# 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 = Ag2PdPt # 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 nan nan 0.98 8.069251689e+02 8.069251689e+02 1.00 7.401020035e+02 7.401020035e+02 1.02 6.794858801e+02 6.794858801e+02 1.04 6.244375102e+02 6.244375102e+02 1.06 5.743904572e+02 5.743904572e+02 1.08 5.288360236e+02 5.288360236e+02 1.10 4.873294871e+02 4.873294871e+02 1.12 4.494698325e+02 4.494698325e+02 1.14 4.148976134e+02 4.148976134e+02 1.16 3.832944607e+02 3.832944607e+02 1.18 3.543739528e+02 3.543739528e+02 1.20 3.278788415e+02 3.278788415e+02 1.22 3.035772705e+02 3.035772705e+02 1.24 2.812668108e+02 2.812668108e+02 1.26 2.607618046e+02 2.607618046e+02 1.28 2.418955809e+02 2.418955809e+02 1.30 2.245155217e+02 2.245155217e+02 1.32 2.084891656e+02 2.084891656e+02 1.34 1.936960097e+02 1.936960097e+02 1.36 1.800266053e+02 1.800266053e+02 1.38 1.673826480e+02 1.673826480e+02 1.40 1.556751398e+02 1.556751398e+02 1.42 1.448225802e+02 1.448225802e+02 1.44 1.347540712e+02 1.347540712e+02 1.46 1.254039494e+02 1.254039494e+02 1.48 1.167130320e+02 1.167130320e+02 1.50 1.086278687e+02 1.086278687e+02 1.52 1.010998898e+02 1.010998898e+02 1.54 9.408473974e+01 9.408473974e+01 1.56 8.754172278e+01 8.754172278e+01 1.58 8.143431690e+01 8.143431690e+01 1.60 7.573101053e+01 7.573101053e+01 1.62 7.040128963e+01 7.040128963e+01 1.64 6.541805008e+01 6.541805008e+01 1.66 6.075618208e+01 6.075618208e+01 1.68 5.639271857e+01 5.639271857e+01 1.70 5.230663086e+01 5.230663086e+01 1.72 4.847850928e+01 4.847850928e+01 1.74 4.489082528e+01 4.489082528e+01 1.76 4.152730359e+01 4.152730359e+01 1.78 3.837199357e+01 3.837199357e+01 1.80 3.541171916e+01 3.541171916e+01 1.82 3.263422046e+01 3.263422046e+01 1.84 3.002768164e+01 3.002768164e+01 1.86 2.758116653e+01 2.758116653e+01 1.88 2.525454585e+01 2.525454585e+01 1.90 2.309959236e+01 2.309959236e+01 1.92 2.107949624e+01 2.107949624e+01 1.94 1.918551510e+01 1.918551510e+01 1.96 1.741029720e+01 1.741029720e+01 1.98 1.574676623e+01 1.574676623e+01 2.00 1.418880212e+01 1.418880212e+01 2.02 1.273048351e+01 1.273048351e+01 2.04 1.136625193e+01 1.136625193e+01 2.06 1.009086934e+01 1.009086934e+01 2.08 8.899394330e+00 8.899394330e+00 2.10 7.787294671e+00 7.787294671e+00 2.12 6.749648091e+00 6.749648091e+00 2.14 5.782836025e+00 5.782836025e+00 2.16 4.883160520e+00 4.883160520e+00 2.18 4.047019996e+00 4.047019996e+00 2.20 3.271079162e+00 3.271079162e+00 2.22 2.552017046e+00 2.552017046e+00 2.24 1.886751646e+00 1.886751646e+00 2.26 1.272345622e+00 1.272345622e+00 2.28 7.059883387e-01 7.059883387e-01 2.30 1.849808309e-01 1.849808309e-01 2.32 -2.932838984e-01 -2.932838984e-01 2.34 -7.309598625e-01 -7.309598625e-01 2.36 -1.130350388e+00 -1.130350388e+00 2.38 -1.493902146e+00 -1.493902146e+00 2.40 -1.823730980e+00 -1.823730980e+00 2.42 -2.121900997e+00 -2.121900997e+00 2.44 -2.390303506e+00 -2.390303506e+00 2.46 -2.630748973e+00 -2.630748973e+00 2.48 -2.844746922e+00 -2.844746922e+00 2.50 -3.034261887e+00 -3.034261887e+00 2.52 -3.200902641e+00 -3.200902641e+00 2.54 -3.346207357e+00 -3.346207357e+00 2.56 -3.471642621e+00 -3.471642621e+00 2.58 -3.578605584e+00 -3.578605584e+00 2.60 -3.668363682e+00 -3.668363682e+00 2.62 -3.742056860e+00 -3.742056860e+00 2.64 -3.801024543e+00 -3.801024543e+00 2.66 -3.846586208e+00 -3.846586208e+00 2.68 -3.879855544e+00 -3.879855544e+00 2.70 -3.901690633e+00 -3.901690633e+00 2.72 -3.913015719e+00 -3.913015719e+00 2.74 -3.914535127e+00 -3.914535127e+00 2.76 -3.907336521e+00 -3.907336521e+00 2.78 -3.892685141e+00 -3.892685141e+00 2.80 -3.871155369e+00 -3.871155369e+00 2.82 -3.843125674e+00 -3.843125674e+00 2.84 -3.809255976e+00 -3.809255976e+00 2.86 -3.770162483e+00 -3.770162483e+00 2.88 -3.726418786e+00 -3.726418786e+00 2.90 -3.678585192e+00 -3.678585192e+00 2.92 -3.627428032e+00 -3.627428032e+00 2.94 -3.573081607e+00 -3.573081607e+00 2.96 -3.515995616e+00 -3.515995616e+00 2.98 -3.455848316e+00 -3.455848316e+00 3.00 -3.393585345e+00 -3.393585345e+00 3.02 -3.329689073e+00 -3.329689073e+00 3.04 -3.264459939e+00 -3.264459939e+00 3.06 -3.198204930e+00 -3.198204930e+00 3.08 -3.130693285e+00 -3.130693285e+00 3.10 -3.062135768e+00 -3.062135768e+00 3.12 -2.993181480e+00 -2.993181480e+00 3.14 -2.924112436e+00 -2.924112436e+00 3.16 -2.855093994e+00 -2.855093994e+00 3.18 -2.786276958e+00 -2.786276958e+00 3.20 -2.717797116e+00 -2.717797116e+00 3.22 -2.649775890e+00 -2.649775890e+00 3.24 -2.582309671e+00 -2.582309671e+00 3.26 -2.516115248e+00 -2.516115248e+00 3.28 -2.450842960e+00 -2.450842960e+00 3.30 -2.386353028e+00 -2.386353028e+00 3.32 -2.322712255e+00 -2.322712255e+00 3.34 -2.259979986e+00 -2.259979986e+00 3.36 -2.198207247e+00 -2.198207247e+00 3.38 -2.137438046e+00 -2.137438046e+00 3.40 -2.077718686e+00 -2.077718686e+00 3.42 -2.019189176e+00 -2.019189176e+00 3.44 -1.961750454e+00 -1.961750454e+00 3.46 -1.905422596e+00 -1.905422596e+00 3.48 -1.850221881e+00 -1.850221881e+00 3.50 -1.796165100e+00 -1.796165100e+00 3.52 -1.743260458e+00 -1.743260458e+00 3.54 -1.691499164e+00 -1.691499164e+00 3.56 -1.640884763e+00 -1.640884763e+00 3.58 -1.591378956e+00 -1.591378956e+00 3.60 -1.542932731e+00 -1.542932731e+00 3.62 -1.495551770e+00 -1.495551770e+00 3.64 -1.449245785e+00 -1.449245785e+00 3.66 -1.404009111e+00 -1.404009111e+00 3.68 -1.359831929e+00 -1.359831929e+00 3.70 -1.316739771e+00 -1.316739771e+00 3.72 -1.274760199e+00 -1.274760199e+00 3.74 -1.233897981e+00 -1.233897981e+00 3.76 -1.194131073e+00 -1.194131073e+00 3.78 -1.155426536e+00 -1.155426536e+00 3.80 -1.117762132e+00 -1.117762132e+00 3.82 -1.081108463e+00 -1.081108463e+00 3.84 -1.045450440e+00 -1.045450440e+00 3.86 -1.010755604e+00 -1.010755604e+00 3.88 -9.770095030e-01 -9.770095030e-01 3.90 -9.442117605e-01 -9.442117605e-01 3.92 -9.122852619e-01 -9.122852619e-01 3.94 -8.812320916e-01 -8.812320916e-01 3.96 -8.510370880e-01 -8.510370880e-01 3.98 -8.215417813e-01 -8.215417813e-01 4.00 -7.928650439e-01 -7.928650439e-01 4.02 -7.651220344e-01 -7.651220344e-01 4.04 -7.384027061e-01 -7.384027061e-01 4.06 -7.128337540e-01 -7.128337540e-01 4.08 -6.883537991e-01 -6.883537991e-01 4.10 -6.648685271e-01 -6.648685271e-01 4.12 -6.424369038e-01 -6.424369038e-01 4.14 -6.209518945e-01 -6.209518945e-01 4.16 -6.000821944e-01 -6.000821944e-01 4.18 -5.795830019e-01 -5.795830019e-01 4.20 -5.592799450e-01 -5.592799450e-01 4.22 -5.390548915e-01 -5.390548915e-01 4.24 -5.188341489e-01 -5.188341489e-01 4.26 -4.985785033e-01 -4.985785033e-01 4.28 -4.782379102e-01 -4.782379102e-01 4.30 -4.578321198e-01 -4.578321198e-01 4.32 -4.374336830e-01 -4.374336830e-01 4.34 -4.171100603e-01 -4.171100603e-01 4.36 -3.969037709e-01 -3.969037709e-01 4.38 -3.768219992e-01 -3.768219992e-01 4.40 -3.570118902e-01 -3.570118902e-01 4.42 -3.376041889e-01 -3.376041889e-01 4.44 -3.186991327e-01 -3.186991327e-01 4.46 -3.003716732e-01 -3.003716732e-01 4.48 -2.826758920e-01 -2.826758920e-01 4.50 -2.656487280e-01 -2.656487280e-01 4.52 -2.493131182e-01 -2.493131182e-01 4.54 -2.336806389e-01 -2.336806389e-01 4.56 -2.187535503e-01 -2.187535503e-01 4.58 -2.045125164e-01 -2.045125164e-01 4.60 -1.913590410e-01 -1.913590410e-01 4.62 -1.792360795e-01 -1.792360795e-01 4.64 -1.677101216e-01 -1.677101216e-01 4.66 -1.567767716e-01 -1.567767716e-01 4.68 -1.464156699e-01 -1.464156699e-01 4.70 -1.366051985e-01 -1.366051985e-01 4.72 -1.273229951e-01 -1.273229951e-01 4.74 -1.185463238e-01 -1.185463238e-01 4.76 -1.102523715e-01 -1.102523715e-01 4.78 -1.024184848e-01 -1.024184848e-01 4.80 -9.501618809e-02 -9.501618809e-02 4.82 -8.821221814e-02 -8.821221814e-02 4.84 -8.186113907e-02 -8.186113907e-02 4.86 -7.586582176e-02 -7.586582176e-02 4.88 -7.020773895e-02 -7.020773895e-02 4.90 -6.486908509e-02 -6.486908509e-02 4.92 -5.983279319e-02 -5.983279319e-02 4.94 -5.508254167e-02 -5.508254167e-02 4.96 -5.060275191e-02 -5.060275191e-02 4.98 -4.637857961e-02 -4.637857961e-02 5.00 -4.239590076e-02 -4.239590076e-02 5.02 -3.864129455e-02 -3.864129455e-02 5.04 -3.510202273e-02 -3.510202273e-02 5.06 -3.176600584e-02 -3.176600584e-02 5.08 -2.862179896e-02 -2.862179896e-02 5.10 -2.565856639e-02 -2.565856639e-02 5.12 -2.286605594e-02 -2.286605594e-02 5.14 -2.023457276e-02 -2.023457276e-02 5.16 -1.775495325e-02 -1.775495325e-02 5.18 -1.541853950e-02 -1.541853950e-02 5.20 -1.321715437e-02 -1.321715437e-02 5.22 -1.114307733e-02 -1.114307733e-02 5.24 -9.189020484e-03 -9.189020484e-03 5.26 -7.348074157e-03 -7.348074157e-03 5.28 -5.615816704e-03 -5.615816704e-03 5.30 -4.030959381e-03 -4.030959381e-03 5.32 -3.538201235e-03 -3.538201235e-03 5.34 -3.108345355e-03 -3.108345355e-03 5.36 -2.712920316e-03 -2.712920316e-03 5.38 -2.342277651e-03 -2.342277651e-03 5.40 -1.994897080e-03 -1.994897080e-03 5.42 -1.669349620e-03 -1.669349620e-03 5.44 -1.364292190e-03 -1.364292190e-03 5.46 -1.078462544e-03 -1.078462544e-03 5.48 -8.106745276e-04 -8.106745276e-04 5.50 -5.598135981e-04 -5.598135981e-04 5.52 -3.248325548e-04 -3.248325548e-04 5.54 -1.033396450e-04 -1.033396450e-04 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