# 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 = PdPt2Ta # 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 4.420787395e+02 4.420787395e+02 1.30 4.129594659e+02 4.129594659e+02 1.32 3.858031475e+02 3.858031475e+02 1.34 3.604652765e+02 3.604652765e+02 1.36 3.368013396e+02 3.368013396e+02 1.38 3.146733393e+02 3.146733393e+02 1.40 2.939577139e+02 2.939577139e+02 1.42 2.745494839e+02 2.745494839e+02 1.44 2.563586904e+02 2.563586904e+02 1.46 2.393038464e+02 2.393038464e+02 1.48 2.233096240e+02 2.233096240e+02 1.50 2.083081720e+02 2.083081720e+02 1.52 1.942388532e+02 1.942388532e+02 1.54 1.810449924e+02 1.810449924e+02 1.56 1.686704920e+02 1.686704920e+02 1.58 1.570587076e+02 1.570587076e+02 1.60 1.461533685e+02 1.461533685e+02 1.62 1.359000882e+02 1.359000882e+02 1.64 1.262475598e+02 1.262475598e+02 1.66 1.171485241e+02 1.171485241e+02 1.68 1.085608424e+02 1.085608424e+02 1.70 1.004483890e+02 1.004483890e+02 1.72 9.278087893e+01 9.278087893e+01 1.74 8.553205395e+01 8.553205395e+01 1.76 7.867688724e+01 7.867688724e+01 1.78 7.218946317e+01 7.218946317e+01 1.80 6.604363376e+01 6.604363376e+01 1.82 6.021627100e+01 6.021627100e+01 1.84 5.468363622e+01 5.468363622e+01 1.86 4.943852693e+01 4.943852693e+01 1.88 4.455934970e+01 4.455934970e+01 1.90 4.005920527e+01 4.005920527e+01 1.92 3.591707662e+01 3.591707662e+01 1.94 3.211245069e+01 3.211245069e+01 1.96 2.862441582e+01 2.862441582e+01 1.98 2.543172845e+01 2.543172845e+01 2.00 2.251326535e+01 2.251326535e+01 2.02 1.984838922e+01 1.984838922e+01 2.04 1.741711595e+01 1.741711595e+01 2.06 1.520020110e+01 1.520020110e+01 2.08 1.317926228e+01 1.317926228e+01 2.10 1.133694920e+01 1.133694920e+01 2.12 9.657105737e+00 9.657105737e+00 2.14 8.124876858e+00 8.124876858e+00 2.16 6.726755239e+00 6.726755239e+00 2.18 5.450583398e+00 5.450583398e+00 2.20 4.285520341e+00 4.285520341e+00 2.22 3.221970793e+00 3.221970793e+00 2.24 2.251476390e+00 2.251476390e+00 2.26 1.366577869e+00 1.366577869e+00 2.28 5.606642084e-01 5.606642084e-01 2.30 -1.721748983e-01 -1.721748983e-01 2.32 -8.372805572e-01 -8.372805572e-01 2.34 -1.439532692e+00 -1.439532692e+00 2.36 -1.983432453e+00 -1.983432453e+00 2.38 -2.473162221e+00 -2.473162221e+00 2.40 -2.912630625e+00 -2.912630625e+00 2.42 -3.305511377e+00 -3.305511377e+00 2.44 -3.655282312e+00 -3.655282312e+00 2.46 -3.965266138e+00 -3.965266138e+00 2.48 -4.238669228e+00 -4.238669228e+00 2.50 -4.478601027e+00 -4.478601027e+00 2.52 -4.687995589e+00 -4.687995589e+00 2.54 -4.869883865e+00 -4.869883865e+00 2.56 -5.027188573e+00 -5.027188573e+00 2.58 -5.162591095e+00 -5.162591095e+00 2.60 -5.278468298e+00 -5.278468298e+00 2.62 -5.376853921e+00 -5.376853921e+00 2.64 -5.459443012e+00 -5.459443012e+00 2.66 -5.529136255e+00 -5.529136255e+00 2.68 -5.587683437e+00 -5.587683437e+00 2.70 -5.635286681e+00 -5.635286681e+00 2.72 -5.672158865e+00 -5.672158865e+00 2.74 -5.698531359e+00 -5.698531359e+00 2.76 -5.714656935e+00 -5.714656935e+00 2.78 -5.720810037e+00 -5.720810037e+00 2.80 -5.717286446e+00 -5.717286446e+00 2.82 -5.704404507e+00 -5.704404507e+00 2.84 -5.682509665e+00 -5.682509665e+00 2.86 -5.651983023e+00 -5.651983023e+00 2.88 -5.613253409e+00 -5.613253409e+00 2.90 -5.566810816e+00 -5.566810816e+00 2.92 -5.513404061e+00 -5.513404061e+00 2.94 -5.453780353e+00 -5.453780353e+00 2.96 -5.388520620e+00 -5.388520620e+00 2.98 -5.318274128e+00 -5.318274128e+00 3.00 -5.243722161e+00 -5.243722161e+00 3.02 -5.165533956e+00 -5.165533956e+00 3.04 -5.084323281e+00 -5.084323281e+00 3.06 -5.000614313e+00 -5.000614313e+00 3.08 -4.914822927e+00 -4.914822927e+00 3.10 -4.827271415e+00 -4.827271415e+00 3.12 -4.738212092e+00 -4.738212092e+00 3.14 -4.647816148e+00 -4.647816148e+00 3.16 -4.556195311e+00 -4.556195311e+00 3.18 -4.463426381e+00 -4.463426381e+00 3.20 -4.369572537e+00 -4.369572537e+00 3.22 -4.274700343e+00 -4.274700343e+00 3.24 -4.178892168e+00 -4.178892168e+00 3.26 -4.082254115e+00 -4.082254115e+00 3.28 -3.984919644e+00 -3.984919644e+00 3.30 -3.887049114e+00 -3.887049114e+00 3.32 -3.788825643e+00 -3.788825643e+00 3.34 -3.690447887e+00 -3.690447887e+00 3.36 -3.592120697e+00 -3.592120697e+00 3.38 -3.494044810e+00 -3.494044810e+00 3.40 -3.396406846e+00 -3.396406846e+00 3.42 -3.299370759e+00 -3.299370759e+00 3.44 -3.203071551e+00 -3.203071551e+00 3.46 -3.107611705e+00 -3.107611705e+00 3.48 -3.013060325e+00 -3.013060325e+00 3.50 -2.919454689e+00 -2.919454689e+00 3.52 -2.826807474e+00 -2.826807474e+00 3.54 -2.735195276e+00 -2.735195276e+00 3.56 -2.644755629e+00 -2.644755629e+00 3.58 -2.555601750e+00 -2.555601750e+00 3.60 -2.467826948e+00 -2.467826948e+00 3.62 -2.381512453e+00 -2.381512453e+00 3.64 -2.296734185e+00 -2.296734185e+00 3.66 -2.213568274e+00 -2.213568274e+00 3.68 -2.132095168e+00 -2.132095168e+00 3.70 -2.052402174e+00 -2.052402174e+00 3.72 -1.974584305e+00 -1.974584305e+00 3.74 -1.898743349e+00 -1.898743349e+00 3.76 -1.824985234e+00 -1.824985234e+00 3.78 -1.753415863e+00 -1.753415863e+00 3.80 -1.684135810e+00 -1.684135810e+00 3.82 -1.617234398e+00 -1.617234398e+00 3.84 -1.552783826e+00 -1.552783826e+00 3.86 -1.490834022e+00 -1.490834022e+00 3.88 -1.431408844e+00 -1.431408844e+00 3.90 -1.374504092e+00 -1.374504092e+00 3.92 -1.320087555e+00 -1.320087555e+00 3.94 -1.268101087e+00 -1.268101087e+00 3.96 -1.218464418e+00 -1.218464418e+00 3.98 -1.171080300e+00 -1.171080300e+00 4.00 -1.125840412e+00 -1.125840412e+00 4.02 -1.082631474e+00 -1.082631474e+00 4.04 -1.041340986e+00 -1.041340986e+00 4.06 -1.001862160e+00 -1.001862160e+00 4.08 -9.640976326e-01 -9.640976326e-01 4.10 -9.279617416e-01 -9.279617416e-01 4.12 -8.933812732e-01 -8.933812732e-01 4.14 -8.602946395e-01 -8.602946395e-01 4.16 -8.286498305e-01 -8.286498305e-01 4.18 -7.984013779e-01 -7.984013779e-01 4.20 -7.695068303e-01 -7.695068303e-01 4.22 -7.419232294e-01 -7.419232294e-01 4.24 -7.156040475e-01 -7.156040475e-01 4.26 -6.904969398e-01 -6.904969398e-01 4.28 -6.665425045e-01 -6.665425045e-01 4.30 -6.436740627e-01 -6.436740627e-01 4.32 -6.218183196e-01 -6.218183196e-01 4.34 -6.008966605e-01 -6.008966605e-01 4.36 -5.808268004e-01 -5.808268004e-01 4.38 -5.615245202e-01 -5.615245202e-01 4.40 -5.429052857e-01 -5.429052857e-01 4.42 -5.248856209e-01 -5.248856209e-01 4.44 -5.073841832e-01 -5.073841832e-01 4.46 -4.903225495e-01 -4.903225495e-01 4.48 -4.736257679e-01 -4.736257679e-01 4.50 -4.572227498e-01 -4.572227498e-01 4.52 -4.410465911e-01 -4.410465911e-01 4.54 -4.250349039e-01 -4.250349039e-01 4.56 -4.091302361e-01 -4.091302361e-01 4.58 -3.932806353e-01 -3.932806353e-01 4.60 -3.774403995e-01 -3.774403995e-01 4.62 -3.615710310e-01 -3.615710310e-01 4.64 -3.456423836e-01 -3.456423836e-01 4.66 -3.296339633e-01 -3.296339633e-01 4.68 -3.135363054e-01 -3.135363054e-01 4.70 -2.973523161e-01 -2.973523161e-01 4.72 -2.810984327e-01 -2.810984327e-01 4.74 -2.648054285e-01 -2.648054285e-01 4.76 -2.485186804e-01 -2.485186804e-01 4.78 -2.322977263e-01 -2.322977263e-01 4.80 -2.162149807e-01 -2.162149807e-01 4.82 -2.003535502e-01 -2.003535502e-01 4.84 -1.848041736e-01 -1.848041736e-01 4.86 -1.696614701e-01 -1.696614701e-01 4.88 -1.550196801e-01 -1.550196801e-01 4.90 -1.409682880e-01 -1.409682880e-01 4.92 -1.275878830e-01 -1.275878830e-01 4.94 -1.149470662e-01 -1.149470662e-01 4.96 -1.030997434e-01 -1.030997434e-01 4.98 -9.208142351e-02 -9.208142351e-02 5.00 -8.191070857e-02 -8.191070857e-02 5.02 -7.258986435e-02 -7.258986435e-02 5.04 -6.410615111e-02 -6.410615111e-02 5.06 -5.643381732e-02 -5.643381732e-02 5.08 -4.953649747e-02 -4.953649747e-02 5.10 -4.336976851e-02 -4.336976851e-02 5.12 -3.788365705e-02 -3.788365705e-02 5.14 -3.302492616e-02 -3.302492616e-02 5.16 -2.873908551e-02 -2.873908551e-02 5.18 -2.497203777e-02 -2.497203777e-02 5.20 -2.167136219e-02 -2.167136219e-02 5.22 -1.878722732e-02 -1.878722732e-02 5.24 -1.627302312e-02 -1.627302312e-02 5.26 -1.408565123e-02 -1.408565123e-02 5.28 -1.218558974e-02 -1.218558974e-02 5.30 -1.053761982e-02 -1.053761982e-02 5.32 -9.110118887e-03 -9.110118887e-03 5.34 -7.874858048e-03 -7.874858048e-03 5.36 -6.806808365e-03 -6.806808365e-03 5.38 -5.883902113e-03 -5.883902113e-03 5.40 -5.086772404e-03 -5.086772404e-03 5.42 -4.398487752e-03 -4.398487752e-03 5.44 -3.804292794e-03 -3.804292794e-03 5.46 -3.291362319e-03 -3.291362319e-03 5.48 -2.848572856e-03 -2.848572856e-03 5.50 -2.466293922e-03 -2.466293922e-03 5.52 -2.136199590e-03 -2.136199590e-03 5.54 -1.851100063e-03 -1.851100063e-03 5.56 -1.604792273e-03 -1.604792273e-03 5.58 -1.391928215e-03 -1.391928215e-03 5.60 -1.207899488e-03 -1.207899488e-03 5.62 -1.048736474e-03 -1.048736474e-03 5.64 -9.110206066e-04 -9.110206066e-04 5.66 -7.918082363e-04 -7.918082363e-04 5.68 -6.885647169e-04 -6.885647169e-04 5.70 -5.991074460e-04 -5.991074460e-04 5.72 -5.215567191e-04 -5.215567191e-04 5.74 -4.542933770e-04 -4.542933770e-04 5.76 -3.959223424e-04 -3.959223424e-04 5.78 -3.452412515e-04 -3.452412515e-04 5.80 -3.012134839e-04 -3.012134839e-04 5.82 -2.629449827e-04 -2.629449827e-04 5.84 -2.296643396e-04 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