# 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 = Co2PdTa # 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 2.447701387e+02 2.447701387e+02 1.30 2.260761313e+02 2.260761313e+02 1.32 2.087899128e+02 2.087899128e+02 1.34 1.927944264e+02 1.927944264e+02 1.36 1.779843107e+02 1.779843107e+02 1.38 1.642638149e+02 1.642638149e+02 1.40 1.515460106e+02 1.515460106e+02 1.42 1.397529043e+02 1.397529043e+02 1.44 1.288154264e+02 1.288154264e+02 1.46 1.186726038e+02 1.186726038e+02 1.48 1.092696085e+02 1.092696085e+02 1.50 1.005551049e+02 1.005551049e+02 1.52 9.247915904e+01 9.247915904e+01 1.54 8.499273303e+01 8.499273303e+01 1.56 7.804856787e+01 7.804856787e+01 1.58 7.160245980e+01 7.160245980e+01 1.60 6.561412741e+01 6.561412741e+01 1.62 6.004748154e+01 6.004748154e+01 1.64 5.487045911e+01 5.487045911e+01 1.66 5.005457801e+01 5.005457801e+01 1.68 4.557430451e+01 4.557430451e+01 1.70 4.140635176e+01 4.140635176e+01 1.72 3.753117893e+01 3.753117893e+01 1.74 3.393195076e+01 3.393195076e+01 1.76 3.058933977e+01 3.058933977e+01 1.78 2.749684161e+01 2.749684161e+01 1.80 2.464261862e+01 2.464261862e+01 1.82 2.200968306e+01 2.200968306e+01 1.84 1.958237349e+01 1.958237349e+01 1.86 1.734644579e+01 1.734644579e+01 1.88 1.528880104e+01 1.528880104e+01 1.90 1.339722157e+01 1.339722157e+01 1.92 1.166014453e+01 1.166014453e+01 1.94 1.006649684e+01 1.006649684e+01 1.96 8.605603666e+00 8.605603666e+00 1.98 7.267167653e+00 7.267167653e+00 2.00 6.041314053e+00 6.041314053e+00 2.02 4.918697697e+00 4.918697697e+00 2.04 3.890645885e+00 3.890645885e+00 2.06 2.949282147e+00 2.949282147e+00 2.08 2.087578877e+00 2.087578877e+00 2.10 1.299323618e+00 1.299323618e+00 2.12 5.790224578e-01 5.790224578e-01 2.14 -7.821993039e-02 -7.821993039e-02 2.16 -6.768109782e-01 -6.768109782e-01 2.18 -1.220757040e+00 -1.220757040e+00 2.20 -1.713728822e+00 -1.713728822e+00 2.22 -2.159116216e+00 -2.159116216e+00 2.24 -2.560081605e+00 -2.560081605e+00 2.26 -2.919613901e+00 -2.919613901e+00 2.28 -3.240579784e+00 -3.240579784e+00 2.30 -3.525765920e+00 -3.525765920e+00 2.32 -3.777905757e+00 -3.777905757e+00 2.34 -3.999670674e+00 -3.999670674e+00 2.36 -4.193534760e+00 -4.193534760e+00 2.38 -4.362207059e+00 -4.362207059e+00 2.40 -4.508310408e+00 -4.508310408e+00 2.42 -4.634231580e+00 -4.634231580e+00 2.44 -4.742099303e+00 -4.742099303e+00 2.46 -4.833764133e+00 -4.833764133e+00 2.48 -4.910528858e+00 -4.910528858e+00 2.50 -4.973385112e+00 -4.973385112e+00 2.52 -5.023328187e+00 -5.023328187e+00 2.54 -5.061336200e+00 -5.061336200e+00 2.56 -5.088354958e+00 -5.088354958e+00 2.58 -5.105293722e+00 -5.105293722e+00 2.60 -5.113022776e+00 -5.113022776e+00 2.62 -5.112364947e+00 -5.112364947e+00 2.64 -5.104118620e+00 -5.104118620e+00 2.66 -5.089005733e+00 -5.089005733e+00 2.68 -5.067546715e+00 -5.067546715e+00 2.70 -5.040194889e+00 -5.040194889e+00 2.72 -5.007601821e+00 -5.007601821e+00 2.74 -4.970235519e+00 -4.970235519e+00 2.76 -4.928245225e+00 -4.928245225e+00 2.78 -4.881803022e+00 -4.881803022e+00 2.80 -4.831102727e+00 -4.831102727e+00 2.82 -4.776330301e+00 -4.776330301e+00 2.84 -4.717609540e+00 -4.717609540e+00 2.86 -4.655087722e+00 -4.655087722e+00 2.88 -4.588976774e+00 -4.588976774e+00 2.90 -4.519555922e+00 -4.519555922e+00 2.92 -4.447121720e+00 -4.447121720e+00 2.94 -4.371978824e+00 -4.371978824e+00 2.96 -4.294433463e+00 -4.294433463e+00 2.98 -4.214786714e+00 -4.214786714e+00 3.00 -4.133328415e+00 -4.133328415e+00 3.02 -4.050332004e+00 -4.050332004e+00 3.04 -3.966050034e+00 -3.966050034e+00 3.06 -3.880710085e+00 -3.880710085e+00 3.08 -3.794511297e+00 -3.794511297e+00 3.10 -3.707622566e+00 -3.707622566e+00 3.12 -3.620183665e+00 -3.620183665e+00 3.14 -3.532310051e+00 -3.532310051e+00 3.16 -3.444101045e+00 -3.444101045e+00 3.18 -3.355650151e+00 -3.355650151e+00 3.20 -3.267055773e+00 -3.267055773e+00 3.22 -3.178430702e+00 -3.178430702e+00 3.24 -3.089909036e+00 -3.089909036e+00 3.26 -3.001649671e+00 -3.001649671e+00 3.28 -2.913835902e+00 -2.913835902e+00 3.30 -2.826671109e+00 -2.826671109e+00 3.32 -2.740370963e+00 -2.740370963e+00 3.34 -2.655153026e+00 -2.655153026e+00 3.36 -2.571225022e+00 -2.571225022e+00 3.38 -2.488773218e+00 -2.488773218e+00 3.40 -2.407952351e+00 -2.407952351e+00 3.42 -2.328878203e+00 -2.328878203e+00 3.44 -2.251623478e+00 -2.251623478e+00 3.46 -2.176217125e+00 -2.176217125e+00 3.48 -2.102646762e+00 -2.102646762e+00 3.50 -2.030863560e+00 -2.030863560e+00 3.52 -1.960788830e+00 -1.960788830e+00 3.54 -1.892321549e+00 -1.892321549e+00 3.56 -1.825346225e+00 -1.825346225e+00 3.58 -1.759740662e+00 -1.759740662e+00 3.60 -1.695383362e+00 -1.695383362e+00 3.62 -1.632160409e+00 -1.632160409e+00 3.64 -1.569971756e+00 -1.569971756e+00 3.66 -1.508736820e+00 -1.508736820e+00 3.68 -1.448399252e+00 -1.448399252e+00 3.70 -1.388930663e+00 -1.388930663e+00 3.72 -1.330333056e+00 -1.330333056e+00 3.74 -1.272639672e+00 -1.272639672e+00 3.76 -1.215913996e+00 -1.215913996e+00 3.78 -1.160246795e+00 -1.160246795e+00 3.80 -1.105751219e+00 -1.105751219e+00 3.82 -1.052556218e+00 -1.052556218e+00 3.84 -1.000798738e+00 -1.000798738e+00 3.86 -9.506153216e-01 -9.506153216e-01 3.88 -9.021338587e-01 -9.021338587e-01 3.90 -8.554662077e-01 -8.554662077e-01 3.92 -8.107023041e-01 -8.107023041e-01 3.94 -7.679061942e-01 -7.679061942e-01 3.96 -7.271141806e-01 -7.271141806e-01 3.98 -6.883350327e-01 -6.883350327e-01 4.00 -6.515519903e-01 -6.515519903e-01 4.02 -6.167261369e-01 -6.167261369e-01 4.04 -5.838006340e-01 -5.838006340e-01 4.06 -5.527052969e-01 -5.527052969e-01 4.08 -5.233610475e-01 -5.233610475e-01 4.10 -4.956838836e-01 -4.956838836e-01 4.12 -4.695881385e-01 -4.695881385e-01 4.14 -4.449889334e-01 -4.449889334e-01 4.16 -4.218038647e-01 -4.218038647e-01 4.18 -3.999540354e-01 -3.999540354e-01 4.20 -3.793645869e-01 -3.793645869e-01 4.22 -3.599648749e-01 -3.599648749e-01 4.24 -3.416883910e-01 -3.416883910e-01 4.26 -3.244724785e-01 -3.244724785e-01 4.28 -3.082578605e-01 -3.082578605e-01 4.30 -2.929879918e-01 -2.929879918e-01 4.32 -2.786082823e-01 -2.786082823e-01 4.34 -2.650652767e-01 -2.650652767e-01 4.36 -2.523059153e-01 -2.523059153e-01 4.38 -2.402769999e-01 -2.402769999e-01 4.40 -2.289249564e-01 -2.289249564e-01 4.42 -2.181959265e-01 -2.181959265e-01 4.44 -2.080361572e-01 -2.080361572e-01 4.46 -1.983926058e-01 -1.983926058e-01 4.48 -1.892136594e-01 -1.892136594e-01 4.50 -1.804498678e-01 -1.804498678e-01 4.52 -1.720546169e-01 -1.720546169e-01 4.54 -1.639846970e-01 -1.639846970e-01 4.56 -1.562007501e-01 -1.562007501e-01 4.58 -1.486676003e-01 -1.486676003e-01 4.60 -1.413544813e-01 -1.413544813e-01 4.62 -1.342351760e-01 -1.342351760e-01 4.64 -1.272880783e-01 -1.272880783e-01 4.66 -1.204961826e-01 -1.204961826e-01 4.68 -1.138469977e-01 -1.138469977e-01 4.70 -1.073323812e-01 -1.073323812e-01 4.72 -1.009482898e-01 -1.009482898e-01 4.74 -9.469445183e-02 -9.469445183e-02 4.76 -8.857396967e-02 -8.857396967e-02 4.78 -8.259287780e-02 -8.259287780e-02 4.80 -7.675968058e-02 -7.675968058e-02 4.82 -7.108489999e-02 -7.108489999e-02 4.84 -6.558064580e-02 -6.558064580e-02 4.86 -6.026021995e-02 -6.026021995e-02 4.88 -5.513773255e-02 -5.513773255e-02 4.90 -5.022770159e-02 -5.022770159e-02 4.92 -4.554460748e-02 -4.554460748e-02 4.94 -4.110219734e-02 -4.110219734e-02 4.96 -3.691310932e-02 -3.691310932e-02 4.98 -3.298843017e-02 -3.298843017e-02 5.00 -2.933663756e-02 -2.933663756e-02 5.02 -2.596300359e-02 -2.596300359e-02 5.04 -2.286915109e-02 -2.286915109e-02 5.06 -2.005282021e-02 -2.005282021e-02 5.08 -1.750770698e-02 -1.750770698e-02 5.10 -1.522394921e-02 -1.522394921e-02 5.12 -1.318889618e-02 -1.318889618e-02 5.14 -1.138731000e-02 -1.138731000e-02 5.16 -9.802092512e-03 -9.802092512e-03 5.18 -8.415025326e-03 -8.415025326e-03 5.20 -7.207456780e-03 -7.207456780e-03 5.22 -6.160894152e-03 -6.160894152e-03 5.24 -5.257478773e-03 -5.257478773e-03 5.26 -4.480338396e-03 -4.480338396e-03 5.28 -3.813823687e-03 -3.813823687e-03 5.30 -3.243643557e-03 -3.243643557e-03 5.32 -2.756917871e-03 -2.756917871e-03 5.34 -2.342166764e-03 -2.342166764e-03 5.36 -1.989254425e-03 -1.989254425e-03 5.38 -1.689302759e-03 -1.689302759e-03 5.40 -1.434587383e-03 -1.434587383e-03 5.42 -1.218425534e-03 -1.218425534e-03 5.44 -1.035062866e-03 -1.035062866e-03 5.46 -8.795639352e-04 -8.795639352e-04 5.48 -7.477094369e-04 -7.477094369e-04 5.50 -6.359019338e-04 -6.359019338e-04 5.52 -5.410808764e-04 -5.410808764e-04 5.54 -4.606470296e-04 -4.606470296e-04 5.56 -3.923959895e-04 -3.923959895e-04 5.58 -3.344602027e-04 -3.344602027e-04 5.60 -2.852587558e-04 -2.852587558e-04 5.62 -2.434541404e-04 -2.434541404e-04 5.64 -2.079151957e-04 -2.079151957e-04 5.66 -1.776854666e-04 -1.776854666e-04 5.68 -1.519562665e-04 -1.519562665e-04 5.70 -1.300438026e-04 -1.300438026e-04 5.72 -1.113697885e-04 -1.113697885e-04 5.74 -9.544503718e-05 -9.544503718e-05 5.76 -8.185559422e-05 -8.185559422e-05 5.78 -7.025102699e-05 -7.025102699e-05 5.80 -6.033454216e-05 -6.033454216e-05 5.82 -5.185464938e-05 -5.185464938e-05 5.84 -4.459813113e-05 -4.459813113e-05 5.86 -3.838411480e-05 -3.838411480e-05 5.88 -3.305907408e-05 -3.305907408e-05 5.90 -2.849261357e-05 -2.849261357e-05 5.92 -2.457391297e-05 -2.457391297e-05 5.94 -2.120872689e-05 -2.120872689e-05 5.96 -1.831685243e-05 -1.831685243e-05 5.98 -1.582999090e-05 -1.582999090e-05 6.00 -1.368994121e-05 -1.368994121e-05