# 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 = Ag2CuPt # 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 5.557027112e+02 5.557027112e+02 1.00 5.098338412e+02 5.098338412e+02 1.02 4.682886610e+02 4.682886610e+02 1.04 4.306050267e+02 4.306050267e+02 1.06 3.963730314e+02 3.963730314e+02 1.08 3.652276547e+02 3.652276547e+02 1.10 3.368530405e+02 3.368530405e+02 1.12 3.109640940e+02 3.109640940e+02 1.14 2.873061267e+02 2.873061267e+02 1.16 2.656610257e+02 2.656610257e+02 1.18 2.458323929e+02 2.458323929e+02 1.20 2.276448538e+02 2.276448538e+02 1.22 2.109370099e+02 2.109370099e+02 1.24 1.955739165e+02 1.955739165e+02 1.26 1.814293561e+02 1.814293561e+02 1.28 1.683913079e+02 1.683913079e+02 1.30 1.563579654e+02 1.563579654e+02 1.32 1.452399892e+02 1.452399892e+02 1.34 1.349571769e+02 1.349571769e+02 1.36 1.254367267e+02 1.254367267e+02 1.38 1.166128583e+02 1.166128583e+02 1.40 1.084273496e+02 1.084273496e+02 1.42 1.008268763e+02 1.008268763e+02 1.44 9.376440655e+01 9.376440655e+01 1.46 8.719451450e+01 8.719451450e+01 1.48 8.107816558e+01 8.107816558e+01 1.50 7.538132498e+01 7.538132498e+01 1.52 7.007146727e+01 7.007146727e+01 1.54 6.511812676e+01 6.511812676e+01 1.56 6.049508129e+01 6.049508129e+01 1.58 5.617815696e+01 5.617815696e+01 1.60 5.214572343e+01 5.214572343e+01 1.62 4.837698103e+01 4.837698103e+01 1.64 4.485344977e+01 4.485344977e+01 1.66 4.155727880e+01 4.155727880e+01 1.68 3.847295031e+01 3.847295031e+01 1.70 3.558688229e+01 3.558688229e+01 1.72 3.288558378e+01 3.288558378e+01 1.74 3.035690951e+01 3.035690951e+01 1.76 2.798890329e+01 2.798890329e+01 1.78 2.577071016e+01 2.577071016e+01 1.80 2.369350482e+01 2.369350482e+01 1.82 2.174847122e+01 2.174847122e+01 1.84 1.992720352e+01 1.992720352e+01 1.86 1.818970515e+01 1.818970515e+01 1.88 1.659300382e+01 1.659300382e+01 1.90 1.508265702e+01 1.508265702e+01 1.92 1.367684547e+01 1.367684547e+01 1.94 1.235489499e+01 1.235489499e+01 1.96 1.111214058e+01 1.111214058e+01 1.98 9.943577940e+00 9.943577940e+00 2.00 8.846081539e+00 8.846081539e+00 2.02 7.816495044e+00 7.816495044e+00 2.04 6.851458897e+00 6.851458897e+00 2.06 5.947673461e+00 5.947673461e+00 2.08 5.102089965e+00 5.102089965e+00 2.10 4.312088093e+00 4.312088093e+00 2.12 3.574658928e+00 3.574658928e+00 2.14 2.887404919e+00 2.887404919e+00 2.16 2.247676316e+00 2.247676316e+00 2.18 1.653271541e+00 1.653271541e+00 2.20 1.102038343e+00 1.102038343e+00 2.22 5.916930287e-01 5.916930287e-01 2.24 1.201795937e-01 1.201795937e-01 2.26 -3.145027637e-01 -3.145027637e-01 2.28 -7.143045108e-01 -7.143045108e-01 2.30 -1.081109978e+00 -1.081109978e+00 2.32 -1.416736387e+00 -1.416736387e+00 2.34 -1.722001379e+00 -1.722001379e+00 2.36 -1.999275370e+00 -1.999275370e+00 2.38 -2.250396470e+00 -2.250396470e+00 2.40 -2.476878386e+00 -2.476878386e+00 2.42 -2.680220138e+00 -2.680220138e+00 2.44 -2.861779232e+00 -2.861779232e+00 2.46 -3.022889979e+00 -3.022889979e+00 2.48 -3.164895748e+00 -3.164895748e+00 2.50 -3.289175802e+00 -3.289175802e+00 2.52 -3.396715975e+00 -3.396715975e+00 2.54 -3.488645490e+00 -3.488645490e+00 2.56 -3.565881613e+00 -3.565881613e+00 2.58 -3.629409394e+00 -3.629409394e+00 2.60 -3.680987097e+00 -3.680987097e+00 2.62 -3.720904952e+00 -3.720904952e+00 2.64 -3.750043326e+00 -3.750043326e+00 2.66 -3.769265700e+00 -3.769265700e+00 2.68 -3.779422968e+00 -3.779422968e+00 2.70 -3.781223385e+00 -3.781223385e+00 2.72 -3.775378175e+00 -3.775378175e+00 2.74 -3.762557738e+00 -3.762557738e+00 2.76 -3.743390408e+00 -3.743390408e+00 2.78 -3.718687871e+00 -3.718687871e+00 2.80 -3.688938905e+00 -3.688938905e+00 2.82 -3.654486393e+00 -3.654486393e+00 2.84 -3.615816828e+00 -3.615816828e+00 2.86 -3.573384085e+00 -3.573384085e+00 2.88 -3.527613113e+00 -3.527613113e+00 2.90 -3.478495857e+00 -3.478495857e+00 2.92 -3.426638410e+00 -3.426638410e+00 2.94 -3.372563102e+00 -3.372563102e+00 2.96 -3.316573327e+00 -3.316573327e+00 2.98 -3.258220806e+00 -3.258220806e+00 3.00 -3.198471270e+00 -3.198471270e+00 3.02 -3.137647456e+00 -3.137647456e+00 3.04 -3.076139921e+00 -3.076139921e+00 3.06 -3.014202118e+00 -3.014202118e+00 3.08 -2.951785316e+00 -2.951785316e+00 3.10 -2.888955186e+00 -2.888955186e+00 3.12 -2.825857651e+00 -2.825857651e+00 3.14 -2.762750599e+00 -2.762750599e+00 3.16 -2.699756092e+00 -2.699756092e+00 3.18 -2.636987576e+00 -2.636987576e+00 3.20 -2.574547831e+00 -2.574547831e+00 3.22 -2.512529253e+00 -2.512529253e+00 3.24 -2.451008436e+00 -2.451008436e+00 3.26 -2.390390202e+00 -2.390390202e+00 3.28 -2.330508344e+00 -2.330508344e+00 3.30 -2.271307235e+00 -2.271307235e+00 3.32 -2.212839517e+00 -2.212839517e+00 3.34 -2.155152304e+00 -2.155152304e+00 3.36 -2.098286613e+00 -2.098286613e+00 3.38 -2.042276339e+00 -2.042276339e+00 3.40 -1.987167198e+00 -1.987167198e+00 3.42 -1.933094895e+00 -1.933094895e+00 3.44 -1.879918074e+00 -1.879918074e+00 3.46 -1.827618133e+00 -1.827618133e+00 3.48 -1.776142501e+00 -1.776142501e+00 3.50 -1.725567527e+00 -1.725567527e+00 3.52 -1.675998263e+00 -1.675998263e+00 3.54 -1.627429426e+00 -1.627429426e+00 3.56 -1.579840635e+00 -1.579840635e+00 3.58 -1.533185081e+00 -1.533185081e+00 3.60 -1.487434642e+00 -1.487434642e+00 3.62 -1.442631932e+00 -1.442631932e+00 3.64 -1.398829390e+00 -1.398829390e+00 3.66 -1.356048155e+00 -1.356048155e+00 3.68 -1.314267326e+00 -1.314267326e+00 3.70 -1.273465410e+00 -1.273465410e+00 3.72 -1.233636594e+00 -1.233636594e+00 3.74 -1.194775179e+00 -1.194775179e+00 3.76 -1.156861577e+00 -1.156861577e+00 3.78 -1.119879839e+00 -1.119879839e+00 3.80 -1.083815863e+00 -1.083815863e+00 3.82 -1.048648207e+00 -1.048648207e+00 3.84 -1.014353279e+00 -1.014353279e+00 3.86 -9.809117058e-01 -9.809117058e-01 3.88 -9.483337131e-01 -9.483337131e-01 3.90 -9.165851876e-01 -9.165851876e-01 3.92 -8.856157372e-01 -8.856157372e-01 3.94 -8.554184517e-01 -8.554184517e-01 3.96 -8.258358019e-01 -8.258358019e-01 3.98 -7.970013772e-01 -7.970013772e-01 4.00 -7.690563621e-01 -7.690563621e-01 4.02 -7.421077200e-01 -7.421077200e-01 4.04 -7.162814171e-01 -7.162814171e-01 4.06 -6.915895467e-01 -6.915895467e-01 4.08 -6.679264053e-01 -6.679264053e-01 4.10 -6.453627604e-01 -6.453627604e-01 4.12 -6.236570888e-01 -6.236570888e-01 4.14 -6.024483888e-01 -6.024483888e-01 4.16 -5.814754296e-01 -5.814754296e-01 4.18 -5.605568537e-01 -5.605568537e-01 4.20 -5.395746425e-01 -5.395746425e-01 4.22 -5.184604192e-01 -5.184604192e-01 4.24 -4.971758408e-01 -4.971758408e-01 4.26 -4.756953142e-01 -4.756953142e-01 4.28 -4.540236424e-01 -4.540236424e-01 4.30 -4.329760149e-01 -4.329760149e-01 4.32 -4.122366104e-01 -4.122366104e-01 4.34 -3.914874862e-01 -3.914874862e-01 4.36 -3.708885663e-01 -3.708885663e-01 4.38 -3.506095885e-01 -3.506095885e-01 4.40 -3.307819769e-01 -3.307819769e-01 4.42 -3.115054194e-01 -3.115054194e-01 4.44 -2.928534107e-01 -2.928534107e-01 4.46 -2.748779251e-01 -2.748779251e-01 4.48 -2.576133546e-01 -2.576133546e-01 4.50 -2.410798075e-01 -2.410798075e-01 4.52 -2.252858776e-01 -2.252858776e-01 4.54 -2.102309584e-01 -2.102309584e-01 4.56 -1.959071097e-01 -1.959071097e-01 4.58 -1.822954238e-01 -1.822954238e-01 4.60 -1.695304636e-01 -1.695304636e-01 4.62 -1.575741189e-01 -1.575741189e-01 4.64 -1.462490238e-01 -1.462490238e-01 4.66 -1.355364122e-01 -1.355364122e-01 4.68 -1.254112460e-01 -1.254112460e-01 4.70 -1.158479279e-01 -1.158479279e-01 4.72 -1.068206971e-01 -1.068206971e-01 4.74 -9.830392625e-02 -9.830392625e-02 4.76 -9.027235658e-02 -9.027235658e-02 4.78 -8.270127478e-02 -8.270127478e-02 4.80 -7.556056687e-02 -7.556056687e-02 4.82 -6.901268104e-02 -6.901268104e-02 4.84 -6.291232426e-02 -6.291232426e-02 4.86 -5.716261241e-02 -5.716261241e-02 4.88 -5.174435062e-02 -5.174435062e-02 4.90 -4.663920845e-02 -4.663920845e-02 4.92 -4.182929271e-02 -4.182929271e-02 4.94 -3.724765071e-02 -3.724765071e-02 4.96 -3.365656067e-02 -3.365656067e-02 4.98 -3.098053595e-02 -3.098053595e-02 5.00 -2.841539892e-02 -2.841539892e-02 5.02 -2.600137145e-02 -2.600137145e-02 5.04 -2.373006752e-02 -2.373006752e-02 5.06 -2.159321318e-02 -2.159321318e-02 5.08 -1.958300152e-02 -1.958300152e-02 5.10 -1.769206791e-02 -1.769206791e-02 5.12 -1.591346642e-02 -1.591346642e-02 5.14 -1.424064701e-02 -1.424064701e-02 5.16 -1.266743367e-02 -1.266743367e-02 5.18 -1.118800384e-02 -1.118800384e-02 5.20 -9.796868818e-03 -9.796868818e-03 5.22 -8.488855253e-03 -8.488855253e-03 5.24 -7.259087217e-03 -7.259087217e-03 5.26 -6.102954729e-03 -6.102954729e-03 5.28 -5.017091929e-03 -5.017091929e-03 5.30 -4.018372231e-03 -4.018372231e-03 5.32 -3.546615876e-03 -3.546615876e-03 5.34 -3.119376714e-03 -3.119376714e-03 5.36 -2.722431370e-03 -2.722431370e-03 5.38 -2.350394170e-03 -2.350394170e-03 5.40 -2.001733565e-03 -2.001733565e-03 5.42 -1.675010377e-03 -1.675010377e-03 5.44 -1.368872300e-03 -1.368872300e-03 5.46 -1.082048738e-03 -1.082048738e-03 5.48 -8.133459753e-04 -8.133459753e-04 5.50 -5.616426179e-04 -5.616426179e-04 5.52 -3.258852555e-04 -3.258852555e-04 5.54 -1.036719592e-04 -1.036719592e-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