# 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 = Ag2AuPt # 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 8.558973336e+02 8.558973336e+02 1.00 7.846042848e+02 7.846042848e+02 1.02 7.198374704e+02 7.198374704e+02 1.04 6.609469984e+02 6.609469984e+02 1.06 6.073551009e+02 6.073551009e+02 1.08 5.585433697e+02 5.585433697e+02 1.10 5.140531462e+02 5.140531462e+02 1.12 4.734699247e+02 4.734699247e+02 1.14 4.364213862e+02 4.364213862e+02 1.16 4.025739986e+02 4.025739986e+02 1.18 3.716266012e+02 3.716266012e+02 1.20 3.433077229e+02 3.433077229e+02 1.22 3.173721535e+02 3.173721535e+02 1.24 2.936009485e+02 2.936009485e+02 1.26 2.717939489e+02 2.717939489e+02 1.28 2.517708930e+02 2.517708930e+02 1.30 2.333679026e+02 2.333679026e+02 1.32 2.164388734e+02 2.164388734e+02 1.34 2.008511537e+02 2.008511537e+02 1.36 1.864838753e+02 1.864838753e+02 1.38 1.732287835e+02 1.732287835e+02 1.40 1.609877100e+02 1.609877100e+02 1.42 1.496708726e+02 1.496708726e+02 1.44 1.391984767e+02 1.391984767e+02 1.46 1.294975621e+02 1.294975621e+02 1.48 1.205020942e+02 1.205020942e+02 1.50 1.121527152e+02 1.121527152e+02 1.52 1.043955321e+02 1.043955321e+02 1.54 9.718145656e+01 9.718145656e+01 1.56 9.046595815e+01 9.046595815e+01 1.58 8.420868302e+01 8.420868302e+01 1.60 7.837394294e+01 7.837394294e+01 1.62 7.292834638e+01 7.292834638e+01 1.64 6.784184681e+01 6.784184681e+01 1.66 6.308744603e+01 6.308744603e+01 1.68 5.864040485e+01 5.864040485e+01 1.70 5.447806230e+01 5.447806230e+01 1.72 5.057962318e+01 5.057962318e+01 1.74 4.692637114e+01 4.692637114e+01 1.76 4.350105343e+01 4.350105343e+01 1.78 4.028743060e+01 4.028743060e+01 1.80 3.727131722e+01 3.727131722e+01 1.82 3.443964684e+01 3.443964684e+01 1.84 3.178018536e+01 3.178018536e+01 1.86 2.928151416e+01 2.928151416e+01 1.88 2.693328719e+01 2.693328719e+01 1.90 2.472933075e+01 2.472933075e+01 1.92 2.262637583e+01 2.262637583e+01 1.94 2.068193350e+01 2.068193350e+01 1.96 1.885628478e+01 1.885628478e+01 1.98 1.714231467e+01 1.714231467e+01 2.00 1.553387263e+01 1.553387263e+01 2.02 1.402506384e+01 1.402506384e+01 2.04 1.261038188e+01 1.261038188e+01 2.06 1.128473898e+01 1.128473898e+01 2.08 1.004332176e+01 1.004332176e+01 2.10 8.881553198e+00 8.881553198e+00 2.12 7.794943950e+00 7.794943950e+00 2.14 6.779744844e+00 6.779744844e+00 2.16 5.832207272e+00 5.832207272e+00 2.18 4.948836372e+00 4.948836372e+00 2.20 4.126417616e+00 4.126417616e+00 2.22 3.361603150e+00 3.361603150e+00 2.24 2.651499985e+00 2.651499985e+00 2.26 1.993302423e+00 1.993302423e+00 2.28 1.384273090e+00 1.384273090e+00 2.30 8.217893592e-01 8.217893592e-01 2.32 3.033283591e-01 3.033283591e-01 2.34 -1.734643900e-01 -1.734643900e-01 2.36 -6.106924020e-01 -6.106924020e-01 2.38 -1.010600195e+00 -1.010600195e+00 2.40 -1.375266969e+00 -1.375266969e+00 2.42 -1.706910049e+00 -1.706910049e+00 2.44 -2.007404099e+00 -2.007404099e+00 2.46 -2.278577264e+00 -2.278577264e+00 2.48 -2.522110467e+00 -2.522110467e+00 2.50 -2.739794105e+00 -2.739794105e+00 2.52 -2.933261542e+00 -2.933261542e+00 2.54 -3.104076880e+00 -3.104076880e+00 2.56 -3.253736946e+00 -3.253736946e+00 2.58 -3.383672805e+00 -3.383672805e+00 2.60 -3.495251137e+00 -3.495251137e+00 2.62 -3.589742727e+00 -3.589742727e+00 2.64 -3.668202890e+00 -3.668202890e+00 2.66 -3.732077989e+00 -3.732077989e+00 2.68 -3.782444490e+00 -3.782444490e+00 2.70 -3.820347816e+00 -3.820347816e+00 2.72 -3.846828083e+00 -3.846828083e+00 2.74 -3.862736057e+00 -3.862736057e+00 2.76 -3.869051028e+00 -3.869051028e+00 2.78 -3.866866425e+00 -3.866866425e+00 2.80 -3.856953334e+00 -3.856953334e+00 2.82 -3.839805217e+00 -3.839805217e+00 2.84 -3.816117886e+00 -3.816117886e+00 2.86 -3.786541480e+00 -3.786541480e+00 2.88 -3.751682000e+00 -3.751682000e+00 2.90 -3.712143701e+00 -3.712143701e+00 2.92 -3.668854062e+00 -3.668854062e+00 2.94 -3.621821747e+00 -3.621821747e+00 2.96 -3.571497579e+00 -3.571497579e+00 2.98 -3.518312862e+00 -3.518312862e+00 3.00 -3.461912440e+00 -3.461912440e+00 3.02 -3.403317367e+00 -3.403317367e+00 3.04 -3.342961587e+00 -3.342961587e+00 3.06 -3.281139929e+00 -3.281139929e+00 3.08 -3.218128265e+00 -3.218128265e+00 3.10 -3.154079896e+00 -3.154079896e+00 3.12 -3.089084395e+00 -3.089084395e+00 3.14 -3.023523217e+00 -3.023523217e+00 3.16 -2.957536571e+00 -2.957536571e+00 3.18 -2.891424143e+00 -2.891424143e+00 3.20 -2.825334092e+00 -2.825334092e+00 3.22 -2.759403103e+00 -2.759403103e+00 3.24 -2.693748388e+00 -2.693748388e+00 3.26 -2.628806568e+00 -2.628806568e+00 3.28 -2.564447806e+00 -2.564447806e+00 3.30 -2.500647795e+00 -2.500647795e+00 3.32 -2.437485829e+00 -2.437485829e+00 3.34 -2.375032597e+00 -2.375032597e+00 3.36 -2.313350606e+00 -2.313350606e+00 3.38 -2.252494782e+00 -2.252494782e+00 3.40 -2.192532826e+00 -2.192532826e+00 3.42 -2.133761912e+00 -2.133761912e+00 3.44 -2.075926241e+00 -2.075926241e+00 3.46 -2.019056189e+00 -2.019056189e+00 3.48 -1.963178370e+00 -1.963178370e+00 3.50 -1.908313544e+00 -1.908313544e+00 3.52 -1.854487580e+00 -1.854487580e+00 3.54 -1.801701116e+00 -1.801701116e+00 3.56 -1.749957649e+00 -1.749957649e+00 3.58 -1.699250130e+00 -1.699250130e+00 3.60 -1.649537210e+00 -1.649537210e+00 3.62 -1.600791684e+00 -1.600791684e+00 3.64 -1.553066276e+00 -1.553066276e+00 3.66 -1.506429366e+00 -1.506429366e+00 3.68 -1.460888305e+00 -1.460888305e+00 3.70 -1.416403620e+00 -1.416403620e+00 3.72 -1.372947934e+00 -1.372947934e+00 3.74 -1.330493270e+00 -1.330493270e+00 3.76 -1.289043956e+00 -1.289043956e+00 3.78 -1.248615255e+00 -1.248615255e+00 3.80 -1.209210245e+00 -1.209210245e+00 3.82 -1.170791473e+00 -1.170791473e+00 3.84 -1.133335112e+00 -1.133335112e+00 3.86 -1.096841649e+00 -1.096841649e+00 3.88 -1.061303904e+00 -1.061303904e+00 3.90 -1.026693482e+00 -1.026693482e+00 3.92 -9.929058683e-01 -9.929058683e-01 3.94 -9.599293370e-01 -9.599293370e-01 3.96 -9.278466655e-01 -9.278466655e-01 3.98 -8.967098048e-01 -8.967098048e-01 4.00 -8.663517963e-01 -8.663517963e-01 4.02 -8.368288978e-01 -8.368288978e-01 4.04 -8.082887964e-01 -8.082887964e-01 4.06 -7.809398798e-01 -7.809398798e-01 4.08 -7.547204786e-01 -7.547204786e-01 4.10 -7.294887215e-01 -7.294887215e-01 4.12 -7.051391041e-01 -7.051391041e-01 4.14 -6.816999773e-01 -6.816999773e-01 4.16 -6.591332653e-01 -6.591332653e-01 4.18 -6.370897742e-01 -6.370897742e-01 4.20 -6.153109784e-01 -6.153109784e-01 4.22 -5.936191325e-01 -5.936191325e-01 4.24 -5.719002749e-01 -5.719002749e-01 4.26 -5.500897709e-01 -5.500897709e-01 4.28 -5.281203155e-01 -5.281203155e-01 4.30 -5.059991552e-01 -5.059991552e-01 4.32 -4.838239335e-01 -4.838239335e-01 4.34 -4.616867273e-01 -4.616867273e-01 4.36 -4.396708906e-01 -4.396708906e-01 4.38 -4.178190246e-01 -4.178190246e-01 4.40 -3.961691914e-01 -3.961691914e-01 4.42 -3.748882289e-01 -3.748882289e-01 4.44 -3.541112212e-01 -3.541112212e-01 4.46 -3.339397872e-01 -3.339397872e-01 4.48 -3.144480234e-01 -3.144480234e-01 4.50 -2.956874982e-01 -2.956874982e-01 4.52 -2.776914443e-01 -2.776914443e-01 4.54 -2.604782692e-01 -2.604782692e-01 4.56 -2.440543929e-01 -2.440543929e-01 4.58 -2.284087889e-01 -2.284087889e-01 4.60 -2.137617175e-01 -2.137617175e-01 4.62 -2.000731232e-01 -2.000731232e-01 4.64 -1.870900521e-01 -1.870900521e-01 4.66 -1.747981712e-01 -1.747981712e-01 4.68 -1.631729438e-01 -1.631729438e-01 4.70 -1.521882876e-01 -1.521882876e-01 4.72 -1.418171987e-01 -1.418171987e-01 4.74 -1.320322278e-01 -1.320322278e-01 4.76 -1.228058600e-01 -1.228058600e-01 4.78 -1.141108125e-01 -1.141108125e-01 4.80 -1.059093250e-01 -1.059093250e-01 4.82 -9.850995155e-02 -9.850995155e-02 4.84 -9.166765504e-02 -9.166765504e-02 4.86 -8.522205050e-02 -8.522205050e-02 4.88 -7.915174910e-02 -7.915174910e-02 4.90 -7.343623505e-02 -7.343623505e-02 4.92 -6.805588337e-02 -6.805588337e-02 4.94 -6.299196518e-02 -6.299196518e-02 4.96 -5.822664199e-02 -5.822664199e-02 4.98 -5.374295251e-02 -5.374295251e-02 5.00 -4.952479329e-02 -4.952479329e-02 5.02 -4.555689546e-02 -4.555689546e-02 5.04 -4.182479774e-02 -4.182479774e-02 5.06 -3.831481616e-02 -3.831481616e-02 5.08 -3.501401319e-02 -3.501401319e-02 5.10 -3.191016575e-02 -3.191016575e-02 5.12 -2.899173321e-02 -2.899173321e-02 5.14 -2.624782496e-02 -2.624782496e-02 5.16 -2.366816824e-02 -2.366816824e-02 5.18 -2.124307698e-02 -2.124307698e-02 5.20 -1.896342143e-02 -1.896342143e-02 5.22 -1.682059887e-02 -1.682059887e-02 5.24 -1.480650484e-02 -1.480650484e-02 5.26 -1.291349099e-02 -1.291349099e-02 5.28 -1.113534254e-02 -1.113534254e-02 5.30 -9.486422658e-03 -9.486422658e-03 5.32 -8.407377493e-03 -8.407377493e-03 5.34 -7.408906398e-03 -7.408906398e-03 5.36 -6.474582796e-03 -6.474582796e-03 5.38 -5.597025641e-03 -5.597025641e-03 5.40 -4.772848873e-03 -4.772848873e-03 5.42 -3.998864541e-03 -3.998864541e-03 5.44 -3.272071356e-03 -3.272071356e-03 5.46 -2.589643948e-03 -2.589643948e-03 5.48 -1.948922769e-03 -1.948922769e-03 5.50 -1.347404577e-03 -1.347404577e-03 5.52 -7.827333332e-04 -7.827333332e-04 5.54 -2.492912280e-04 -2.492912280e-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