# 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 = AlFe2Ti # 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 1.708982217e+02 1.708982217e+02 1.30 1.569842760e+02 1.569842760e+02 1.32 1.441782813e+02 1.441782813e+02 1.34 1.323820205e+02 1.323820205e+02 1.36 1.215090362e+02 1.215090362e+02 1.38 1.114840699e+02 1.114840699e+02 1.40 1.022406942e+02 1.022406942e+02 1.42 9.371855493e+01 9.371855493e+01 1.44 8.586158428e+01 8.586158428e+01 1.46 7.861754879e+01 7.861754879e+01 1.48 7.193846705e+01 7.193846705e+01 1.50 6.578107779e+01 6.578107779e+01 1.52 6.010658229e+01 6.010658229e+01 1.54 5.487956013e+01 5.487956013e+01 1.56 5.006675865e+01 5.006675865e+01 1.58 4.563641805e+01 4.563641805e+01 1.60 4.155816698e+01 4.155816698e+01 1.62 3.780318270e+01 3.780318270e+01 1.64 3.434437341e+01 3.434437341e+01 1.66 3.115650833e+01 3.115650833e+01 1.68 2.821633572e+01 2.821633572e+01 1.70 2.550285971e+01 2.550285971e+01 1.72 2.299792859e+01 2.299792859e+01 1.74 2.068711187e+01 2.068711187e+01 1.76 1.855591014e+01 1.855591014e+01 1.78 1.659114853e+01 1.659114853e+01 1.80 1.478084280e+01 1.478084280e+01 1.82 1.311398655e+01 1.311398655e+01 1.84 1.158043054e+01 1.158043054e+01 1.86 1.017077118e+01 1.017077118e+01 1.88 8.876201796e+00 8.876201796e+00 1.90 7.688335301e+00 7.688335301e+00 1.92 6.599039608e+00 6.599039608e+00 1.94 5.600343365e+00 5.600343365e+00 1.96 4.684453387e+00 4.684453387e+00 1.98 3.843878478e+00 3.843878478e+00 2.00 3.071602912e+00 3.071602912e+00 2.02 2.361242593e+00 2.361242593e+00 2.04 1.707142355e+00 1.707142355e+00 2.06 1.104402247e+00 1.104402247e+00 2.08 5.488396686e-01 5.488396686e-01 2.10 3.690301296e-02 3.690301296e-02 2.12 -4.344451328e-01 -4.344451328e-01 2.14 -8.678559919e-01 -8.678559919e-01 2.16 -1.265712398e+00 -1.265712398e+00 2.18 -1.630220259e+00 -1.630220259e+00 2.20 -1.963467927e+00 -1.963467927e+00 2.22 -2.267458611e+00 -2.267458611e+00 2.24 -2.544123937e+00 -2.544123937e+00 2.26 -2.795324931e+00 -2.795324931e+00 2.28 -3.022843301e+00 -3.022843301e+00 2.30 -3.228364472e+00 -3.228364472e+00 2.32 -3.413456746e+00 -3.413456746e+00 2.34 -3.579551372e+00 -3.579551372e+00 2.36 -3.727932400e+00 -3.727932400e+00 2.38 -3.859741312e+00 -3.859741312e+00 2.40 -3.975997803e+00 -3.975997803e+00 2.42 -4.077631754e+00 -4.077631754e+00 2.44 -4.165518267e+00 -4.165518267e+00 2.46 -4.240510894e+00 -4.240510894e+00 2.48 -4.303519722e+00 -4.303519722e+00 2.50 -4.355374144e+00 -4.355374144e+00 2.52 -4.396887292e+00 -4.396887292e+00 2.54 -4.428904710e+00 -4.428904710e+00 2.56 -4.452293228e+00 -4.452293228e+00 2.58 -4.467925561e+00 -4.467925561e+00 2.60 -4.476660060e+00 -4.476660060e+00 2.62 -4.479291146e+00 -4.479291146e+00 2.64 -4.476469203e+00 -4.476469203e+00 2.66 -4.469431365e+00 -4.469431365e+00 2.68 -4.458653758e+00 -4.458653758e+00 2.70 -4.444158849e+00 -4.444158849e+00 2.72 -4.425951497e+00 -4.425951497e+00 2.74 -4.404028827e+00 -4.404028827e+00 2.76 -4.378389706e+00 -4.378389706e+00 2.78 -4.349044811e+00 -4.349044811e+00 2.80 -4.316027067e+00 -4.316027067e+00 2.82 -4.279405258e+00 -4.279405258e+00 2.84 -4.239131016e+00 -4.239131016e+00 2.86 -4.195038388e+00 -4.195038388e+00 2.88 -4.147039754e+00 -4.147039754e+00 2.90 -4.095126781e+00 -4.095126781e+00 2.92 -4.039358908e+00 -4.039358908e+00 2.94 -3.979853241e+00 -3.979853241e+00 2.96 -3.916776777e+00 -3.916776777e+00 2.98 -3.850341388e+00 -3.850341388e+00 3.00 -3.780800824e+00 -3.780800824e+00 3.02 -3.708447682e+00 -3.708447682e+00 3.04 -3.633607694e+00 -3.633607694e+00 3.06 -3.556629822e+00 -3.556629822e+00 3.08 -3.477871745e+00 -3.477871745e+00 3.10 -3.397684316e+00 -3.397684316e+00 3.12 -3.316398060e+00 -3.316398060e+00 3.14 -3.234315756e+00 -3.234315756e+00 3.16 -3.151711917e+00 -3.151711917e+00 3.18 -3.068839315e+00 -3.068839315e+00 3.20 -2.985939223e+00 -2.985939223e+00 3.22 -2.903252288e+00 -2.903252288e+00 3.24 -2.821026929e+00 -2.821026929e+00 3.26 -2.739523128e+00 -2.739523128e+00 3.28 -2.659010762e+00 -2.659010762e+00 3.30 -2.579762836e+00 -2.579762836e+00 3.32 -2.502044985e+00 -2.502044985e+00 3.34 -2.426103211e+00 -2.426103211e+00 3.36 -2.352152020e+00 -2.352152020e+00 3.38 -2.280364883e+00 -2.280364883e+00 3.40 -2.210868389e+00 -2.210868389e+00 3.42 -2.143740790e+00 -2.143740790e+00 3.44 -2.079014522e+00 -2.079014522e+00 3.46 -2.016682282e+00 -2.016682282e+00 3.48 -1.956705122e+00 -1.956705122e+00 3.50 -1.899021287e+00 -1.899021287e+00 3.52 -1.843554432e+00 -1.843554432e+00 3.54 -1.790220194e+00 -1.790220194e+00 3.56 -1.738930564e+00 -1.738930564e+00 3.58 -1.689596065e+00 -1.689596065e+00 3.60 -1.642126247e+00 -1.642126247e+00 3.62 -1.596429327e+00 -1.596429327e+00 3.64 -1.552411804e+00 -1.552411804e+00 3.66 -1.509978620e+00 -1.509978620e+00 3.68 -1.469034088e+00 -1.469034088e+00 3.70 -1.429483410e+00 -1.429483410e+00 3.72 -1.391234472e+00 -1.391234472e+00 3.74 -1.354199523e+00 -1.354199523e+00 3.76 -1.318296499e+00 -1.318296499e+00 3.78 -1.283449842e+00 -1.283449842e+00 3.80 -1.249590824e+00 -1.249590824e+00 3.82 -1.216657444e+00 -1.216657444e+00 3.84 -1.184594003e+00 -1.184594003e+00 3.86 -1.153350478e+00 -1.153350478e+00 3.88 -1.122881778e+00 -1.122881778e+00 3.90 -1.093146977e+00 -1.093146977e+00 3.92 -1.064108533e+00 -1.064108533e+00 3.94 -1.035731725e+00 -1.035731725e+00 3.96 -1.007983885e+00 -1.007983885e+00 3.98 -9.808340462e-01 -9.808340462e-01 4.00 -9.542525765e-01 -9.542525765e-01 4.02 -9.282109692e-01 -9.282109692e-01 4.04 -9.026817933e-01 -9.026817933e-01 4.06 -8.776387991e-01 -8.776387991e-01 4.08 -8.530571853e-01 -8.530571853e-01 4.10 -8.289139471e-01 -8.289139471e-01 4.12 -8.051887935e-01 -8.051887935e-01 4.14 -7.818643230e-01 -7.818643230e-01 4.16 -7.589271900e-01 -7.589271900e-01 4.18 -7.363688167e-01 -7.363688167e-01 4.20 -7.141861327e-01 -7.141861327e-01 4.22 -6.923821314e-01 -6.923821314e-01 4.24 -6.709661205e-01 -6.709661205e-01 4.26 -6.499535513e-01 -6.499535513e-01 4.28 -6.293653429e-01 -6.293653429e-01 4.30 -6.092266688e-01 -6.092266688e-01 4.32 -5.895652540e-01 -5.895652540e-01 4.34 -5.704093051e-01 -5.704093051e-01 4.36 -5.517852711e-01 -5.517852711e-01 4.38 -5.337156690e-01 -5.337156690e-01 4.40 -5.162172086e-01 -5.162172086e-01 4.42 -4.992994054e-01 -4.992994054e-01 4.44 -4.829637940e-01 -4.829637940e-01 4.46 -4.672037642e-01 -4.672037642e-01 4.48 -4.520049573e-01 -4.520049573e-01 4.50 -4.373461009e-01 -4.373461009e-01 4.52 -4.232001309e-01 -4.232001309e-01 4.54 -4.095354481e-01 -4.095354481e-01 4.56 -3.963171795e-01 -3.963171795e-01 4.58 -3.835083566e-01 -3.835083566e-01 4.60 -3.710709518e-01 -3.710709518e-01 4.62 -3.589665903e-01 -3.589665903e-01 4.64 -3.471574989e-01 -3.471574989e-01 4.66 -3.356073830e-01 -3.356073830e-01 4.68 -3.242814738e-01 -3.242814738e-01 4.70 -3.131470385e-01 -3.131470385e-01 4.72 -3.021738667e-01 -3.021738667e-01 4.74 -2.913347580e-01 -2.913347580e-01 4.76 -2.806060370e-01 -2.806060370e-01 4.78 -2.699681073e-01 -2.699681073e-01 4.80 -2.594059885e-01 -2.594059885e-01 4.82 -2.489101086e-01 -2.489101086e-01 4.84 -2.384765536e-01 -2.384765536e-01 4.86 -2.281077543e-01 -2.281077543e-01 4.88 -2.178127395e-01 -2.178127395e-01 4.90 -2.076072147e-01 -2.076072147e-01 4.92 -1.975133382e-01 -1.975133382e-01 4.94 -1.875591435e-01 -1.875591435e-01 4.96 -1.777775808e-01 -1.777775808e-01 4.98 -1.682051992e-01 -1.682051992e-01 5.00 -1.588805246e-01 -1.588805246e-01 5.02 -1.498422349e-01 -1.498422349e-01 5.04 -1.411272702e-01 -1.411272702e-01 5.06 -1.327690297e-01 -1.327690297e-01 5.08 -1.247957443e-01 -1.247957443e-01 5.10 -1.172292506e-01 -1.172292506e-01 5.12 -1.100845582e-01 -1.100845582e-01 5.14 -1.033692912e-01 -1.033692912e-01 5.16 -9.708382640e-02 -9.708382640e-02 5.18 -9.122183804e-02 -9.122183804e-02 5.20 -8.577113173e-02 -8.577113173e-02 5.22 -8.071466122e-02 -8.071466122e-02 5.24 -7.603162316e-02 -7.603162316e-02 5.26 -7.169854074e-02 -7.169854074e-02 5.28 -6.769026798e-02 -6.769026798e-02 5.30 -6.398086979e-02 -6.398086979e-02 5.32 -6.054435466e-02 -6.054435466e-02 5.34 -5.735525438e-02 -5.735525438e-02 5.36 -5.438905851e-02 -5.438905851e-02 5.38 -5.162251975e-02 -5.162251975e-02 5.40 -4.903385080e-02 -4.903385080e-02 5.42 -4.660283484e-02 -4.660283484e-02 5.44 -4.431087103e-02 -4.431087103e-02 5.46 -4.214097445e-02 -4.214097445e-02 5.48 -4.007774741e-02 -4.007774741e-02 5.50 -3.810733563e-02 -3.810733563e-02 5.52 -3.621738033e-02 -3.621738033e-02 5.54 -3.439697384e-02 -3.439697384e-02 5.56 -3.263662409e-02 -3.263662409e-02 5.58 -3.092822978e-02 -3.092822978e-02 5.60 -2.926506526e-02 -2.926506526e-02 5.62 -2.764177444e-02 -2.764177444e-02 5.64 -2.605436653e-02 -2.605436653e-02 5.66 -2.450020665e-02 -2.450020665e-02 5.68 -2.297799240e-02 -2.297799240e-02 5.70 -2.148770689e-02 -2.148770689e-02 5.72 -2.003053895e-02 -2.003053895e-02 5.74 -1.860876339e-02 -1.860876339e-02 5.76 -1.722557706e-02 -1.722557706e-02 5.78 -1.588476553e-02 -1.588476553e-02 5.80 -1.459047872e-02 -1.459047872e-02 5.82 -1.334742434e-02 -1.334742434e-02 5.84 -1.216022493e-02 -1.216022493e-02 5.86 -1.103312985e-02 -1.103312985e-02 5.88 -9.969772868e-03 -9.969772868e-03 5.90 -8.972976716e-03 -8.972976716e-03 5.92 -8.044616830e-03 -8.044616830e-03 5.94 -7.185550654e-03 -7.185550654e-03 5.96 -6.395611828e-03 -6.395611828e-03 5.98 -5.673662658e-03 -5.673662658e-03 6.00 -5.017693709e-03 -5.017693709e-03