# 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 = AgAu2Pd # 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 9.106739177e+02 9.106739177e+02 1.00 8.351384918e+02 8.351384918e+02 1.02 7.665685749e+02 7.665685749e+02 1.04 7.042557599e+02 7.042557599e+02 1.06 6.475692737e+02 6.475692737e+02 1.08 5.959477658e+02 5.959477658e+02 1.10 5.488921576e+02 5.488921576e+02 1.12 5.059552158e+02 5.059552158e+02 1.14 4.667376376e+02 4.667376376e+02 1.16 4.308835276e+02 4.308835276e+02 1.18 3.980725820e+02 3.980725820e+02 1.20 3.680171901e+02 3.680171901e+02 1.22 3.404595013e+02 3.404595013e+02 1.24 3.151668487e+02 3.151668487e+02 1.26 2.919300709e+02 2.919300709e+02 1.28 2.705610132e+02 2.705610132e+02 1.30 2.508909022e+02 2.508909022e+02 1.32 2.327674544e+02 2.327674544e+02 1.34 2.160530003e+02 2.160530003e+02 1.36 2.006228080e+02 2.006228080e+02 1.38 1.863650587e+02 1.863650587e+02 1.40 1.731779852e+02 1.731779852e+02 1.42 1.609706180e+02 1.609706180e+02 1.44 1.496599563e+02 1.496599563e+02 1.46 1.391709006e+02 1.391709006e+02 1.48 1.294351200e+02 1.294351200e+02 1.50 1.203911215e+02 1.203911215e+02 1.52 1.119830390e+02 1.119830390e+02 1.54 1.041594641e+02 1.041594641e+02 1.56 9.687453137e+01 9.687453137e+01 1.58 9.008658973e+01 9.008658973e+01 1.60 8.375714872e+01 8.375714872e+01 1.62 7.785134237e+01 7.785134237e+01 1.64 7.233681032e+01 7.233681032e+01 1.66 6.718487209e+01 6.718487209e+01 1.68 6.236909707e+01 6.236909707e+01 1.70 5.786514141e+01 5.786514141e+01 1.72 5.365063254e+01 5.365063254e+01 1.74 4.970514980e+01 4.970514980e+01 1.76 4.600988963e+01 4.600988963e+01 1.78 4.254767117e+01 4.254767117e+01 1.80 3.930244543e+01 3.930244543e+01 1.82 3.625947667e+01 3.625947667e+01 1.84 3.340523076e+01 3.340523076e+01 1.86 3.072961823e+01 3.072961823e+01 1.88 2.820121642e+01 2.820121642e+01 1.90 2.584336209e+01 2.584336209e+01 1.92 2.363365014e+01 2.363365014e+01 1.94 2.156299482e+01 2.156299482e+01 1.96 1.962345572e+01 1.962345572e+01 1.98 1.780747504e+01 1.780747504e+01 2.00 1.610814719e+01 1.610814719e+01 2.02 1.451892775e+01 1.451892775e+01 2.04 1.303365166e+01 1.303365166e+01 2.06 1.164633202e+01 1.164633202e+01 2.08 1.035141087e+01 1.035141087e+01 2.10 9.144045611e+00 9.144045611e+00 2.12 8.019379896e+00 8.019379896e+00 2.14 6.972733885e+00 6.972733885e+00 2.16 5.999683207e+00 5.999683207e+00 2.18 5.096067118e+00 5.096067118e+00 2.20 4.258002476e+00 4.258002476e+00 2.22 3.481578203e+00 3.481578203e+00 2.24 2.763414290e+00 2.763414290e+00 2.26 2.100239680e+00 2.100239680e+00 2.28 1.488872022e+00 1.488872022e+00 2.30 9.262733970e-01 9.262733970e-01 2.32 4.095374072e-01 4.095374072e-01 2.34 -6.402127402e-02 -6.402127402e-02 2.36 -4.969444281e-01 -4.969444281e-01 2.38 -8.917995206e-01 -8.917995206e-01 2.40 -1.250941668e+00 -1.250941668e+00 2.42 -1.576496110e+00 -1.576496110e+00 2.44 -1.870360887e+00 -1.870360887e+00 2.46 -2.134878467e+00 -2.134878467e+00 2.48 -2.371987723e+00 -2.371987723e+00 2.50 -2.583522915e+00 -2.583522915e+00 2.52 -2.771224121e+00 -2.771224121e+00 2.54 -2.936740778e+00 -2.936740778e+00 2.56 -3.081635055e+00 -3.081635055e+00 2.58 -3.207385092e+00 -3.207385092e+00 2.60 -3.315388142e+00 -3.315388142e+00 2.62 -3.406963617e+00 -3.406963617e+00 2.64 -3.483356101e+00 -3.483356101e+00 2.66 -3.545777862e+00 -3.545777862e+00 2.68 -3.595283481e+00 -3.595283481e+00 2.70 -3.632589204e+00 -3.632589204e+00 2.72 -3.658907145e+00 -3.658907145e+00 2.74 -3.675250316e+00 -3.675250316e+00 2.76 -3.682473697e+00 -3.682473697e+00 2.78 -3.681722402e+00 -3.681722402e+00 2.80 -3.673730815e+00 -3.673730815e+00 2.82 -3.658868710e+00 -3.658868710e+00 2.84 -3.637784533e+00 -3.637784533e+00 2.86 -3.611083071e+00 -3.611083071e+00 2.88 -3.579327235e+00 -3.579327235e+00 2.90 -3.543087448e+00 -3.543087448e+00 2.92 -3.503319381e+00 -3.503319381e+00 2.94 -3.459918249e+00 -3.459918249e+00 2.96 -3.413304535e+00 -3.413304535e+00 2.98 -3.363867484e+00 -3.363867484e+00 3.00 -3.311967001e+00 -3.311967001e+00 3.02 -3.257935433e+00 -3.257935433e+00 3.04 -3.202079292e+00 -3.202079292e+00 3.06 -3.144699265e+00 -3.144699265e+00 3.08 -3.085248808e+00 -3.085248808e+00 3.10 -3.024189301e+00 -3.024189301e+00 3.12 -2.962402949e+00 -2.962402949e+00 3.14 -2.900050369e+00 -2.900050369e+00 3.16 -2.837242041e+00 -2.837242041e+00 3.18 -2.774222368e+00 -2.774222368e+00 3.20 -2.711143054e+00 -2.711143054e+00 3.22 -2.648138887e+00 -2.648138887e+00 3.24 -2.585326568e+00 -2.585326568e+00 3.26 -2.523103870e+00 -2.523103870e+00 3.28 -2.461368964e+00 -2.461368964e+00 3.30 -2.400111702e+00 -2.400111702e+00 3.32 -2.339412631e+00 -2.339412631e+00 3.34 -2.279344149e+00 -2.279344149e+00 3.36 -2.219970478e+00 -2.219970478e+00 3.38 -2.161348590e+00 -2.161348590e+00 3.40 -2.103556933e+00 -2.103556933e+00 3.42 -2.046993683e+00 -2.046993683e+00 3.44 -1.991293629e+00 -1.991293629e+00 3.46 -1.936490506e+00 -1.936490506e+00 3.48 -1.882614060e+00 -1.882614060e+00 3.50 -1.829688180e+00 -1.829688180e+00 3.52 -1.777734293e+00 -1.777734293e+00 3.54 -1.726767653e+00 -1.726767653e+00 3.56 -1.676802517e+00 -1.676802517e+00 3.58 -1.627846673e+00 -1.627846673e+00 3.60 -1.579910881e+00 -1.579910881e+00 3.62 -1.532995505e+00 -1.532995505e+00 3.64 -1.487097754e+00 -1.487097754e+00 3.66 -1.442233300e+00 -1.442233300e+00 3.68 -1.398408980e+00 -1.398408980e+00 3.70 -1.355554529e+00 -1.355554529e+00 3.72 -1.313600222e+00 -1.313600222e+00 3.74 -1.272514702e+00 -1.272514702e+00 3.76 -1.232322903e+00 -1.232322903e+00 3.78 -1.193081113e+00 -1.193081113e+00 3.80 -1.154832448e+00 -1.154832448e+00 3.82 -1.117578357e+00 -1.117578357e+00 3.84 -1.081277992e+00 -1.081277992e+00 3.86 -1.045910772e+00 -1.045910772e+00 3.88 -1.011473063e+00 -1.011473063e+00 3.90 -9.779555668e-01 -9.779555668e-01 3.92 -9.453435800e-01 -9.453435800e-01 3.94 -9.135569111e-01 -9.135569111e-01 3.96 -8.825268215e-01 -8.825268215e-01 3.98 -8.523322359e-01 -8.523322359e-01 4.00 -8.230099231e-01 -8.230099231e-01 4.02 -7.944826599e-01 -7.944826599e-01 4.04 -7.668153503e-01 -7.668153503e-01 4.06 -7.400953793e-01 -7.400953793e-01 4.08 -7.144178461e-01 -7.144178461e-01 4.10 -6.899046284e-01 -6.899046284e-01 4.12 -6.663935067e-01 -6.663935067e-01 4.14 -6.437355489e-01 -6.437355489e-01 4.16 -6.219022661e-01 -6.219022661e-01 4.18 -6.007466492e-01 -6.007466492e-01 4.20 -5.800186476e-01 -5.800186476e-01 4.22 -5.595389715e-01 -5.595389715e-01 4.24 -5.391853081e-01 -5.391853081e-01 4.26 -5.188803885e-01 -5.188803885e-01 4.28 -4.985820964e-01 -4.985820964e-01 4.30 -4.782753079e-01 -4.782753079e-01 4.32 -4.579525330e-01 -4.579525330e-01 4.34 -4.375859943e-01 -4.375859943e-01 4.36 -4.172702244e-01 -4.172702244e-01 4.38 -3.971023003e-01 -3.971023003e-01 4.40 -3.771182430e-01 -3.771182430e-01 4.42 -3.574231814e-01 -3.574231814e-01 4.44 -3.381449523e-01 -3.381449523e-01 4.46 -3.193810535e-01 -3.193810535e-01 4.48 -3.012038886e-01 -3.012038886e-01 4.50 -2.836651979e-01 -2.836651979e-01 4.52 -2.667997933e-01 -2.667997933e-01 4.54 -2.506287018e-01 -2.506287018e-01 4.56 -2.351616831e-01 -2.351616831e-01 4.58 -2.203894096e-01 -2.203894096e-01 4.60 -2.066001057e-01 -2.066001057e-01 4.62 -1.937581558e-01 -1.937581558e-01 4.64 -1.815504336e-01 -1.815504336e-01 4.66 -1.699673450e-01 -1.699673450e-01 4.68 -1.589873224e-01 -1.589873224e-01 4.70 -1.485875165e-01 -1.485875165e-01 4.72 -1.387443187e-01 -1.387443187e-01 4.74 -1.294337484e-01 -1.294337484e-01 4.76 -1.206317647e-01 -1.206317647e-01 4.78 -1.123145124e-01 -1.123145124e-01 4.80 -1.044469605e-01 -1.044469605e-01 4.82 -9.735986065e-02 -9.735986065e-02 4.84 -9.080069906e-02 -9.080069906e-02 4.86 -8.460450449e-02 -8.460450449e-02 4.88 -7.875261057e-02 -7.875261057e-02 4.90 -7.322706013e-02 -7.322706013e-02 4.92 -6.801062540e-02 -6.801062540e-02 4.94 -6.308681726e-02 -6.308681726e-02 4.96 -5.843988497e-02 -5.843988497e-02 4.98 -5.405480897e-02 -5.405480897e-02 5.00 -4.991728839e-02 -4.991728839e-02 5.02 -4.601372457e-02 -4.601372457e-02 5.04 -4.233120132e-02 -4.233120132e-02 5.06 -3.885746205e-02 -3.885746205e-02 5.08 -3.558088592e-02 -3.558088592e-02 5.10 -3.249046292e-02 -3.249046292e-02 5.12 -2.957576861e-02 -2.957576861e-02 5.14 -2.682693820e-02 -2.682693820e-02 5.16 -2.423464070e-02 -2.423464070e-02 5.18 -2.179005365e-02 -2.179005365e-02 5.20 -1.948483836e-02 -1.948483836e-02 5.22 -1.731111592e-02 -1.731111592e-02 5.24 -1.526144347e-02 -1.526144347e-02 5.26 -1.332877630e-02 -1.332877630e-02 5.28 -1.150747470e-02 -1.150747470e-02 5.30 -9.812913680e-03 -9.812913680e-03 5.32 -8.699560968e-03 -8.699560968e-03 5.34 -7.668729806e-03 -7.668729806e-03 5.36 -6.703619090e-03 -6.703619090e-03 5.38 -5.796700571e-03 -5.796700571e-03 5.40 -4.944530963e-03 -4.944530963e-03 5.42 -4.143866560e-03 -4.143866560e-03 5.44 -3.391651907e-03 -3.391651907e-03 5.46 -2.685009133e-03 -2.685009133e-03 5.48 -2.021227896e-03 -2.021227896e-03 5.50 -1.397755884e-03 -1.397755884e-03 5.52 -8.121897075e-04 -8.121897075e-04 5.54 -2.587356944e-04 -2.587356944e-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 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