# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Cu2NiPt # 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 2022-05-24 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 4.684558443e+02 4.684558443e+02 0.98 4.277776822e+02 4.277776822e+02 1.00 3.908010304e+02 3.908010304e+02 1.02 3.571541555e+02 3.571541555e+02 1.04 3.265148275e+02 3.265148275e+02 1.06 2.985887078e+02 2.985887078e+02 1.08 2.731251972e+02 2.731251972e+02 1.10 2.498941189e+02 2.498941189e+02 1.12 2.286897409e+02 2.286897409e+02 1.14 2.093231917e+02 2.093231917e+02 1.16 1.916315844e+02 1.916315844e+02 1.18 1.754659786e+02 1.754659786e+02 1.20 1.606905502e+02 1.606905502e+02 1.22 1.471778977e+02 1.471778977e+02 1.24 1.348227973e+02 1.348227973e+02 1.26 1.235218479e+02 1.235218479e+02 1.28 1.131817865e+02 1.131817865e+02 1.30 1.037155417e+02 1.037155417e+02 1.32 9.504588449e+01 9.504588449e+01 1.34 8.710494302e+01 8.710494302e+01 1.36 7.982948362e+01 7.982948362e+01 1.38 7.315951934e+01 7.315951934e+01 1.40 6.704399312e+01 6.704399312e+01 1.42 6.143260985e+01 6.143260985e+01 1.44 5.628109708e+01 5.628109708e+01 1.46 5.154900390e+01 5.154900390e+01 1.48 4.720146364e+01 4.720146364e+01 1.50 4.320651540e+01 4.320651540e+01 1.52 3.953377066e+01 3.953377066e+01 1.54 3.615445646e+01 3.615445646e+01 1.56 3.304423984e+01 3.304423984e+01 1.58 3.018063485e+01 3.018063485e+01 1.60 2.754344958e+01 2.754344958e+01 1.62 2.511260747e+01 2.511260747e+01 1.64 2.287209358e+01 2.287209358e+01 1.66 2.080529585e+01 2.080529585e+01 1.68 1.889802980e+01 1.889802980e+01 1.70 1.713798916e+01 1.713798916e+01 1.72 1.551411494e+01 1.551411494e+01 1.74 1.401559422e+01 1.401559422e+01 1.76 1.261352220e+01 1.261352220e+01 1.78 1.132597733e+01 1.132597733e+01 1.80 1.012961391e+01 1.012961391e+01 1.82 9.019017038e+00 9.019017038e+00 1.84 7.960167833e+00 7.960167833e+00 1.86 6.994316000e+00 6.994316000e+00 1.88 6.083506200e+00 6.083506200e+00 1.90 5.224999082e+00 5.224999082e+00 1.92 4.415889593e+00 4.415889593e+00 1.94 3.653156009e+00 3.653156009e+00 1.96 2.937066391e+00 2.937066391e+00 1.98 2.265148850e+00 2.265148850e+00 2.00 1.636060119e+00 1.636060119e+00 2.02 1.048522862e+00 1.048522862e+00 2.04 5.011201838e-01 5.011201838e-01 2.06 -7.671889479e-03 -7.671889479e-03 2.08 -4.799392840e-01 -4.799392840e-01 2.10 -9.170699011e-01 -9.170699011e-01 2.12 -1.320625896e+00 -1.320625896e+00 2.14 -1.691946333e+00 -1.691946333e+00 2.16 -2.032735049e+00 -2.032735049e+00 2.18 -2.344184176e+00 -2.344184176e+00 2.20 -2.627590398e+00 -2.627590398e+00 2.22 -2.884382196e+00 -2.884382196e+00 2.24 -3.116054474e+00 -3.116054474e+00 2.26 -3.322777788e+00 -3.322777788e+00 2.28 -3.506940124e+00 -3.506940124e+00 2.30 -3.670183160e+00 -3.670183160e+00 2.32 -3.813646014e+00 -3.813646014e+00 2.34 -3.938540212e+00 -3.938540212e+00 2.36 -4.046117280e+00 -4.046117280e+00 2.38 -4.137494827e+00 -4.137494827e+00 2.40 -4.213753613e+00 -4.213753613e+00 2.42 -4.276113687e+00 -4.276113687e+00 2.44 -4.325388132e+00 -4.325388132e+00 2.46 -4.362517035e+00 -4.362517035e+00 2.48 -4.387951326e+00 -4.387951326e+00 2.50 -4.402955554e+00 -4.402955554e+00 2.52 -4.408711498e+00 -4.408711498e+00 2.54 -4.405824686e+00 -4.405824686e+00 2.56 -4.394878945e+00 -4.394878945e+00 2.58 -4.376530924e+00 -4.376530924e+00 2.60 -4.353063855e+00 -4.353063855e+00 2.62 -4.323917665e+00 -4.323917665e+00 2.64 -4.289181197e+00 -4.289181197e+00 2.66 -4.249447028e+00 -4.249447028e+00 2.68 -4.205214454e+00 -4.205214454e+00 2.70 -4.156903120e+00 -4.156903120e+00 2.72 -4.104955314e+00 -4.104955314e+00 2.74 -4.049648722e+00 -4.049648722e+00 2.76 -3.991166306e+00 -3.991166306e+00 2.78 -3.930417600e+00 -3.930417600e+00 2.80 -3.867642782e+00 -3.867642782e+00 2.82 -3.802439466e+00 -3.802439466e+00 2.84 -3.734621325e+00 -3.734621325e+00 2.86 -3.665552677e+00 -3.665552677e+00 2.88 -3.594847027e+00 -3.594847027e+00 2.90 -3.523385376e+00 -3.523385376e+00 2.92 -3.451389212e+00 -3.451389212e+00 2.94 -3.379051477e+00 -3.379051477e+00 2.96 -3.306803376e+00 -3.306803376e+00 2.98 -3.234500301e+00 -3.234500301e+00 3.00 -3.162273517e+00 -3.162273517e+00 3.02 -3.090251300e+00 -3.090251300e+00 3.04 -3.018910072e+00 -3.018910072e+00 3.06 -2.948465227e+00 -2.948465227e+00 3.08 -2.878485962e+00 -2.878485962e+00 3.10 -2.809063866e+00 -2.809063866e+00 3.12 -2.740275268e+00 -2.740275268e+00 3.14 -2.672188515e+00 -2.672188515e+00 3.16 -2.604864580e+00 -2.604864580e+00 3.18 -2.538357615e+00 -2.538357615e+00 3.20 -2.472715476e+00 -2.472715476e+00 3.22 -2.407980214e+00 -2.407980214e+00 3.24 -2.344185803e+00 -2.344185803e+00 3.26 -2.281699288e+00 -2.281699288e+00 3.28 -2.220315522e+00 -2.220315522e+00 3.30 -2.159932051e+00 -2.159932051e+00 3.32 -2.100569245e+00 -2.100569245e+00 3.34 -2.042242232e+00 -2.042242232e+00 3.36 -1.984987707e+00 -1.984987707e+00 3.38 -1.928769722e+00 -1.928769722e+00 3.40 -1.873556890e+00 -1.873556890e+00 3.42 -1.819279205e+00 -1.819279205e+00 3.44 -1.765757086e+00 -1.765757086e+00 3.46 -1.713086406e+00 -1.713086406e+00 3.48 -1.661503123e+00 -1.661503123e+00 3.50 -1.611052448e+00 -1.611052448e+00 3.52 -1.561664213e+00 -1.561664213e+00 3.54 -1.513288588e+00 -1.513288588e+00 3.56 -1.465915508e+00 -1.465915508e+00 3.58 -1.419582703e+00 -1.419582703e+00 3.60 -1.374321823e+00 -1.374321823e+00 3.62 -1.330135007e+00 -1.330135007e+00 3.64 -1.287000215e+00 -1.287000215e+00 3.66 -1.244897182e+00 -1.244897182e+00 3.68 -1.203809103e+00 -1.203809103e+00 3.70 -1.163723188e+00 -1.163723188e+00 3.72 -1.124621863e+00 -1.124621863e+00 3.74 -1.086488816e+00 -1.086488816e+00 3.76 -1.049315014e+00 -1.049315014e+00 3.78 -1.013081013e+00 -1.013081013e+00 3.80 -9.777609541e-01 -9.777609541e-01 3.82 -9.433369964e-01 -9.433369964e-01 3.84 -9.098004606e-01 -9.098004606e-01 3.86 -8.771530124e-01 -8.771530124e-01 3.88 -8.453517287e-01 -8.453517287e-01 3.90 -8.142905893e-01 -8.142905893e-01 3.92 -7.839841983e-01 -7.839841983e-01 3.94 -7.544355215e-01 -7.544355215e-01 3.96 -7.257300850e-01 -7.257300850e-01 3.98 -6.979331922e-01 -6.979331922e-01 4.00 -6.710906106e-01 -6.710906106e-01 4.02 -6.452736870e-01 -6.452736870e-01 4.04 -6.205713397e-01 -6.205713397e-01 4.06 -5.968115579e-01 -5.968115579e-01 4.08 -5.738651999e-01 -5.738651999e-01 4.10 -5.514829022e-01 -5.514829022e-01 4.12 -5.294681107e-01 -5.294681107e-01 4.14 -5.076849968e-01 -5.076849968e-01 4.16 -4.861175111e-01 -4.861175111e-01 4.18 -4.651027009e-01 -4.651027009e-01 4.20 -4.441431941e-01 -4.441431941e-01 4.22 -4.232346167e-01 -4.232346167e-01 4.24 -4.023594339e-01 -4.023594339e-01 4.26 -3.815036981e-01 -3.815036981e-01 4.28 -3.607058237e-01 -3.607058237e-01 4.30 -3.410320803e-01 -3.410320803e-01 4.32 -3.220599273e-01 -3.220599273e-01 4.34 -3.034795371e-01 -3.034795371e-01 4.36 -2.853876703e-01 -2.853876703e-01 4.38 -2.678491127e-01 -2.678491127e-01 4.40 -2.509105156e-01 -2.509105156e-01 4.42 -2.346036028e-01 -2.346036028e-01 4.44 -2.189478635e-01 -2.189478635e-01 4.46 -2.039528264e-01 -2.039528264e-01 4.48 -1.896199739e-01 -1.896199739e-01 4.50 -1.759443526e-01 -1.759443526e-01 4.52 -1.629159219e-01 -1.629159219e-01 4.54 -1.505206802e-01 -1.505206802e-01 4.56 -1.387416031e-01 -1.387416031e-01 4.58 -1.275605080e-01 -1.275605080e-01 4.60 -1.171823166e-01 -1.171823166e-01 4.62 -1.075609460e-01 -1.075609460e-01 4.64 -9.843969300e-02 -9.843969300e-02 4.66 -8.979713615e-02 -8.979713615e-02 4.68 -8.161193294e-02 -8.161193294e-02 4.70 -7.386299688e-02 -7.386299688e-02 4.72 -6.652963738e-02 -6.652963738e-02 4.74 -5.959166832e-02 -5.959166832e-02 4.76 -5.302948836e-02 -5.302948836e-02 4.78 -4.682748767e-02 -4.682748767e-02 4.80 -4.098494721e-02 -4.098494721e-02 4.82 -3.599473146e-02 -3.599473146e-02 4.84 -3.129765110e-02 -3.129765110e-02 4.86 -2.685699873e-02 -2.685699873e-02 4.88 -2.265776580e-02 -2.265776580e-02 4.90 -1.868718900e-02 -1.868718900e-02 4.92 -1.493230764e-02 -1.493230764e-02 4.94 -1.130802974e-02 -1.130802974e-02 4.96 -9.187246794e-03 -9.187246794e-03 4.98 -8.404475531e-03 -8.404475531e-03 5.00 -7.613577713e-03 -7.613577713e-03 5.02 -6.867710575e-03 -6.867710575e-03 5.04 -6.164733405e-03 -6.164733405e-03 5.06 -5.502261674e-03 -5.502261674e-03 5.08 -4.878038089e-03 -4.878038089e-03 5.10 -4.289926275e-03 -4.289926275e-03 5.12 -3.735904702e-03 -3.735904702e-03 5.14 -3.214060864e-03 -3.214060864e-03 5.16 -2.722585712e-03 -2.722585712e-03 5.18 -2.259768338e-03 -2.259768338e-03 5.20 -1.823990887e-03 -1.823990887e-03 5.22 -1.413723715e-03 -1.413723715e-03 5.24 -1.027520769e-03 -1.027520769e-03 5.26 -6.640152018e-04 -6.640152018e-04 5.28 -3.221228551e-04 -3.221228551e-04 5.30 -5.011486015e-16 -5.005748140e-16 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00