# 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 = MgW2Zr # 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 5.111032217e+02 5.111032217e+02 1.30 4.733967654e+02 4.733967654e+02 1.32 4.385459447e+02 4.385459447e+02 1.34 4.063117661e+02 4.063117661e+02 1.36 3.764733079e+02 3.764733079e+02 1.38 3.488282509e+02 3.488282509e+02 1.40 3.231940020e+02 3.231940020e+02 1.42 2.994073605e+02 2.994073605e+02 1.44 2.773227623e+02 2.773227623e+02 1.46 2.568101333e+02 2.568101333e+02 1.48 2.377528591e+02 2.377528591e+02 1.50 2.200457410e+02 2.200457410e+02 1.52 2.035931406e+02 2.035931406e+02 1.54 1.883076065e+02 1.883076065e+02 1.56 1.741091019e+02 1.741091019e+02 1.58 1.609244563e+02 1.609244563e+02 1.60 1.486864861e+02 1.486864861e+02 1.62 1.373326747e+02 1.373326747e+02 1.64 1.268038317e+02 1.268038317e+02 1.66 1.170431787e+02 1.170431787e+02 1.68 1.079960212e+02 1.079960212e+02 1.70 9.960997595e+01 9.960997595e+01 1.72 9.183533610e+01 9.183533610e+01 1.74 8.462540368e+01 8.462540368e+01 1.76 7.793665264e+01 7.793665264e+01 1.78 7.172877125e+01 7.172877125e+01 1.80 6.596458111e+01 6.596458111e+01 1.82 6.060994242e+01 6.060994242e+01 1.84 5.563361867e+01 5.563361867e+01 1.86 5.100728075e+01 5.100728075e+01 1.88 4.670550995e+01 4.670550995e+01 1.90 4.270568497e+01 4.270568497e+01 1.92 3.898767357e+01 3.898767357e+01 1.94 3.553424642e+01 3.553424642e+01 1.96 3.232949507e+01 3.232949507e+01 1.98 2.935767767e+01 2.935767767e+01 2.00 2.660368241e+01 2.660368241e+01 2.02 2.405291281e+01 2.405291281e+01 2.04 2.169141401e+01 2.169141401e+01 2.06 1.950567666e+01 1.950567666e+01 2.08 1.748259261e+01 1.748259261e+01 2.10 1.560949547e+01 1.560949547e+01 2.12 1.387427626e+01 1.387427626e+01 2.14 1.226555529e+01 1.226555529e+01 2.16 1.077287618e+01 1.077287618e+01 2.18 9.386836465e+00 9.386836465e+00 2.20 8.099127151e+00 8.099127151e+00 2.22 6.902459782e+00 6.902459782e+00 2.24 5.790436905e+00 5.790436905e+00 2.26 4.757405373e+00 4.757405373e+00 2.28 3.798305400e+00 3.798305400e+00 2.30 2.908575778e+00 2.908575778e+00 2.32 2.084023452e+00 2.084023452e+00 2.34 1.320769227e+00 1.320769227e+00 2.36 6.151608016e-01 6.151608016e-01 2.38 -3.627348894e-02 -3.627348894e-02 2.40 -6.368599656e-01 -6.368599656e-01 2.42 -1.189804317e+00 -1.189804317e+00 2.44 -1.698194977e+00 -1.698194977e+00 2.46 -2.165000662e+00 -2.165000662e+00 2.48 -2.593050834e+00 -2.593050834e+00 2.50 -2.985009413e+00 -2.985009413e+00 2.52 -3.343348243e+00 -3.343348243e+00 2.54 -3.670327310e+00 -3.670327310e+00 2.56 -3.967986421e+00 -3.967986421e+00 2.58 -4.238150792e+00 -4.238150792e+00 2.60 -4.482448432e+00 -4.482448432e+00 2.62 -4.702206990e+00 -4.702206990e+00 2.64 -4.898802646e+00 -4.898802646e+00 2.66 -5.073617472e+00 -5.073617472e+00 2.68 -5.227955591e+00 -5.227955591e+00 2.70 -5.363065799e+00 -5.363065799e+00 2.72 -5.480159243e+00 -5.480159243e+00 2.74 -5.580419046e+00 -5.580419046e+00 2.76 -5.665029748e+00 -5.665029748e+00 2.78 -5.735062736e+00 -5.735062736e+00 2.80 -5.791000563e+00 -5.791000563e+00 2.82 -5.833218913e+00 -5.833218913e+00 2.84 -5.862158961e+00 -5.862158961e+00 2.86 -5.878315991e+00 -5.878315991e+00 2.88 -5.882236719e+00 -5.882236719e+00 2.90 -5.874521383e+00 -5.874521383e+00 2.92 -5.855819342e+00 -5.855819342e+00 2.94 -5.826734906e+00 -5.826734906e+00 2.96 -5.787883787e+00 -5.787883787e+00 2.98 -5.739965674e+00 -5.739965674e+00 3.00 -5.683746402e+00 -5.683746402e+00 3.02 -5.620031833e+00 -5.620031833e+00 3.04 -5.549634965e+00 -5.549634965e+00 3.06 -5.473352281e+00 -5.473352281e+00 3.08 -5.391919610e+00 -5.391919610e+00 3.10 -5.305998015e+00 -5.305998015e+00 3.12 -5.216151710e+00 -5.216151710e+00 3.14 -5.122856919e+00 -5.122856919e+00 3.16 -5.026480791e+00 -5.026480791e+00 3.18 -4.927309302e+00 -4.927309302e+00 3.20 -4.825559326e+00 -4.825559326e+00 3.22 -4.721399272e+00 -4.721399272e+00 3.24 -4.614971549e+00 -4.614971549e+00 3.26 -4.506414634e+00 -4.506414634e+00 3.28 -4.395882343e+00 -4.395882343e+00 3.30 -4.283558271e+00 -4.283558271e+00 3.32 -4.169664252e+00 -4.169664252e+00 3.34 -4.054463180e+00 -4.054463180e+00 3.36 -3.938257894e+00 -3.938257894e+00 3.38 -3.821388405e+00 -3.821388405e+00 3.40 -3.704228177e+00 -3.704228177e+00 3.42 -3.587185859e+00 -3.587185859e+00 3.44 -3.470695616e+00 -3.470695616e+00 3.46 -3.355216155e+00 -3.355216155e+00 3.48 -3.241220067e+00 -3.241220067e+00 3.50 -3.129193093e+00 -3.129193093e+00 3.52 -3.019616988e+00 -3.019616988e+00 3.54 -2.912823441e+00 -2.912823441e+00 3.56 -2.809115245e+00 -2.809115245e+00 3.58 -2.708763716e+00 -2.708763716e+00 3.60 -2.611927950e+00 -2.611927950e+00 3.62 -2.518594071e+00 -2.518594071e+00 3.64 -2.428748206e+00 -2.428748206e+00 3.66 -2.342381003e+00 -2.342381003e+00 3.68 -2.259470149e+00 -2.259470149e+00 3.70 -2.179970466e+00 -2.179970466e+00 3.72 -2.103810520e+00 -2.103810520e+00 3.74 -2.030894227e+00 -2.030894227e+00 3.76 -1.961105782e+00 -1.961105782e+00 3.78 -1.894316361e+00 -1.894316361e+00 3.80 -1.830391208e+00 -1.830391208e+00 3.82 -1.769195987e+00 -1.769195987e+00 3.84 -1.710601596e+00 -1.710601596e+00 3.86 -1.654486946e+00 -1.654486946e+00 3.88 -1.600739612e+00 -1.600739612e+00 3.90 -1.549254648e+00 -1.549254648e+00 3.92 -1.499930707e+00 -1.499930707e+00 3.94 -1.452673479e+00 -1.452673479e+00 3.96 -1.407383480e+00 -1.407383480e+00 3.98 -1.363961515e+00 -1.363961515e+00 4.00 -1.322306593e+00 -1.322306593e+00 4.02 -1.282316737e+00 -1.282316737e+00 4.04 -1.243890529e+00 -1.243890529e+00 4.06 -1.206928965e+00 -1.206928965e+00 4.08 -1.171337235e+00 -1.171337235e+00 4.10 -1.137020145e+00 -1.137020145e+00 4.12 -1.103908421e+00 -1.103908421e+00 4.14 -1.071919274e+00 -1.071919274e+00 4.16 -1.040984669e+00 -1.040984669e+00 4.18 -1.011043602e+00 -1.011043602e+00 4.20 -9.820416562e-01 -9.820416562e-01 4.22 -9.539304079e-01 -9.539304079e-01 4.24 -9.266667769e-01 -9.266667769e-01 4.26 -9.002123579e-01 -9.002123579e-01 4.28 -8.745327816e-01 -8.745327816e-01 4.30 -8.495971242e-01 -8.495971242e-01 4.32 -8.253773793e-01 -8.253773793e-01 4.34 -8.018479977e-01 -8.018479977e-01 4.36 -7.789854928e-01 -7.789854928e-01 4.38 -7.567681093e-01 -7.567681093e-01 4.40 -7.351755475e-01 -7.351755475e-01 4.42 -7.141887377e-01 -7.141887377e-01 4.44 -6.937896548e-01 -6.937896548e-01 4.46 -6.739611697e-01 -6.739611697e-01 4.48 -6.546869281e-01 -6.546869281e-01 4.50 -6.359512533e-01 -6.359512533e-01 4.52 -6.177390672e-01 -6.177390672e-01 4.54 -6.000358264e-01 -6.000358264e-01 4.56 -5.828274700e-01 -5.828274700e-01 4.58 -5.661003765e-01 -5.661003765e-01 4.60 -5.498413279e-01 -5.498413279e-01 4.62 -5.340374793e-01 -5.340374793e-01 4.64 -5.186763329e-01 -5.186763329e-01 4.66 -5.037457155e-01 -5.037457155e-01 4.68 -4.892337580e-01 -4.892337580e-01 4.70 -4.751288776e-01 -4.751288776e-01 4.72 -4.614197609e-01 -4.614197609e-01 4.74 -4.480953483e-01 -4.480953483e-01 4.76 -4.351448192e-01 -4.351448192e-01 4.78 -4.225575776e-01 -4.225575776e-01 4.80 -4.103198788e-01 -4.103198788e-01 4.82 -3.984288268e-01 -3.984288268e-01 4.84 -3.868703785e-01 -3.868703785e-01 4.86 -3.756346920e-01 -3.756346920e-01 4.88 -3.647121072e-01 -3.647121072e-01 4.90 -3.540931074e-01 -3.540931074e-01 4.92 -3.437683025e-01 -3.437683025e-01 4.94 -3.337284169e-01 -3.337284169e-01 4.96 -3.239642774e-01 -3.239642774e-01 4.98 -3.144668026e-01 -3.144668026e-01 5.00 -3.052269928e-01 -3.052269928e-01 5.02 -2.962359233e-01 -2.962359233e-01 5.04 -2.874847385e-01 -2.874847385e-01 5.06 -2.789646517e-01 -2.789646517e-01 5.08 -2.706669485e-01 -2.706669485e-01 5.10 -2.625829971e-01 -2.625829971e-01 5.12 -2.547042669e-01 -2.547042669e-01 5.14 -2.470223563e-01 -2.470223563e-01 5.16 -2.395290326e-01 -2.395290326e-01 5.18 -2.322162853e-01 -2.322162853e-01 5.20 -2.250763949e-01 -2.250763949e-01 5.22 -2.181020178e-01 -2.181020178e-01 5.24 -2.112862871e-01 -2.112862871e-01 5.26 -2.046229293e-01 -2.046229293e-01 5.28 -1.981063924e-01 -1.981063924e-01 5.30 -1.917319799e-01 -1.917319799e-01 5.32 -1.854959833e-01 -1.854959833e-01 5.34 -1.793957998e-01 -1.793957998e-01 5.36 -1.734300236e-01 -1.734300236e-01 5.38 -1.675984932e-01 -1.675984932e-01 5.40 -1.619022812e-01 -1.619022812e-01 5.42 -1.563436122e-01 -1.563436122e-01 5.44 -1.509257027e-01 -1.509257027e-01 5.46 -1.456525246e-01 -1.456525246e-01 5.48 -1.405284894e-01 -1.405284894e-01 5.50 -1.355580882e-01 -1.355580882e-01 5.52 -1.307455124e-01 -1.307455124e-01 5.54 -1.260942785e-01 -1.260942785e-01 5.56 -1.216068961e-01 -1.216068961e-01 5.58 -1.172846050e-01 -1.172846050e-01 5.60 -1.131267521e-01 -1.131267521e-01 5.62 -1.091313986e-01 -1.091313986e-01 5.64 -1.052957719e-01 -1.052957719e-01 5.66 -1.016155639e-01 -1.016155639e-01 5.68 -9.808513178e-02 -9.808513178e-02 5.70 -9.469774176e-02 -9.469774176e-02 5.72 -9.144582769e-02 -9.144582769e-02 5.74 -8.832124337e-02 -8.832124337e-02 5.76 -8.531549290e-02 -8.531549290e-02 5.78 -8.241992946e-02 -8.241992946e-02 5.80 -7.962591804e-02 -7.962591804e-02 5.82 -7.692496225e-02 -7.692496225e-02 5.84 -7.430879818e-02 -7.430879818e-02 5.86 -7.176946033e-02 -7.176946033e-02 5.88 -6.929932545e-02 -6.929932545e-02 5.90 -6.689114066e-02 -6.689114066e-02 5.92 -6.453804152e-02 -6.453804152e-02 5.94 -6.223356566e-02 -6.223356566e-02 5.96 -5.997166644e-02 -5.997166644e-02 5.98 -5.774673064e-02 -5.774673064e-02 6.00 -5.555360312e-02 -5.555360312e-02