# 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 = AgCo2Pt # 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 2.264046117e+02 2.264046117e+02 1.30 2.094101176e+02 2.094101176e+02 1.32 1.936437515e+02 1.936437515e+02 1.34 1.790148339e+02 1.790148339e+02 1.36 1.654421643e+02 1.654421643e+02 1.38 1.528470867e+02 1.528470867e+02 1.40 1.411512425e+02 1.411512425e+02 1.42 1.302791571e+02 1.302791571e+02 1.44 1.201623788e+02 1.201623788e+02 1.46 1.107422354e+02 1.107422354e+02 1.48 1.019694695e+02 1.019694695e+02 1.50 9.380102230e+01 9.380102230e+01 1.52 8.619637149e+01 8.619637149e+01 1.54 7.911555248e+01 7.911555248e+01 1.56 7.251908601e+01 7.251908601e+01 1.58 6.636884672e+01 6.636884672e+01 1.60 6.062893418e+01 6.062893418e+01 1.62 5.526625726e+01 5.526625726e+01 1.64 5.025100088e+01 5.025100088e+01 1.66 4.555708418e+01 4.555708418e+01 1.68 4.119398634e+01 4.119398634e+01 1.70 3.718553550e+01 3.718553550e+01 1.72 3.350668939e+01 3.350668939e+01 1.74 3.013351715e+01 3.013351715e+01 1.76 2.704297183e+01 2.704297183e+01 1.78 2.421247339e+01 2.421247339e+01 1.80 2.162021763e+01 2.162021763e+01 1.82 1.924579757e+01 1.924579757e+01 1.84 1.707062793e+01 1.707062793e+01 1.86 1.507798864e+01 1.507798864e+01 1.88 1.325280849e+01 1.325280849e+01 1.90 1.158138662e+01 1.158138662e+01 1.92 1.005117985e+01 1.005117985e+01 1.94 8.650686051e+00 8.650686051e+00 1.96 7.369385167e+00 7.369385167e+00 1.98 6.197680607e+00 6.197680607e+00 2.00 5.126814390e+00 5.126814390e+00 2.02 4.148774496e+00 4.148774496e+00 2.04 3.256221307e+00 3.256221307e+00 2.06 2.442431408e+00 2.442431408e+00 2.08 1.701238259e+00 1.701238259e+00 2.10 1.026960540e+00 1.026960540e+00 2.12 4.143299519e-01 4.143299519e-01 2.14 -1.415613034e-01 -1.415613034e-01 2.16 -6.452808970e-01 -6.452808970e-01 2.18 -1.101048882e+00 -1.101048882e+00 2.20 -1.512720280e+00 -1.512720280e+00 2.22 -1.883777476e+00 -1.883777476e+00 2.24 -2.217342679e+00 -2.217342679e+00 2.26 -2.516208961e+00 -2.516208961e+00 2.28 -2.782882204e+00 -2.782882204e+00 2.30 -3.019626444e+00 -3.019626444e+00 2.32 -3.228507999e+00 -3.228507999e+00 2.34 -3.411436046e+00 -3.411436046e+00 2.36 -3.570606113e+00 -3.570606113e+00 2.38 -3.708933121e+00 -3.708933121e+00 2.40 -3.827703724e+00 -3.827703724e+00 2.42 -3.928099971e+00 -3.928099971e+00 2.44 -4.011342520e+00 -4.011342520e+00 2.46 -4.078687992e+00 -4.078687992e+00 2.48 -4.131425215e+00 -4.131425215e+00 2.50 -4.170872642e+00 -4.170872642e+00 2.52 -4.198453512e+00 -4.198453512e+00 2.54 -4.215463877e+00 -4.215463877e+00 2.56 -4.223120544e+00 -4.223120544e+00 2.58 -4.222608626e+00 -4.222608626e+00 2.60 -4.215036141e+00 -4.215036141e+00 2.62 -4.201388620e+00 -4.201388620e+00 2.64 -4.182493705e+00 -4.182493705e+00 2.66 -4.159002770e+00 -4.159002770e+00 2.68 -4.131334888e+00 -4.131334888e+00 2.70 -4.099704212e+00 -4.099704212e+00 2.72 -4.064251322e+00 -4.064251322e+00 2.74 -4.025076361e+00 -4.025076361e+00 2.76 -3.982261368e+00 -3.982261368e+00 2.78 -3.935886287e+00 -3.935886287e+00 2.80 -3.886039180e+00 -3.886039180e+00 2.82 -3.832822870e+00 -3.832822870e+00 2.84 -3.776429167e+00 -3.776429167e+00 2.86 -3.717016174e+00 -3.717016174e+00 2.88 -3.654681020e+00 -3.654681020e+00 2.90 -3.589585330e+00 -3.589585330e+00 2.92 -3.521962045e+00 -3.521962045e+00 2.94 -3.452119078e+00 -3.452119078e+00 2.96 -3.380436273e+00 -3.380436273e+00 2.98 -3.307352981e+00 -3.307352981e+00 3.00 -3.233346179e+00 -3.233346179e+00 3.02 -3.158905549e+00 -3.158905549e+00 3.04 -3.084498257e+00 -3.084498257e+00 3.06 -3.010535156e+00 -3.010535156e+00 3.08 -2.937367437e+00 -2.937367437e+00 3.10 -2.865352121e+00 -2.865352121e+00 3.12 -2.794752592e+00 -2.794752592e+00 3.14 -2.725712156e+00 -2.725712156e+00 3.16 -2.658282043e+00 -2.658282043e+00 3.18 -2.592449199e+00 -2.592449199e+00 3.20 -2.528160596e+00 -2.528160596e+00 3.22 -2.465342538e+00 -2.465342538e+00 3.24 -2.403914713e+00 -2.403914713e+00 3.26 -2.343799544e+00 -2.343799544e+00 3.28 -2.284927812e+00 -2.284927812e+00 3.30 -2.227241506e+00 -2.227241506e+00 3.32 -2.170694767e+00 -2.170694767e+00 3.34 -2.115253576e+00 -2.115253576e+00 3.36 -2.060894645e+00 -2.060894645e+00 3.38 -2.007603841e+00 -2.007603841e+00 3.40 -1.955374358e+00 -1.955374358e+00 3.42 -1.904204791e+00 -1.904204791e+00 3.44 -1.854097231e+00 -1.854097231e+00 3.46 -1.805055452e+00 -1.805055452e+00 3.48 -1.757083282e+00 -1.757083282e+00 3.50 -1.710183168e+00 -1.710183168e+00 3.52 -1.664354993e+00 -1.664354993e+00 3.54 -1.619595138e+00 -1.619595138e+00 3.56 -1.575895806e+00 -1.575895806e+00 3.58 -1.533244599e+00 -1.533244599e+00 3.60 -1.491624344e+00 -1.491624344e+00 3.62 -1.451013178e+00 -1.451013178e+00 3.64 -1.411384858e+00 -1.411384858e+00 3.66 -1.372709307e+00 -1.372709307e+00 3.68 -1.334953336e+00 -1.334953336e+00 3.70 -1.298081516e+00 -1.298081516e+00 3.72 -1.262057125e+00 -1.262057125e+00 3.74 -1.226843086e+00 -1.226843086e+00 3.76 -1.192402822e+00 -1.192402822e+00 3.78 -1.158700953e+00 -1.158700953e+00 3.80 -1.125703781e+00 -1.125703781e+00 3.82 -1.093379543e+00 -1.093379543e+00 3.84 -1.061698437e+00 -1.061698437e+00 3.86 -1.030632459e+00 -1.030632459e+00 3.88 -1.000155118e+00 -1.000155118e+00 3.90 -9.702410977e-01 -9.702410977e-01 3.92 -9.408659452e-01 -9.408659452e-01 3.94 -9.120058782e-01 -9.120058782e-01 3.96 -8.836377522e-01 -8.836377522e-01 3.98 -8.557392771e-01 -8.557392771e-01 4.00 -8.282894969e-01 -8.282894969e-01 4.02 -8.012695537e-01 -8.012695537e-01 4.04 -7.746637179e-01 -7.746637179e-01 4.06 -7.484606279e-01 -7.484606279e-01 4.08 -7.226546444e-01 -7.226546444e-01 4.10 -6.972471723e-01 -6.972471723e-01 4.12 -6.722477989e-01 -6.722477989e-01 4.14 -6.476749897e-01 -6.476749897e-01 4.16 -6.235562333e-01 -6.235562333e-01 4.18 -5.999274198e-01 -5.999274198e-01 4.20 -5.768314066e-01 -5.768314066e-01 4.22 -5.543157947e-01 -5.543157947e-01 4.24 -5.324300564e-01 -5.324300564e-01 4.26 -5.112222566e-01 -5.112222566e-01 4.28 -4.907356764e-01 -4.907356764e-01 4.30 -4.710056691e-01 -4.710056691e-01 4.32 -4.520570548e-01 -4.520570548e-01 4.34 -4.339022899e-01 -4.339022899e-01 4.36 -4.165405503e-01 -4.165405503e-01 4.38 -3.999577557e-01 -3.999577557e-01 4.40 -3.841274517e-01 -3.841274517e-01 4.42 -3.690123759e-01 -3.690123759e-01 4.44 -3.545664820e-01 -3.545664820e-01 4.46 -3.407371803e-01 -3.407371803e-01 4.48 -3.274675781e-01 -3.274675781e-01 4.50 -3.146985560e-01 -3.146985560e-01 4.52 -3.023705798e-01 -3.023705798e-01 4.54 -2.904252102e-01 -2.904252102e-01 4.56 -2.788063242e-01 -2.788063242e-01 4.58 -2.674610941e-01 -2.674610941e-01 4.60 -2.563407881e-01 -2.563407881e-01 4.62 -2.454014580e-01 -2.454014580e-01 4.64 -2.346045705e-01 -2.346045705e-01 4.66 -2.239176179e-01 -2.239176179e-01 4.68 -2.133147271e-01 -2.133147271e-01 4.70 -2.027772538e-01 -2.027772538e-01 4.72 -1.922943301e-01 -1.922943301e-01 4.74 -1.818633089e-01 -1.818633089e-01 4.76 -1.714900337e-01 -1.714900337e-01 4.78 -1.611888585e-01 -1.611888585e-01 4.80 -1.509823438e-01 -1.509823438e-01 4.82 -1.409005853e-01 -1.409005853e-01 4.84 -1.309801373e-01 -1.309801373e-01 4.86 -1.212625717e-01 -1.212625717e-01 4.88 -1.117927175e-01 -1.117927175e-01 4.90 -1.026166841e-01 -1.026166841e-01 4.92 -9.377979466e-02 -9.377979466e-02 4.94 -8.532456736e-02 -8.532456736e-02 4.96 -7.728887693e-02 -7.728887693e-02 4.98 -6.970442108e-02 -6.970442108e-02 5.00 -6.259557414e-02 -6.259557414e-02 5.02 -5.597867335e-02 -5.597867335e-02 5.04 -4.986176396e-02 -4.986176396e-02 5.06 -4.424477618e-02 -4.424477618e-02 5.08 -3.912029746e-02 -3.912029746e-02 5.10 -3.447416935e-02 -3.447416935e-02 5.12 -3.028612800e-02 -3.028612800e-02 5.14 -2.653155905e-02 -2.653155905e-02 5.16 -2.318267716e-02 -2.318267716e-02 5.18 -2.020965264e-02 -2.020965264e-02 5.20 -1.758163896e-02 -1.758163896e-02 5.22 -1.526766313e-02 -1.526766313e-02 5.24 -1.323717252e-02 -1.323717252e-02 5.26 -1.146088274e-02 -1.146088274e-02 5.28 -9.911444085e-03 -9.911444085e-03 5.30 -8.563279046e-03 -8.563279046e-03 5.32 -7.392786296e-03 -7.392786296e-03 5.34 -6.378436467e-03 -6.378436467e-03 5.36 -5.500780440e-03 -5.500780440e-03 5.38 -4.742393334e-03 -4.742393334e-03 5.40 -4.087773827e-03 -4.087773827e-03 5.42 -3.523214856e-03 -3.523214856e-03 5.44 -3.036658299e-03 -3.036658299e-03 5.46 -2.617543162e-03 -2.617543162e-03 5.48 -2.256654256e-03 -2.256654256e-03 5.50 -1.945976177e-03 -1.945976177e-03 5.52 -1.678555756e-03 -1.678555756e-03 5.54 -1.448374841e-03 -1.448374841e-03 5.56 -1.250234317e-03 -1.250234317e-03 5.58 -1.079649594e-03 -1.079649594e-03 5.60 -9.327572853e-04 -9.327572853e-04 5.62 -8.062325426e-04 -8.062325426e-04 5.64 -6.972162690e-04 -6.972162690e-04 5.66 -6.032513760e-04 -6.032513760e-04 5.68 -5.222271994e-04 -5.222271994e-04 5.70 -4.523312061e-04 -4.523312061e-04 5.72 -3.920071603e-04 -3.920071603e-04 5.74 -3.399189754e-04 -3.399189754e-04 5.76 -2.949195428e-04 -2.949195428e-04 5.78 -2.560238985e-04 -2.560238985e-04 5.80 -2.223861537e-04 -2.223861537e-04 5.82 -1.932796848e-04 -1.932796848e-04 5.84 -1.680801359e-04 -1.680801359e-04 5.86 -1.462508446e-04 -1.462508446e-04 5.88 -1.273303513e-04 -1.273303513e-04 5.90 -1.109216986e-04 -1.109216986e-04 5.92 -9.668326539e-05 -9.668326539e-05 5.94 -8.432091681e-05 -8.432091681e-05 5.96 -7.358128073e-05 -7.358128073e-05 5.98 -6.424598933e-05 -6.424598933e-05 6.00 -5.612674597e-05 -5.612674597e-05