# 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 = Co2PdW # 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 2.597661106e+02 2.597661106e+02 1.30 2.393431966e+02 2.393431966e+02 1.32 2.204925215e+02 2.204925215e+02 1.34 2.030961538e+02 2.030961538e+02 1.36 1.870452728e+02 1.870452728e+02 1.38 1.722359577e+02 1.722359577e+02 1.40 1.585678987e+02 1.585678987e+02 1.42 1.459457109e+02 1.459457109e+02 1.44 1.342810365e+02 1.342810365e+02 1.46 1.234938512e+02 1.234938512e+02 1.48 1.135124441e+02 1.135124441e+02 1.50 1.042724061e+02 1.042724061e+02 1.52 9.571537854e+01 9.571537854e+01 1.54 8.778815625e+01 8.778815625e+01 1.56 8.044218905e+01 8.044218905e+01 1.58 7.363320417e+01 7.363320417e+01 1.60 6.732079805e+01 6.732079805e+01 1.62 6.146806687e+01 6.146806687e+01 1.64 5.604134605e+01 5.604134605e+01 1.66 5.101000152e+01 5.101000152e+01 1.68 4.634616891e+01 4.634616891e+01 1.70 4.202443712e+01 4.202443712e+01 1.72 3.802186807e+01 3.802186807e+01 1.74 3.431647227e+01 3.431647227e+01 1.76 3.088937744e+01 3.088937744e+01 1.78 2.773522910e+01 2.773522910e+01 1.80 2.483665124e+01 2.483665124e+01 1.82 2.217305383e+01 2.217305383e+01 1.84 1.972507178e+01 1.972507178e+01 1.86 1.747500565e+01 1.747500565e+01 1.88 1.540686644e+01 1.540686644e+01 1.90 1.350631393e+01 1.350631393e+01 1.92 1.176050156e+01 1.176050156e+01 1.94 1.015787164e+01 1.015787164e+01 1.96 8.687945988e+00 8.687945988e+00 1.98 7.341130167e+00 7.341130167e+00 2.00 6.108535415e+00 6.108535415e+00 2.02 4.981827025e+00 4.981827025e+00 2.04 3.953107964e+00 3.953107964e+00 2.06 3.014837919e+00 3.014837919e+00 2.08 2.159786866e+00 2.159786866e+00 2.10 1.381026951e+00 1.381026951e+00 2.12 6.719652360e-01 6.719652360e-01 2.14 2.641058822e-02 2.641058822e-02 2.16 -5.613433684e-01 -5.613433684e-01 2.18 -1.096444469e+00 -1.096444469e+00 2.20 -1.583441701e+00 -1.583441701e+00 2.22 -2.026292567e+00 -2.026292567e+00 2.24 -2.428416532e+00 -2.428416532e+00 2.26 -2.792697694e+00 -2.792697694e+00 2.28 -3.121748715e+00 -3.121748715e+00 2.30 -3.418063700e+00 -3.418063700e+00 2.32 -3.683899633e+00 -3.683899633e+00 2.34 -3.921345447e+00 -3.921345447e+00 2.36 -4.132369470e+00 -4.132369470e+00 2.38 -4.318845204e+00 -4.318845204e+00 2.40 -4.482400732e+00 -4.482400732e+00 2.42 -4.624362488e+00 -4.624362488e+00 2.44 -4.746073576e+00 -4.746073576e+00 2.46 -4.848896556e+00 -4.848896556e+00 2.48 -4.934186369e+00 -4.934186369e+00 2.50 -5.003267238e+00 -5.003267238e+00 2.52 -5.057413424e+00 -5.057413424e+00 2.54 -5.097836316e+00 -5.097836316e+00 2.56 -5.125679747e+00 -5.125679747e+00 2.58 -5.142020841e+00 -5.142020841e+00 2.60 -5.147869436e+00 -5.147869436e+00 2.62 -5.144181217e+00 -5.144181217e+00 2.64 -5.131872736e+00 -5.131872736e+00 2.66 -5.111609598e+00 -5.111609598e+00 2.68 -5.084166560e+00 -5.084166560e+00 2.70 -5.050284706e+00 -5.050284706e+00 2.72 -5.010134746e+00 -5.010134746e+00 2.74 -4.963878518e+00 -4.963878518e+00 2.76 -4.911688907e+00 -4.911688907e+00 2.78 -4.853753275e+00 -4.853753275e+00 2.80 -4.790221902e+00 -4.790221902e+00 2.82 -4.721233113e+00 -4.721233113e+00 2.84 -4.647048576e+00 -4.647048576e+00 2.86 -4.567980760e+00 -4.567980760e+00 2.88 -4.484386799e+00 -4.484386799e+00 2.90 -4.396671610e+00 -4.396671610e+00 2.92 -4.305288557e+00 -4.305288557e+00 2.94 -4.210736155e+00 -4.210736155e+00 2.96 -4.113550053e+00 -4.113550053e+00 2.98 -4.014290433e+00 -4.014290433e+00 3.00 -3.913525626e+00 -3.913525626e+00 3.02 -3.811813053e+00 -3.811813053e+00 3.04 -3.709678714e+00 -3.709678714e+00 3.06 -3.607596803e+00 -3.607596803e+00 3.08 -3.505971614e+00 -3.505971614e+00 3.10 -3.405124312e+00 -3.405124312e+00 3.12 -3.305286787e+00 -3.305286787e+00 3.14 -3.206603544e+00 -3.206603544e+00 3.16 -3.109140922e+00 -3.109140922e+00 3.18 -3.012901589e+00 -3.012901589e+00 3.20 -2.917841782e+00 -2.917841782e+00 3.22 -2.823889040e+00 -2.823889040e+00 3.24 -2.730958844e+00 -2.730958844e+00 3.26 -2.638969335e+00 -2.638969335e+00 3.28 -2.547853793e+00 -2.547853793e+00 3.30 -2.457570851e+00 -2.457570851e+00 3.32 -2.368112498e+00 -2.368112498e+00 3.34 -2.279509861e+00 -2.279509861e+00 3.36 -2.191836648e+00 -2.191836648e+00 3.38 -2.105210048e+00 -2.105210048e+00 3.40 -2.019788852e+00 -2.019788852e+00 3.42 -1.935768634e+00 -1.935768634e+00 3.44 -1.853374046e+00 -1.853374046e+00 3.46 -1.772848551e+00 -1.772848551e+00 3.48 -1.694442262e+00 -1.694442262e+00 3.50 -1.618398836e+00 -1.618398836e+00 3.52 -1.544942569e+00 -1.544942569e+00 3.54 -1.474266855e+00 -1.474266855e+00 3.56 -1.406525004e+00 -1.406525004e+00 3.58 -1.341824134e+00 -1.341824134e+00 3.60 -1.280222417e+00 -1.280222417e+00 3.62 -1.221729594e+00 -1.221729594e+00 3.64 -1.166310300e+00 -1.166310300e+00 3.66 -1.113889536e+00 -1.113889536e+00 3.68 -1.064359502e+00 -1.064359502e+00 3.70 -1.017587053e+00 -1.017587053e+00 3.72 -9.734211090e-01 -9.734211090e-01 3.74 -9.316995311e-01 -9.316995311e-01 3.76 -8.922551324e-01 -8.922551324e-01 3.78 -8.549206545e-01 -8.549206545e-01 3.80 -8.195326656e-01 -8.195326656e-01 3.82 -7.859344425e-01 -7.859344425e-01 3.84 -7.539779539e-01 -7.539779539e-01 3.86 -7.235251044e-01 -7.235251044e-01 3.88 -6.944484065e-01 -6.944484065e-01 3.90 -6.666312425e-01 -6.666312425e-01 3.92 -6.399678617e-01 -6.399678617e-01 3.94 -6.143632301e-01 -6.143632301e-01 3.96 -5.897328158e-01 -5.897328158e-01 3.98 -5.660023651e-01 -5.660023651e-01 4.00 -5.431076781e-01 -5.431076781e-01 4.02 -5.209943663e-01 -5.209943663e-01 4.04 -4.996175446e-01 -4.996175446e-01 4.06 -4.789413937e-01 -4.789413937e-01 4.08 -4.589385321e-01 -4.589385321e-01 4.10 -4.395891553e-01 -4.395891553e-01 4.12 -4.208799404e-01 -4.208799404e-01 4.14 -4.028027538e-01 -4.028027538e-01 4.16 -3.853532574e-01 -3.853532574e-01 4.18 -3.685295205e-01 -3.685295205e-01 4.20 -3.523307460e-01 -3.523307460e-01 4.22 -3.367561832e-01 -3.367561832e-01 4.24 -3.218042455e-01 -3.218042455e-01 4.26 -3.074717951e-01 -3.074717951e-01 4.28 -2.937535284e-01 -2.937535284e-01 4.30 -2.806414025e-01 -2.806414025e-01 4.32 -2.681240840e-01 -2.681240840e-01 4.34 -2.561864542e-01 -2.561864542e-01 4.36 -2.448092528e-01 -2.448092528e-01 4.38 -2.339689525e-01 -2.339689525e-01 4.40 -2.236379333e-01 -2.236379333e-01 4.42 -2.137849739e-01 -2.137849739e-01 4.44 -2.043760162e-01 -2.043760162e-01 4.46 -1.953751183e-01 -1.953751183e-01 4.48 -1.867454892e-01 -1.867454892e-01 4.50 -1.784505068e-01 -1.784505068e-01 4.52 -1.704546440e-01 -1.704546440e-01 4.54 -1.627242624e-01 -1.627242624e-01 4.56 -1.552282578e-01 -1.552282578e-01 4.58 -1.479385655e-01 -1.479385655e-01 4.60 -1.408305398e-01 -1.408305398e-01 4.62 -1.338832282e-01 -1.338832282e-01 4.64 -1.270795497e-01 -1.270795497e-01 4.66 -1.204063872e-01 -1.204063872e-01 4.68 -1.138545901e-01 -1.138545901e-01 4.70 -1.074188873e-01 -1.074188873e-01 4.72 -1.010977073e-01 -1.010977073e-01 4.74 -9.489290977e-02 -9.489290977e-02 4.76 -8.880944304e-02 -8.880944304e-02 4.78 -8.285494872e-02 -8.285494872e-02 4.80 -7.703934154e-02 -7.703934154e-02 4.82 -7.137439331e-02 -7.137439331e-02 4.84 -6.587333442e-02 -6.587333442e-02 4.86 -6.055048387e-02 -6.055048387e-02 4.88 -5.542088617e-02 -5.542088617e-02 4.90 -5.049992715e-02 -5.049992715e-02 4.92 -4.580289581e-02 -4.580289581e-02 4.94 -4.134425178e-02 -4.134425178e-02 4.96 -3.713739501e-02 -3.713739501e-02 4.98 -3.319403473e-02 -3.319403473e-02 5.00 -2.952320183e-02 -2.952320183e-02 5.02 -2.613065067e-02 -2.613065067e-02 5.04 -2.301840891e-02 -2.301840891e-02 5.06 -2.018454052e-02 -2.018454052e-02 5.08 -1.762299056e-02 -1.762299056e-02 5.10 -1.532406858e-02 -1.532406858e-02 5.12 -1.327521344e-02 -1.327521344e-02 5.14 -1.146121832e-02 -1.146121832e-02 5.16 -9.864968315e-03 -9.864968315e-03 5.18 -8.468191217e-03 -8.468191217e-03 5.20 -7.252154879e-03 -7.252154879e-03 5.22 -6.198268761e-03 -6.198268761e-03 5.24 -5.288566971e-03 -5.288566971e-03 5.26 -4.506066993e-03 -4.506066993e-03 5.28 -3.835010991e-03 -3.835010991e-03 5.30 -3.261004544e-03 -3.261004544e-03 5.32 -2.771071574e-03 -2.771071574e-03 5.34 -2.353644902e-03 -2.353644902e-03 5.36 -1.998510551e-03 -1.998510551e-03 5.38 -1.696721388e-03 -1.696721388e-03 5.40 -1.440492732e-03 -1.440492732e-03 5.42 -1.223089657e-03 -1.223089657e-03 5.44 -1.038713049e-03 -1.038713049e-03 5.46 -8.823893084e-04 -8.823893084e-04 5.48 -7.498667981e-04 -7.498667981e-04 5.50 -6.375208262e-04 -6.375208262e-04 5.52 -5.422679704e-04 -5.422679704e-04 5.54 -4.614898759e-04 -4.614898759e-04 5.56 -3.929662131e-04 -3.929662131e-04 5.58 -3.348162061e-04 -3.348162061e-04 5.60 -2.854479955e-04 -2.854479955e-04 5.62 -2.435150362e-04 -2.435150362e-04 5.64 -2.078787275e-04 -2.078787275e-04 5.66 -1.775765041e-04 -1.775765041e-04 5.68 -1.517946747e-04 -1.517946747e-04 5.70 -1.298453577e-04 -1.298453577e-04 5.72 -1.111469352e-04 -1.111469352e-04 5.74 -9.520751397e-05 -9.520751397e-05 5.76 -8.161094788e-05 -8.161094788e-05 5.78 -7.000503537e-05 -7.000503537e-05 5.80 -6.009156102e-05 -6.009156102e-05 5.82 -5.161789612e-05 -5.161789612e-05 5.84 -4.436991650e-05 -4.436991650e-05 5.86 -3.816603166e-05 -3.816603166e-05 5.88 -3.285215086e-05 -3.285215086e-05 5.90 -2.829743856e-05 -2.829743856e-05 5.92 -2.439073484e-05 -2.439073484e-05 5.94 -2.103753560e-05 -2.103753560e-05 5.96 -1.815744416e-05 -1.815744416e-05 5.98 -1.568201987e-05 -1.568201987e-05 6.00 -1.355296094e-05 -1.355296094e-05