# 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 = AlPdZr2 # 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 3.113974122e+02 3.113974122e+02 1.30 2.903783554e+02 2.903783554e+02 1.32 2.708356168e+02 2.708356168e+02 1.34 2.526556301e+02 2.526556301e+02 1.36 2.357328153e+02 2.357328153e+02 1.38 2.199695601e+02 2.199695601e+02 1.40 2.052765861e+02 2.052765861e+02 1.42 1.915730978e+02 1.915730978e+02 1.44 1.787864153e+02 1.787864153e+02 1.46 1.668506080e+02 1.668506080e+02 1.48 1.557047655e+02 1.557047655e+02 1.50 1.452922323e+02 1.452922323e+02 1.52 1.355609039e+02 1.355609039e+02 1.54 1.264632944e+02 1.264632944e+02 1.56 1.179559815e+02 1.179559815e+02 1.58 1.099986085e+02 1.099986085e+02 1.60 1.025531706e+02 1.025531706e+02 1.62 9.558374351e+01 9.558374351e+01 1.64 8.905666976e+01 8.905666976e+01 1.66 8.294074500e+01 8.294074500e+01 1.68 7.720731469e+01 7.720731469e+01 1.70 7.183020780e+01 7.183020780e+01 1.72 6.678543436e+01 6.678543436e+01 1.74 6.205078345e+01 6.205078345e+01 1.76 5.760551606e+01 5.760551606e+01 1.78 5.343026513e+01 5.343026513e+01 1.80 4.950706392e+01 4.950706392e+01 1.82 4.581932559e+01 4.581932559e+01 1.84 4.235181047e+01 4.235181047e+01 1.86 3.909059731e+01 3.909059731e+01 1.88 3.602298278e+01 3.602298278e+01 1.90 3.313790462e+01 3.313790462e+01 1.92 3.042527496e+01 3.042527496e+01 1.94 2.787511487e+01 2.787511487e+01 1.96 2.547930926e+01 2.547930926e+01 1.98 2.323900815e+01 2.323900815e+01 2.00 2.114784290e+01 2.114784290e+01 2.02 1.919650450e+01 1.919650450e+01 2.04 1.737615997e+01 1.737615997e+01 2.06 1.567854407e+01 1.567854407e+01 2.08 1.409591184e+01 1.409591184e+01 2.10 1.262098477e+01 1.262098477e+01 2.12 1.124686471e+01 1.124686471e+01 2.14 9.966989063e+00 9.966989063e+00 2.16 8.775110813e+00 8.775110813e+00 2.18 7.665298622e+00 7.665298622e+00 2.20 6.631969503e+00 6.631969503e+00 2.22 5.669898871e+00 5.669898871e+00 2.24 4.774236509e+00 4.774236509e+00 2.26 3.940521212e+00 3.940521212e+00 2.28 3.164677057e+00 3.164677057e+00 2.30 2.443033439e+00 2.443033439e+00 2.32 1.772283905e+00 1.772283905e+00 2.34 1.149442458e+00 1.149442458e+00 2.36 5.717802179e-01 5.717802179e-01 2.38 3.676043076e-02 3.676043076e-02 2.40 -4.580181266e-01 -4.580181266e-01 2.42 -9.148726165e-01 -9.148726165e-01 2.44 -1.336058953e+00 -1.336058953e+00 2.46 -1.723792752e+00 -1.723792752e+00 2.48 -2.080245103e+00 -2.080245103e+00 2.50 -2.407527503e+00 -2.407527503e+00 2.52 -2.707672045e+00 -2.707672045e+00 2.54 -2.982614200e+00 -2.982614200e+00 2.56 -3.234181701e+00 -3.234181701e+00 2.58 -3.464089070e+00 -3.464089070e+00 2.60 -3.673935242e+00 -3.673935242e+00 2.62 -3.865199896e+00 -3.865199896e+00 2.64 -4.039247305e+00 -4.039247305e+00 2.66 -4.197312575e+00 -4.197312575e+00 2.68 -4.340510202e+00 -4.340510202e+00 2.70 -4.469863774e+00 -4.469863774e+00 2.72 -4.586369585e+00 -4.586369585e+00 2.74 -4.690737322e+00 -4.690737322e+00 2.76 -4.783605697e+00 -4.783605697e+00 2.78 -4.865578755e+00 -4.865578755e+00 2.80 -4.937240196e+00 -4.937240196e+00 2.82 -4.999137175e+00 -4.999137175e+00 2.84 -5.051796505e+00 -5.051796505e+00 2.86 -5.095725052e+00 -5.095725052e+00 2.88 -5.131380631e+00 -5.131380631e+00 2.90 -5.159035756e+00 -5.159035756e+00 2.92 -5.178940534e+00 -5.178940534e+00 2.94 -5.191387887e+00 -5.191387887e+00 2.96 -5.196704469e+00 -5.196704469e+00 2.98 -5.195241820e+00 -5.195241820e+00 3.00 -5.187368382e+00 -5.187368382e+00 3.02 -5.173462669e+00 -5.173462669e+00 3.04 -5.153903581e+00 -5.153903581e+00 3.06 -5.129082468e+00 -5.129082468e+00 3.08 -5.099372105e+00 -5.099372105e+00 3.10 -5.065142366e+00 -5.065142366e+00 3.12 -5.026754236e+00 -5.026754236e+00 3.14 -4.984983392e+00 -4.984983392e+00 3.16 -4.940611239e+00 -4.940611239e+00 3.18 -4.893659781e+00 -4.893659781e+00 3.20 -4.844164708e+00 -4.844164708e+00 3.22 -4.792197907e+00 -4.792197907e+00 3.24 -4.737861774e+00 -4.737861774e+00 3.26 -4.681285475e+00 -4.681285475e+00 3.28 -4.622622523e+00 -4.622622523e+00 3.30 -4.562048121e+00 -4.562048121e+00 3.32 -4.499755892e+00 -4.499755892e+00 3.34 -4.435969756e+00 -4.435969756e+00 3.36 -4.370932693e+00 -4.370932693e+00 3.38 -4.304871543e+00 -4.304871543e+00 3.40 -4.237987509e+00 -4.237987509e+00 3.42 -4.170459958e+00 -4.170459958e+00 3.44 -4.102436145e+00 -4.102436145e+00 3.46 -4.034042097e+00 -4.034042097e+00 3.48 -3.965385031e+00 -3.965385031e+00 3.50 -3.896557852e+00 -3.896557852e+00 3.52 -3.827642819e+00 -3.827642819e+00 3.54 -3.758714052e+00 -3.758714052e+00 3.56 -3.689838889e+00 -3.689838889e+00 3.58 -3.621078362e+00 -3.621078362e+00 3.60 -3.552487100e+00 -3.552487100e+00 3.62 -3.484112991e+00 -3.484112991e+00 3.64 -3.415996889e+00 -3.415996889e+00 3.66 -3.348172582e+00 -3.348172582e+00 3.68 -3.280667226e+00 -3.280667226e+00 3.70 -3.213502371e+00 -3.213502371e+00 3.72 -3.146695646e+00 -3.146695646e+00 3.74 -3.080263106e+00 -3.080263106e+00 3.76 -3.014222107e+00 -3.014222107e+00 3.78 -2.948594457e+00 -2.948594457e+00 3.80 -2.883409394e+00 -2.883409394e+00 3.82 -2.818705877e+00 -2.818705877e+00 3.84 -2.754533592e+00 -2.754533592e+00 3.86 -2.690952217e+00 -2.690952217e+00 3.88 -2.628028798e+00 -2.628028798e+00 3.90 -2.565833457e+00 -2.565833457e+00 3.92 -2.504430875e+00 -2.504430875e+00 3.94 -2.443888905e+00 -2.443888905e+00 3.96 -2.384252584e+00 -2.384252584e+00 3.98 -2.325557157e+00 -2.325557157e+00 4.00 -2.267823642e+00 -2.267823642e+00 4.02 -2.211060346e+00 -2.211060346e+00 4.04 -2.155265665e+00 -2.155265665e+00 4.06 -2.100431477e+00 -2.100431477e+00 4.08 -2.046546479e+00 -2.046546479e+00 4.10 -1.993591967e+00 -1.993591967e+00 4.12 -1.941573489e+00 -1.941573489e+00 4.14 -1.890475514e+00 -1.890475514e+00 4.16 -1.840294826e+00 -1.840294826e+00 4.18 -1.791031877e+00 -1.791031877e+00 4.20 -1.742690489e+00 -1.742690489e+00 4.22 -1.695277378e+00 -1.695277378e+00 4.24 -1.648801562e+00 -1.648801562e+00 4.26 -1.603273704e+00 -1.603273704e+00 4.28 -1.558705366e+00 -1.558705366e+00 4.30 -1.515108147e+00 -1.515108147e+00 4.32 -1.472492669e+00 -1.472492669e+00 4.34 -1.430867451e+00 -1.430867451e+00 4.36 -1.390237720e+00 -1.390237720e+00 4.38 -1.350604284e+00 -1.350604284e+00 4.40 -1.311962588e+00 -1.311962588e+00 4.42 -1.274302073e+00 -1.274302073e+00 4.44 -1.237605921e+00 -1.237605921e+00 4.46 -1.201851199e+00 -1.201851199e+00 4.48 -1.167009398e+00 -1.167009398e+00 4.50 -1.133047271e+00 -1.133047271e+00 4.52 -1.099927908e+00 -1.099927908e+00 4.54 -1.067611924e+00 -1.067611924e+00 4.56 -1.036058692e+00 -1.036058692e+00 4.58 -1.005227546e+00 -1.005227546e+00 4.60 -9.750789007e-01 -9.750789007e-01 4.62 -9.455752563e-01 -9.455752563e-01 4.64 -9.166820598e-01 -9.166820598e-01 4.66 -8.883684104e-01 -8.883684104e-01 4.68 -8.606075934e-01 -8.606075934e-01 4.70 -8.333774323e-01 -8.333774323e-01 4.72 -8.066604580e-01 -8.066604580e-01 4.74 -7.804439028e-01 -7.804439028e-01 4.76 -7.547195382e-01 -7.547195382e-01 4.78 -7.294833929e-01 -7.294833929e-01 4.80 -7.047293552e-01 -7.047293552e-01 4.82 -6.804739504e-01 -6.804739504e-01 4.84 -6.567165147e-01 -6.567165147e-01 4.86 -6.334664299e-01 -6.334664299e-01 4.88 -6.107355460e-01 -6.107355460e-01 4.90 -5.885378737e-01 -5.885378737e-01 4.92 -5.668892317e-01 -5.668892317e-01 4.94 -5.458067953e-01 -5.458067953e-01 4.96 -5.253084962e-01 -5.253084962e-01 4.98 -5.054122527e-01 -5.054122527e-01 5.00 -4.861350418e-01 -4.861350418e-01 5.02 -4.674918632e-01 -4.674918632e-01 5.04 -4.494946781e-01 -4.494946781e-01 5.06 -4.321514223e-01 -4.321514223e-01 5.08 -4.154651961e-01 -4.154651961e-01 5.10 -3.994337142e-01 -3.994337142e-01 5.12 -3.840490693e-01 -3.840490693e-01 5.14 -3.692978270e-01 -3.692978270e-01 5.16 -3.551614336e-01 -3.551614336e-01 5.18 -3.416168884e-01 -3.416168884e-01 5.20 -3.286376164e-01 -3.286376164e-01 5.22 -3.161944665e-01 -3.161944665e-01 5.24 -3.042567666e-01 -3.042567666e-01 5.26 -2.927933723e-01 -2.927933723e-01 5.28 -2.817736593e-01 -2.817736593e-01 5.30 -2.711684216e-01 -2.711684216e-01 5.32 -2.609506450e-01 -2.609506450e-01 5.34 -2.510961355e-01 -2.510961355e-01 5.36 -2.415839836e-01 -2.415839836e-01 5.38 -2.323968504e-01 -2.323968504e-01 5.40 -2.235210626e-01 -2.235210626e-01 5.42 -2.149465112e-01 -2.149465112e-01 5.44 -2.066663557e-01 -2.066663557e-01 5.46 -1.986765469e-01 -1.986765469e-01 5.48 -1.909751990e-01 -1.909751990e-01 5.50 -1.835618544e-01 -1.835618544e-01 5.52 -1.764366950e-01 -1.764366950e-01 5.54 -1.695997707e-01 -1.695997707e-01 5.56 -1.630503012e-01 -1.630503012e-01 5.58 -1.567861089e-01 -1.567861089e-01 5.60 -1.508032175e-01 -1.508032175e-01 5.62 -1.450953403e-01 -1.450953403e-01 5.64 -1.396543919e-01 -1.396543919e-01 5.66 -1.344706354e-01 -1.344706354e-01 5.68 -1.295325452e-01 -1.295325452e-01 5.70 -1.248271532e-01 -1.248271532e-01 5.72 -1.203404307e-01 -1.203404307e-01 5.74 -1.160576697e-01 -1.160576697e-01 5.76 -1.119638347e-01 -1.119638347e-01 5.78 -1.080438695e-01 -1.080438695e-01 5.80 -1.042829477e-01 -1.042829477e-01 5.82 -1.006666660e-01 -1.006666660e-01 5.84 -9.718118452e-02 -9.718118452e-02 5.86 -9.381332014e-02 -9.381332014e-02 5.88 -9.055060274e-02 -9.055060274e-02 5.90 -8.738130390e-02 -8.738130390e-02 5.92 -8.429444724e-02 -8.429444724e-02 5.94 -8.127980937e-02 -8.127980937e-02 5.96 -7.832791862e-02 -7.832791862e-02 5.98 -7.543005801e-02 -7.543005801e-02 6.00 -7.257827727e-02 -7.257827727e-02