# 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 = AgMoPd2 # 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 3.183207690e+02 3.183207690e+02 1.30 2.950846046e+02 2.950846046e+02 1.32 2.735444997e+02 2.735444997e+02 1.34 2.535678783e+02 2.535678783e+02 1.36 2.350360362e+02 2.350360362e+02 1.38 2.178408584e+02 2.178408584e+02 1.40 2.018820640e+02 2.018820640e+02 1.42 1.870654627e+02 1.870654627e+02 1.44 1.733026603e+02 1.733026603e+02 1.46 1.605117625e+02 1.605117625e+02 1.48 1.486178529e+02 1.486178529e+02 1.50 1.375525826e+02 1.375525826e+02 1.52 1.272532471e+02 1.272532471e+02 1.54 1.176619999e+02 1.176619999e+02 1.56 1.087253947e+02 1.087253947e+02 1.58 1.003940839e+02 1.003940839e+02 1.60 9.262257152e+01 9.262257152e+01 1.62 8.536906087e+01 8.536906087e+01 1.64 7.859539465e+01 7.859539465e+01 1.66 7.226696101e+01 7.226696101e+01 1.68 6.635244760e+01 6.635244760e+01 1.70 6.082461507e+01 6.082461507e+01 1.72 5.566022748e+01 5.566022748e+01 1.74 5.086375050e+01 5.086375050e+01 1.76 4.642265867e+01 4.642265867e+01 1.78 4.231315101e+01 4.231315101e+01 1.80 3.851333360e+01 3.851333360e+01 1.82 3.500288476e+01 3.500288476e+01 1.84 3.176262115e+01 3.176262115e+01 1.86 2.877410535e+01 2.877410535e+01 1.88 2.601941606e+01 2.601941606e+01 1.90 2.348113996e+01 2.348113996e+01 1.92 2.114255914e+01 2.114255914e+01 1.94 1.898792671e+01 1.898792671e+01 1.96 1.700269387e+01 1.700269387e+01 1.98 1.517359569e+01 1.517359569e+01 2.00 1.348858448e+01 1.348858448e+01 2.02 1.193666389e+01 1.193666389e+01 2.04 1.050769616e+01 1.050769616e+01 2.06 9.192239148e+00 9.192239148e+00 2.08 7.981440780e+00 7.981440780e+00 2.10 6.866994101e+00 6.866994101e+00 2.12 5.841140781e+00 5.841140781e+00 2.14 4.896702880e+00 4.896702880e+00 2.16 4.027119424e+00 4.027119424e+00 2.18 3.226467256e+00 3.226467256e+00 2.20 2.489453992e+00 2.489453992e+00 2.22 1.811381070e+00 1.811381070e+00 2.24 1.188083015e+00 1.188083015e+00 2.26 6.158530016e-01 6.158530016e-01 2.28 9.136468634e-02 9.136468634e-02 2.30 -3.884024293e-01 -3.884024293e-01 2.32 -8.262301100e-01 -8.262301100e-01 2.34 -1.224719237e+00 -1.224719237e+00 2.36 -1.586337577e+00 -1.586337577e+00 2.38 -1.913456772e+00 -1.913456772e+00 2.40 -2.208354090e+00 -2.208354090e+00 2.42 -2.473143916e+00 -2.473143916e+00 2.44 -2.710146032e+00 -2.710146032e+00 2.46 -2.921652919e+00 -2.921652919e+00 2.48 -3.109866003e+00 -3.109866003e+00 2.50 -3.276874374e+00 -3.276874374e+00 2.52 -3.424623144e+00 -3.424623144e+00 2.54 -3.554880191e+00 -3.554880191e+00 2.56 -3.669171857e+00 -3.669171857e+00 2.58 -3.768641562e+00 -3.768641562e+00 2.60 -3.854257174e+00 -3.854257174e+00 2.62 -3.926896093e+00 -3.926896093e+00 2.64 -3.987360115e+00 -3.987360115e+00 2.66 -4.036388445e+00 -4.036388445e+00 2.68 -4.074666946e+00 -4.074666946e+00 2.70 -4.103081688e+00 -4.103081688e+00 2.72 -4.122695223e+00 -4.122695223e+00 2.74 -4.133768905e+00 -4.133768905e+00 2.76 -4.136559053e+00 -4.136559053e+00 2.78 -4.131352899e+00 -4.131352899e+00 2.80 -4.118465836e+00 -4.118465836e+00 2.82 -4.098240860e+00 -4.098240860e+00 2.84 -4.071050030e+00 -4.071050030e+00 2.86 -4.037352808e+00 -4.037352808e+00 2.88 -3.997739679e+00 -3.997739679e+00 2.90 -3.952592125e+00 -3.952592125e+00 2.92 -3.902311516e+00 -3.902311516e+00 2.94 -3.847335119e+00 -3.847335119e+00 2.96 -3.788125299e+00 -3.788125299e+00 2.98 -3.725157842e+00 -3.725157842e+00 3.00 -3.658923990e+00 -3.658923990e+00 3.02 -3.589904847e+00 -3.589904847e+00 3.04 -3.518548457e+00 -3.518548457e+00 3.06 -3.445262626e+00 -3.445262626e+00 3.08 -3.370410127e+00 -3.370410127e+00 3.10 -3.294305641e+00 -3.294305641e+00 3.12 -3.217214372e+00 -3.217214372e+00 3.14 -3.139352715e+00 -3.139352715e+00 3.16 -3.060891400e+00 -3.060891400e+00 3.18 -2.981961288e+00 -2.981961288e+00 3.20 -2.902661487e+00 -2.902661487e+00 3.22 -2.823069124e+00 -2.823069124e+00 3.24 -2.743249906e+00 -2.743249906e+00 3.26 -2.663268644e+00 -2.663268644e+00 3.28 -2.583199003e+00 -2.583199003e+00 3.30 -2.503131910e+00 -2.503131910e+00 3.32 -2.423182128e+00 -2.423182128e+00 3.34 -2.343492581e+00 -2.343492581e+00 3.36 -2.264236093e+00 -2.264236093e+00 3.38 -2.185614304e+00 -2.185614304e+00 3.40 -2.107853719e+00 -2.107853719e+00 3.42 -2.031199060e+00 -2.031199060e+00 3.44 -1.955904402e+00 -1.955904402e+00 3.46 -1.882222810e+00 -1.882222810e+00 3.48 -1.810395431e+00 -1.810395431e+00 3.50 -1.740641036e+00 -1.740641036e+00 3.52 -1.673147000e+00 -1.673147000e+00 3.54 -1.608062475e+00 -1.608062475e+00 3.56 -1.545494219e+00 -1.545494219e+00 3.58 -1.485505216e+00 -1.485505216e+00 3.60 -1.428115894e+00 -1.428115894e+00 3.62 -1.373307485e+00 -1.373307485e+00 3.64 -1.321026957e+00 -1.321026957e+00 3.66 -1.271192883e+00 -1.271192883e+00 3.68 -1.223701652e+00 -1.223701652e+00 3.70 -1.178433571e+00 -1.178433571e+00 3.72 -1.135258479e+00 -1.135258479e+00 3.74 -1.094040683e+00 -1.094040683e+00 3.76 -1.054643100e+00 -1.054643100e+00 3.78 -1.016930599e+00 -1.016930599e+00 3.80 -9.807725782e-01 -9.807725782e-01 3.82 -9.460448783e-01 -9.460448783e-01 3.84 -9.126311177e-01 -9.126311177e-01 3.86 -8.804235703e-01 -8.804235703e-01 3.88 -8.493236886e-01 -8.493236886e-01 3.90 -8.192423781e-01 -8.192423781e-01 3.92 -7.901001116e-01 -7.901001116e-01 3.94 -7.618269635e-01 -7.618269635e-01 3.96 -7.343626051e-01 -7.343626051e-01 3.98 -7.076562982e-01 -7.076562982e-01 4.00 -6.816668628e-01 -6.816668628e-01 4.02 -6.563625770e-01 -6.563625770e-01 4.04 -6.317209279e-01 -6.317209279e-01 4.06 -6.077281200e-01 -6.077281200e-01 4.08 -5.843782483e-01 -5.843782483e-01 4.10 -5.616720774e-01 -5.616720774e-01 4.12 -5.396154323e-01 -5.396154323e-01 4.14 -5.182172538e-01 -5.182172538e-01 4.16 -4.974874988e-01 -4.974874988e-01 4.18 -4.774350639e-01 -4.774350639e-01 4.20 -4.580659590e-01 -4.580659590e-01 4.22 -4.393819109e-01 -4.393819109e-01 4.24 -4.213795057e-01 -4.213795057e-01 4.26 -4.040498797e-01 -4.040498797e-01 4.28 -3.873788823e-01 -3.873788823e-01 4.30 -3.713475708e-01 -3.713475708e-01 4.32 -3.559328736e-01 -3.559328736e-01 4.34 -3.411082839e-01 -3.411082839e-01 4.36 -3.268444850e-01 -3.268444850e-01 4.38 -3.131098726e-01 -3.131098726e-01 4.40 -2.998709862e-01 -2.998709862e-01 4.42 -2.870928985e-01 -2.870928985e-01 4.44 -2.747396205e-01 -2.747396205e-01 4.46 -2.627745762e-01 -2.627745762e-01 4.48 -2.511611800e-01 -2.511611800e-01 4.50 -2.398635284e-01 -2.398635284e-01 4.52 -2.288471952e-01 -2.288471952e-01 4.54 -2.180801069e-01 -2.180801069e-01 4.56 -2.075334615e-01 -2.075334615e-01 4.58 -1.971826491e-01 -1.971826491e-01 4.60 -1.870081260e-01 -1.870081260e-01 4.62 -1.769961884e-01 -1.769961884e-01 4.64 -1.671395853e-01 -1.671395853e-01 4.66 -1.574379066e-01 -1.574379066e-01 4.68 -1.478976815e-01 -1.478976815e-01 4.70 -1.385321324e-01 -1.385321324e-01 4.72 -1.293605476e-01 -1.293605476e-01 4.74 -1.204072705e-01 -1.204072705e-01 4.76 -1.117003395e-01 -1.117003395e-01 4.78 -1.032698624e-01 -1.032698624e-01 4.80 -9.514624569e-02 -9.514624569e-02 4.82 -8.735842882e-02 -8.735842882e-02 4.84 -7.993227122e-02 -7.993227122e-02 4.86 -7.288924236e-02 -7.288924236e-02 4.88 -6.624549832e-02 -6.624549832e-02 4.90 -6.001140346e-02 -6.001140346e-02 4.92 -5.419146726e-02 -5.419146726e-02 4.94 -4.878465509e-02 -4.878465509e-02 4.96 -4.378496309e-02 -4.378496309e-02 4.98 -3.918216884e-02 -3.918216884e-02 5.00 -3.496264864e-02 -3.496264864e-02 5.02 -3.111016791e-02 -3.111016791e-02 5.04 -2.760627787e-02 -2.760627787e-02 5.06 -2.443140925e-02 -2.443140925e-02 5.08 -2.156568629e-02 -2.156568629e-02 5.10 -1.898859696e-02 -1.898859696e-02 5.12 -1.667960121e-02 -1.667960121e-02 5.14 -1.461824684e-02 -1.461824684e-02 5.16 -1.278440397e-02 -1.278440397e-02 5.18 -1.115846765e-02 -1.115846765e-02 5.20 -9.721528624e-03 -9.721528624e-03 5.22 -8.455517213e-03 -8.455517213e-03 5.24 -7.343321431e-03 -7.343321431e-03 5.26 -6.368878780e-03 -6.368878780e-03 5.28 -5.517240748e-03 -5.517240748e-03 5.30 -4.774609993e-03 -4.774609993e-03 5.32 -4.128351351e-03 -4.128351351e-03 5.34 -3.566979116e-03 -3.566979116e-03 5.36 -3.080123946e-03 -3.080123946e-03 5.38 -2.658483373e-03 -2.658483373e-03 5.40 -2.293760020e-03 -2.293760020e-03 5.42 -1.978591491e-03 -1.978591491e-03 5.44 -1.706475514e-03 -1.706475514e-03 5.46 -1.471693333e-03 -1.471693333e-03 5.48 -1.269233803e-03 -1.269233803e-03 5.50 -1.094720039e-03 -1.094720039e-03 5.52 -9.443399311e-04 -9.443399311e-04 5.54 -8.147814022e-04 -8.147814022e-04 5.56 -7.031728852e-04 -7.031728852e-04 5.58 -6.070292169e-04 -6.070292169e-04 5.60 -5.242029219e-04 -5.242029219e-04 5.62 -4.528406959e-04 -4.528406959e-04 5.64 -3.913447978e-04 -3.913447978e-04 5.66 -3.383389925e-04 -3.383389925e-04 5.68 -2.926386543e-04 -2.926386543e-04 5.70 -2.532246314e-04 -2.532246314e-04 5.72 -2.192204777e-04 -2.192204777e-04 5.74 -1.898726778e-04 -1.898726778e-04 5.76 -1.645335143e-04 -1.645335143e-04 5.78 -1.426462550e-04 -1.426462550e-04 5.80 -1.237323701e-04 -1.237323701e-04 5.82 -1.073805156e-04 -1.073805156e-04 5.84 -9.323705120e-05 -9.323705120e-05 5.86 -8.099788695e-05 -8.099788695e-05 5.88 -7.040147722e-05 -7.040147722e-05 5.90 -6.122280514e-05 -6.122280514e-05 5.92 -5.326821924e-05 -5.326821924e-05 5.94 -4.637100317e-05 -4.637100317e-05 5.96 -4.038757540e-05 -4.038757540e-05 5.98 -3.519422955e-05 -3.519422955e-05 6.00 -3.068433857e-05 -3.068433857e-05