e+01 1.718833824e+01 1.90 1.540976903e+01 1.540976903e+01 1.92 1.377111270e+01 1.377111270e+01 1.94 1.226124078e+01 1.226124078e+01 1.96 1.086964546e+01 1.086964546e+01 1.98 9.586507988e+00 9.586507988e+00 2.00 8.402784659e+00 8.402784659e+00 2.02 7.310282919e+00 7.310282919e+00 2.04 6.301707408e+00 6.301707408e+00 2.06 5.370657539e+00 5.370657539e+00 2.08 4.511566603e+00 4.511566603e+00 2.10 3.719589662e+00 3.719589662e+00 2.12 2.990463722e+00 2.990463722e+00 2.14 2.320366137e+00 2.320366137e+00 2.16 1.705791435e+00 1.705791435e+00 2.18 1.143451943e+00 1.143451943e+00 2.20 6.302033107e-01 6.302033107e-01 2.22 1.629893569e-01 1.629893569e-01 2.24 -2.611966633e-01 -2.611966633e-01 2.26 -6.453413939e-01 -6.453413939e-01 2.28 -9.923493747e-01 -9.923493747e-01 2.30 -1.305190616e+00 -1.305190616e+00 2.32 -1.587163142e+00 -1.587163142e+00 2.34 -1.841506530e+00 -1.841506530e+00 2.36 -2.071297447e+00 -2.071297447e+00 2.38 -2.279332282e+00 -2.279332282e+00 2.40 -2.467697284e+00 -2.467697284e+00 2.42 -2.637818050e+00 -2.637818050e+00 2.44 -2.791025192e+00 -2.791025192e+00 2.46 -2.928557279e+00 -2.928557279e+00 2.48 -3.051542016e+00 -3.051542016e+00 2.50 -3.160993706e+00 -3.160993706e+00 2.52 -3.257821974e+00 -3.257821974e+00 2.54 -3.342846950e+00 -3.342846950e+00 2.56 -3.416817160e+00 -3.416817160e+00 2.58 -3.480427621e+00 -3.480427621e+00 2.60 -3.534336760e+00 -3.534336760e+00 2.62 -3.579181179e+00 -3.579181179e+00 2.64 -3.615588409e+00 -3.615588409e+00 2.66 -3.644184360e+00 -3.644184360e+00 2.68 -3.665597396e+00 -3.665597396e+00 2.70 -3.680455166e+00 -3.680455166e+00 2.72 -3.689374866e+00 -3.689374866e+00 2.74 -3.693202243e+00 -3.693202243e+00 2.76 -3.692591097e+00 -3.692591097e+00 2.78 -3.687647366e+00 -3.687647366e+00 2.80 -3.678491023e+00 -3.678491023e+00 2.82 -3.665249642e+00 -3.665249642e+00 2.84 -3.648055262e+00 -3.648055262e+00 2.86 -3.627045248e+00 -3.627045248e+00 2.88 -3.602365618e+00 -3.602365618e+00 2.90 -3.574174596e+00 -3.574174596e+00 2.92 -3.542663751e+00 -3.542663751e+00 2.94 -3.508063536e+00 -3.508063536e+00 2.96 -3.470609615e+00 -3.470609615e+00 2.98 -3.430537718e+00 -3.430537718e+00 3.00 -3.388080571e+00 -3.388080571e+00 3.02 -3.343464175e+00 -3.343464175e+00 3.04 -3.296903812e+00 -3.296903812e+00 3.06 -3.248602001e+00 -3.248602001e+00 3.08 -3.198744113e+00 -3.198744113e+00 3.10 -3.147498239e+00 -3.147498239e+00 3.12 -3.095014119e+00 -3.095014119e+00 3.14 -3.041424161e+00 -3.041424161e+00 3.16 -2.986843630e+00 -2.986843630e+00 3.18 -2.931373373e+00 -2.931373373e+00 3.20 -2.875102285e+00 -2.875102285e+00 3.22 -2.818133522e+00 -2.818133522e+00 3.24 -2.760537339e+00 -2.760537339e+00 3.26 -2.702331992e+00 -2.702331992e+00 3.28 -2.643548101e+00 -2.643548101e+00 3.30 -2.584232042e+00 -2.584232042e+00 3.32 -2.524436385e+00 -2.524436385e+00 3.34 -2.464128744e+00 -2.464128744e+00 3.36 -2.403265194e+00 -2.403265194e+00 3.38 -2.341858775e+00 -2.341858775e+00 3.40 -2.279970123e+00 -2.279970123e+00 3.42 -2.217694512e+00 -2.217694512e+00 3.44 -2.155147271e+00 -2.155147271e+00 3.46 -2.092450264e+00 -2.092450264e+00 3.48 -2.029720203e+00 -2.029720203e+00 3.50 -1.967060059e+00 -1.967060059e+00 3.52 -1.904553886e+00 -1.904553886e+00 3.54 -1.842264984e+00 -1.842264984e+00 3.56 -1.780236945e+00 -1.780236945e+00 3.58 -1.718497003e+00 -1.718497003e+00 3.60 -1.657061037e+00 -1.657061037e+00 3.62 -1.595939647e+00 -1.595939647e+00 3.64 -1.535144783e+00 -1.535144783e+00 3.66 -1.474696473e+00 -1.474696473e+00 3.68 -1.414629243e+00 -1.414629243e+00 3.70 -1.354997813e+00 -1.354997813e+00 3.72 -1.295881647e+00 -1.295881647e+00 3.74 -1.237387911e+00 -1.237387911e+00 3.76 -1.179652407e+00 -1.179652407e+00 3.78 -1.122838096e+00 -1.122838096e+00 3.80 -1.067131007e+00 -1.067131007e+00 3.82 -1.012733533e+00 -1.012733533e+00 3.84 -9.598554423e-01 -9.598554423e-01 3.86 -9.087032944e-01 -9.087032944e-01 3.88 -8.594692250e-01 -8.594692250e-01 3.90 -8.123202629e-01 -8.123202629e-01 3.92 -7.673891811e-01 -7.673891811e-01 3.94 -7.247686197e-01 -7.247686197e-01 3.96 -6.845068869e-01 -6.845068869e-01 3.98 -6.466084585e-01 -6.466084585e-01 4.00 -6.110365272e-01 -6.110365272e-01 4.02 -5.777179159e-01 -5.777179159e-01 4.04 -5.465493944e-01 -5.465493944e-01 4.06 -5.174046223e-01 -5.174046223e-01 4.08 -4.901410616e-01 -4.901410616e-01 4.10 -4.646061134e-01 -4.646061134e-01 4.12 -4.406438788e-01 -4.406438788e-01 4.14 -4.180980731e-01 -4.180980731e-01 4.16 -3.968171288e-01 -3.968171288e-01 4.18 -3.766568917e-01 -3.766568917e-01 4.20 -3.574830047e-01 -3.574830047e-01 4.22 -3.391727893e-01 -3.391727893e-01 4.24 -3.216167585e-01 -3.216167585e-01 4.26 -3.047198585e-01 -3.047198585e-01 4.28 -2.884024900e-01 -2.884024900e-01 4.30 -2.726013034e-01 -2.726013034e-01 4.32 -2.572697093e-01 -2.572697093e-01 4.34 -2.423779981e-01 -2.423779981e-01 4.36 -2.279129379e-01 -2.279129379e-01 4.38 -2.138767208e-01 -2.138767208e-01 4.40 -2.002851648e-01 -2.002851648e-01 4.42 -1.871651538e-01 -1.871651538e-01 4.44 -1.745513993e-01 -1.745513993e-01 4.46 -1.624827185e-01 -1.624827185e-01 4.48 -1.509981228e-01 -1.509981228e-01 4.50 -1.401330650e-01 -1.401330650e-01 4.52 -1.299161927e-01 -1.299161927e-01 4.54 -1.203668956e-01 -1.203668956e-01 4.56 -1.114938201e-01 -1.114938201e-01 4.58 -1.032943947e-01 -1.032943947e-01 4.60 -9.575528004e-02 -9.575528004e-02 4.62 -8.885356301e-02 -8.885356301e-02 4.64 -8.255844404e-02 -8.255844404e-02 4.66 -7.683317614e-02 -7.683317614e-02 4.68 -7.163706809e-02 -7.163706809e-02 4.70 -6.692733412e-02 -6.692733412e-02 4.72 -6.265982611e-02 -6.265982611e-02 4.74 -5.879218394e-02 -5.879218394e-02 4.76 -5.528451894e-02 -5.528451894e-02 4.78 -5.209899067e-02 -5.209899067e-02 4.80 -4.920021288e-02 -4.920021288e-02 4.82 -4.655644316e-02 -4.655644316e-02 4.84 -4.413834378e-02 -4.413834378e-02 4.86 -4.191989218e-02 -4.191989218e-02 4.88 -3.987798994e-02 -3.987798994e-02 4.90 -3.799225972e-02 -3.799225972e-02 4.92 -3.624480890e-02 -3.624480890e-02 4.94 -3.461994361e-02 -3.461994361e-02 4.96 -3.310397935e-02 -3.310397935e-02 4.98 -3.168502386e-02 -3.168502386e-02 5.00 -3.035271177e-02 -3.035271177e-02 5.02 -2.909800782e-02 -2.909800782e-02 5.04 -2.791303004e-02 -2.791303004e-02 5.06 -2.679089320e-02 -2.679089320e-02 5.08 -2.572557168e-02 -2.572557168e-02 5.10 -2.471178066e-02 -2.471178066e-02 5.12 -2.374487415e-02 -2.374487415e-02 5.14 -2.282075838e-02 -2.282075838e-02 5.16 -2.193581898e-02 -2.193581898e-02 5.18 -2.108686069e-02 -2.108686069e-02 5.20 -2.027105806e-02 -2.027105806e-02 5.22 -1.948591591e-02 -1.948591591e-02 5.24 -1.872923840e-02 -1.872923840e-02 5.26 -1.799910516e-02 -1.799910516e-02 5.28 -1.729385336e-02 -1.729385336e-02 5.30 -1.661206408e-02 -1.661206408e-02 5.32 -1.595255129e-02 -1.595255129e-02 5.34 -1.531435158e-02 -1.531435158e-02 5.36 -1.469669100e-02 -1.469669100e-02 5.38 -1.409900670e-02 -1.409900670e-02 5.40 -1.352093144e-02 -1.352093144e-02 5.42 -1.296225288e-02 -1.296225288e-02 5.44 -1.242288388e-02 -1.242288388e-02 5.46 -1.190282733e-02 -1.190282733e-02 5.48 -1.140213679e-02 -1.140213679e-02 5.50 -1.092087521e-02 -1.092087521e-02 5.52 -1.045907464e-02 -1.045907464e-02 5.54 -1.001670000e-02 -1.001670000e-02 5.56 -9.593619589e-03 -9.593619589e-03 5.58 -9.189584584e-03 -9.189584584e-03 5.60 -8.804218480e-03 -8.804218480e-03 5.62 -8.437016506e-03 -8.437016506e-03 5.64 -8.087353867e-03 -8.087353867e-03 5.66 -7.754501009e-03 -7.754501009e-03 5.68 -7.437643582e-03 -7.437643582e-03 5.70 -7.135904787e-03 -7.135904787e-03 5.72 -6.848367986e-03 -6.848367986e-03 5.74 -6.574097909e-03 -6.574097909e-03 5.76 -6.312159297e-03 -6.312159297e-03 5.78 -6.061632344e-03 -6.061632344e-03 5.80 -5.821624745e-03 -5.821624745e-03 5.82 -5.591280496e-03 -5.591280496e-03 5.84 -5.369785820e-03 -5.369785820e-03 5.86 -5.156372737e-03 -5.156372737e-03 5.88 -4.950320815e-03 -4.950320815e-03 5.90 -4.750957675e-03 -4.750957675e-03 5.92 -4.557658736e-03 -4.557658736e-03 5.94 -4.369846648e-03 -4.369846648e-03 5.96 -4.186990770e-03 -4.186990770e-03 5.98 -4.008606975e-03 -4.008606975e-03 6.00 -3.834257989e-03 -3.834257989e-03