# 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 = Co2TaW # 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 2.594042429e+02 2.594042429e+02 1.30 2.387475007e+02 2.387475007e+02 1.32 2.197175687e+02 2.197175687e+02 1.34 2.021785084e+02 2.021785084e+02 1.36 1.860065414e+02 1.860065414e+02 1.38 1.710887178e+02 1.710887178e+02 1.40 1.573221381e+02 1.573221381e+02 1.42 1.446132783e+02 1.446132783e+02 1.44 1.328767660e+02 1.328767660e+02 1.46 1.220338899e+02 1.220338899e+02 1.48 1.120115985e+02 1.120115985e+02 1.50 1.027422237e+02 1.027422237e+02 1.52 9.416368073e+01 9.416368073e+01 1.54 8.621987229e+01 8.621987229e+01 1.56 7.886098912e+01 7.886098912e+01 1.58 7.204330033e+01 7.204330033e+01 1.60 6.572828451e+01 6.572828451e+01 1.62 5.988138142e+01 5.988138142e+01 1.64 5.447080505e+01 5.447080505e+01 1.66 4.946672287e+01 4.946672287e+01 1.68 4.484087254e+01 4.484087254e+01 1.70 4.056647218e+01 4.056647218e+01 1.72 3.661819068e+01 3.661819068e+01 1.74 3.297206007e+01 3.297206007e+01 1.76 2.960539293e+01 2.960539293e+01 1.78 2.649680799e+01 2.649680799e+01 1.80 2.362637972e+01 2.362637972e+01 1.82 2.097932024e+01 2.097932024e+01 1.84 1.854137066e+01 1.854137066e+01 1.86 1.629683504e+01 1.629683504e+01 1.88 1.423163179e+01 1.423163179e+01 1.90 1.233416523e+01 1.233416523e+01 1.92 1.059270328e+01 1.059270328e+01 1.94 8.995795600e+00 8.995795600e+00 1.96 7.532532658e+00 7.532532658e+00 1.98 6.192500017e+00 6.192500017e+00 2.00 4.965819256e+00 4.965819256e+00 2.02 3.843232139e+00 3.843232139e+00 2.04 2.816174718e+00 2.816174718e+00 2.06 1.876799626e+00 1.876799626e+00 2.08 1.017939288e+00 1.017939288e+00 2.10 2.330355821e-01 2.330355821e-01 2.12 -4.839281739e-01 -4.839281739e-01 2.14 -1.138467934e+00 -1.138467934e+00 2.16 -1.735608259e+00 -1.735608259e+00 2.18 -2.279875578e+00 -2.279875578e+00 2.20 -2.775300072e+00 -2.775300072e+00 2.22 -3.225446373e+00 -3.225446373e+00 2.24 -3.633478436e+00 -3.633478436e+00 2.26 -4.002248458e+00 -4.002248458e+00 2.28 -4.334391466e+00 -4.334391466e+00 2.30 -4.632407448e+00 -4.632407448e+00 2.32 -4.898718121e+00 -4.898718121e+00 2.34 -5.135692425e+00 -5.135692425e+00 2.36 -5.345641983e+00 -5.345641983e+00 2.38 -5.530794220e+00 -5.530794220e+00 2.40 -5.693227671e+00 -5.693227671e+00 2.42 -5.834827962e+00 -5.834827962e+00 2.44 -5.957447204e+00 -5.957447204e+00 2.46 -6.062642985e+00 -6.062642985e+00 2.48 -6.151901842e+00 -6.151901842e+00 2.50 -6.226691435e+00 -6.226691435e+00 2.52 -6.288288139e+00 -6.288288139e+00 2.54 -6.337817200e+00 -6.337817200e+00 2.56 -6.376252312e+00 -6.376252312e+00 2.58 -6.404248613e+00 -6.404248613e+00 2.60 -6.422165692e+00 -6.422165692e+00 2.62 -6.430191711e+00 -6.430191711e+00 2.64 -6.428576661e+00 -6.428576661e+00 2.66 -6.417605520e+00 -6.417605520e+00 2.68 -6.397569106e+00 -6.397569106e+00 2.70 -6.368751253e+00 -6.368751253e+00 2.72 -6.331428375e+00 -6.331428375e+00 2.74 -6.285875075e+00 -6.285875075e+00 2.76 -6.232370569e+00 -6.232370569e+00 2.78 -6.171218133e+00 -6.171218133e+00 2.80 -6.102789573e+00 -6.102789573e+00 2.82 -6.027344291e+00 -6.027344291e+00 2.84 -5.945154123e+00 -5.945154123e+00 2.86 -5.856532137e+00 -5.856532137e+00 2.88 -5.761837809e+00 -5.761837809e+00 2.90 -5.661483315e+00 -5.661483315e+00 2.92 -5.555939183e+00 -5.555939183e+00 2.94 -5.445737182e+00 -5.445737182e+00 2.96 -5.331451956e+00 -5.331451956e+00 2.98 -5.213617105e+00 -5.213617105e+00 3.00 -5.092784563e+00 -5.092784563e+00 3.02 -4.969540165e+00 -4.969540165e+00 3.04 -4.844472391e+00 -4.844472391e+00 3.06 -4.718139779e+00 -4.718139779e+00 3.08 -4.591041156e+00 -4.591041156e+00 3.10 -4.463593176e+00 -4.463593176e+00 3.12 -4.336118614e+00 -4.336118614e+00 3.14 -4.208846818e+00 -4.208846818e+00 3.16 -4.081925320e+00 -4.081925320e+00 3.18 -3.955439724e+00 -3.955439724e+00 3.20 -3.829438053e+00 -3.829438053e+00 3.22 -3.703955737e+00 -3.703955737e+00 3.24 -3.579038055e+00 -3.579038055e+00 3.26 -3.454757761e+00 -3.454757761e+00 3.28 -3.331226562e+00 -3.331226562e+00 3.30 -3.208600016e+00 -3.208600016e+00 3.32 -3.087076230e+00 -3.087076230e+00 3.34 -2.966889392e+00 -2.966889392e+00 3.36 -2.848299602e+00 -2.848299602e+00 3.38 -2.731580687e+00 -2.731580687e+00 3.40 -2.617007541e+00 -2.617007541e+00 3.42 -2.504844219e+00 -2.504844219e+00 3.44 -2.395333563e+00 -2.395333563e+00 3.46 -2.288688711e+00 -2.288688711e+00 3.48 -2.185086541e+00 -2.185086541e+00 3.50 -2.084663003e+00 -2.084663003e+00 3.52 -1.987510277e+00 -1.987510277e+00 3.54 -1.893675839e+00 -1.893675839e+00 3.56 -1.803163536e+00 -1.803163536e+00 3.58 -1.715936796e+00 -1.715936796e+00 3.60 -1.631923955e+00 -1.631923955e+00 3.62 -1.551025522e+00 -1.551025522e+00 3.64 -1.473122974e+00 -1.473122974e+00 3.66 -1.398088459e+00 -1.398088459e+00 3.68 -1.325794692e+00 -1.325794692e+00 3.70 -1.256124208e+00 -1.256124208e+00 3.72 -1.188977211e+00 -1.188977211e+00 3.74 -1.124277348e+00 -1.124277348e+00 3.76 -1.061974912e+00 -1.061974912e+00 3.78 -1.002047245e+00 -1.002047245e+00 3.80 -9.444963619e-01 -9.444963619e-01 3.82 -8.893441338e-01 -8.893441338e-01 3.84 -8.366255867e-01 -8.366255867e-01 3.86 -7.863810907e-01 -7.863810907e-01 3.88 -7.386482832e-01 -7.386482832e-01 3.90 -6.934545560e-01 -6.934545560e-01 3.92 -6.508108081e-01 -6.508108081e-01 3.94 -6.107069578e-01 -6.107069578e-01 3.96 -5.731094562e-01 -5.731094562e-01 3.98 -5.379607980e-01 -5.379607980e-01 4.00 -5.051808142e-01 -5.051808142e-01 4.02 -4.746693859e-01 -4.746693859e-01 4.04 -4.463101482e-01 -4.463101482e-01 4.06 -4.199747500e-01 -4.199747500e-01 4.08 -3.955272801e-01 -3.955272801e-01 4.10 -3.728285527e-01 -3.728285527e-01 4.12 -3.517400301e-01 -3.517400301e-01 4.14 -3.321272381e-01 -3.321272381e-01 4.16 -3.138625982e-01 -3.138625982e-01 4.18 -2.968276324e-01 -2.968276324e-01 4.20 -2.809145216e-01 -2.809145216e-01 4.22 -2.660270030e-01 -2.660270030e-01 4.24 -2.520806021e-01 -2.520806021e-01 4.26 -2.390022103e-01 -2.390022103e-01 4.28 -2.267290580e-01 -2.267290580e-01 4.30 -2.152071869e-01 -2.152071869e-01 4.32 -2.043895863e-01 -2.043895863e-01 4.34 -1.942342088e-01 -1.942342088e-01 4.36 -1.847020957e-01 -1.847020957e-01 4.38 -1.757558164e-01 -1.757558164e-01 4.40 -1.673583569e-01 -1.673583569e-01 4.42 -1.594725082e-01 -1.594725082e-01 4.44 -1.520607041e-01 -1.520607041e-01 4.46 -1.450848857e-01 -1.450848857e-01 4.48 -1.385076489e-01 -1.385076489e-01 4.50 -1.322924896e-01 -1.322924896e-01 4.52 -1.264039440e-01 -1.264039440e-01 4.54 -1.208080348e-01 -1.208080348e-01 4.56 -1.154725781e-01 -1.154725781e-01 4.58 -1.103673586e-01 -1.103673586e-01 4.60 -1.054642006e-01 -1.054642006e-01 4.62 -1.007369672e-01 -1.007369672e-01 4.64 -9.616152570e-02 -9.616152570e-02 4.66 -9.171571201e-02 -9.171571201e-02 4.68 -8.737932307e-02 -8.737932307e-02 4.70 -8.313416069e-02 -8.313416069e-02 4.72 -7.896414254e-02 -7.896414254e-02 4.74 -7.485548855e-02 -7.485548855e-02 4.76 -7.079698157e-02 -7.079698157e-02 4.78 -6.678028975e-02 -6.678028975e-02 4.80 -6.280032542e-02 -6.280032542e-02 4.82 -5.885560145e-02 -5.885560145e-02 4.84 -5.494852975e-02 -5.494852975e-02 4.86 -5.108560146e-02 -5.108560146e-02 4.88 -4.727737688e-02 -4.727737688e-02 4.90 -4.353822634e-02 -4.353822634e-02 4.92 -3.988578382e-02 -3.988578382e-02 4.94 -3.634010178e-02 -3.634010178e-02 4.96 -3.292254422e-02 -3.292254422e-02 4.98 -2.965450286e-02 -2.965450286e-02 5.00 -2.655604759e-02 -2.655604759e-02 5.02 -2.364465460e-02 -2.364465460e-02 5.04 -2.093414941e-02 -2.093414941e-02 5.06 -1.843396854e-02 -1.843396854e-02 5.08 -1.614856497e-02 -1.614856497e-02 5.10 -1.407773759e-02 -1.407773759e-02 5.12 -1.221735401e-02 -1.221735401e-02 5.14 -1.055940883e-02 -1.055940883e-02 5.16 -9.092817763e-03 -9.092817763e-03 5.18 -7.804275187e-03 -7.804275187e-03 5.20 -6.679084361e-03 -6.679084361e-03 5.22 -5.701899875e-03 -5.701899875e-03 5.24 -4.857346909e-03 -4.857346909e-03 5.26 -4.130503648e-03 -4.130503648e-03 5.28 -3.507249798e-03 -3.507249798e-03 5.30 -2.974495013e-03 -2.974495013e-03 5.32 -2.520306761e-03 -2.520306761e-03 5.34 -2.133958894e-03 -2.133958894e-03 5.36 -1.805921282e-03 -1.805921282e-03 5.38 -1.527808401e-03 -1.527808401e-03 5.40 -1.292301629e-03 -1.292301629e-03 5.42 -1.093056803e-03 -1.093056803e-03 5.44 -9.246056162e-04 -9.246056162e-04 5.46 -7.822569533e-04 -7.822569533e-04 5.48 -6.620021987e-04 -6.620021987e-04 5.50 -5.604270318e-04 -5.604270318e-04 5.52 -4.746310437e-04 -4.746310437e-04 5.54 -4.021557073e-04 -4.021557073e-04 5.56 -3.409206746e-04 -3.409206746e-04 5.58 -2.891680229e-04 -2.891680229e-04 5.60 -2.454138649e-04 -2.454138649e-04 5.62 -2.084066326e-04 -2.084066326e-04 5.64 -1.770913106e-04 -1.770913106e-04 5.66 -1.505789061e-04 -1.505789061e-04 5.68 -1.281204836e-04 -1.281204836e-04 5.70 -1.090851448e-04 -1.090851448e-04 5.72 -9.294140001e-05 -9.294140001e-05 5.74 -7.924143657e-05 -7.924143657e-05 5.76 -6.760785454e-05 -6.760785454e-05 5.78 -5.772249514e-05 -5.772249514e-05 5.80 -4.931704019e-05 -4.931704019e-05 5.82 -4.216510654e-05 -4.216510654e-05 5.84 -3.607560088e-05 -3.607560088e-05 5.86 -3.088713520e-05 -3.088713520e-05 5.88 -2.646333430e-05 -2.646333430e-05 5.90 -2.268889276e-05 -2.268889276e-05 5.92 -1.946626134e-05 -1.946626134e-05 5.94 -1.671286166e-05 -1.671286166e-05 5.96 -1.435874442e-05 -1.435874442e-05 5.98 -1.234461976e-05 -1.234461976e-05 6.00 -1.062019995e-05 -1.062019995e-05