# 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 = CuNiPd2 # 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 5.957591013e+02 5.957591013e+02 0.98 5.414292368e+02 5.414292368e+02 1.00 4.925149978e+02 4.925149978e+02 1.02 4.484383596e+02 4.484383596e+02 1.04 4.086914936e+02 4.086914936e+02 1.06 3.728189048e+02 3.728189048e+02 1.08 3.404153318e+02 3.404153318e+02 1.10 3.111238548e+02 3.111238548e+02 1.12 2.846193720e+02 2.846193720e+02 1.14 2.606114317e+02 2.606114317e+02 1.16 2.388433887e+02 2.388433887e+02 1.18 2.190871160e+02 2.190871160e+02 1.20 2.011360144e+02 2.011360144e+02 1.22 1.848042499e+02 1.848042499e+02 1.24 1.699334189e+02 1.699334189e+02 1.26 1.563759457e+02 1.563759457e+02 1.28 1.440010625e+02 1.440010625e+02 1.30 1.326891101e+02 1.326891101e+02 1.32 1.223369262e+02 1.223369262e+02 1.34 1.128526684e+02 1.128526684e+02 1.36 1.041533968e+02 1.041533968e+02 1.38 9.616355546e+01 9.616355546e+01 1.40 8.881651311e+01 8.881651311e+01 1.42 8.205175142e+01 8.205175142e+01 1.44 7.581641029e+01 7.581641029e+01 1.46 7.006288622e+01 7.006288622e+01 1.48 6.474871561e+01 6.474871561e+01 1.50 5.983536670e+01 5.983536670e+01 1.52 5.528829551e+01 5.528829551e+01 1.54 5.107588068e+01 5.107588068e+01 1.56 4.716938095e+01 4.716938095e+01 1.58 4.354338415e+01 4.354338415e+01 1.60 4.017677973e+01 4.017677973e+01 1.62 3.704889399e+01 3.704889399e+01 1.64 3.414078165e+01 3.414078165e+01 1.66 3.143546817e+01 3.143546817e+01 1.68 2.891747195e+01 2.891747195e+01 1.70 2.657256874e+01 2.657256874e+01 1.72 2.438723726e+01 2.438723726e+01 1.74 2.235082382e+01 2.235082382e+01 1.76 2.045072155e+01 2.045072155e+01 1.78 1.868223747e+01 1.868223747e+01 1.80 1.701541789e+01 1.701541789e+01 1.82 1.545146172e+01 1.545146172e+01 1.84 1.398664233e+01 1.398664233e+01 1.86 1.260260852e+01 1.260260852e+01 1.88 1.129598454e+01 1.129598454e+01 1.90 1.006476549e+01 1.006476549e+01 1.92 8.906230055e+00 8.906230055e+00 1.94 7.816972870e+00 7.816972870e+00 1.96 6.795458778e+00 6.795458778e+00 1.98 5.838970811e+00 5.838970811e+00 2.00 4.944872253e+00 4.944872253e+00 2.02 4.110580427e+00 4.110580427e+00 2.04 3.333501141e+00 3.333501141e+00 2.06 2.611531287e+00 2.611531287e+00 2.08 1.941488022e+00 1.941488022e+00 2.10 1.320792957e+00 1.320792957e+00 2.12 7.466717289e-01 7.466717289e-01 2.14 2.171321530e-01 2.171321530e-01 2.16 -2.700687220e-01 -2.700687220e-01 2.18 -7.170619521e-01 -7.170619521e-01 2.20 -1.125388937e+00 -1.125388937e+00 2.22 -1.497739009e+00 -1.497739009e+00 2.24 -1.836325613e+00 -1.836325613e+00 2.26 -2.143110157e+00 -2.143110157e+00 2.28 -2.419979810e+00 -2.419979810e+00 2.30 -2.668620157e+00 -2.668620157e+00 2.32 -2.890938333e+00 -2.890938333e+00 2.34 -3.088223023e+00 -3.088223023e+00 2.36 -3.262180054e+00 -3.262180054e+00 2.38 -3.414559704e+00 -3.414559704e+00 2.40 -3.546823947e+00 -3.546823947e+00 2.42 -3.660138491e+00 -3.660138491e+00 2.44 -3.756041253e+00 -3.756041253e+00 2.46 -3.835794256e+00 -3.835794256e+00 2.48 -3.900644237e+00 -3.900644237e+00 2.50 -3.951835588e+00 -3.951835588e+00 2.52 -3.990614968e+00 -3.990614968e+00 2.54 -4.017807827e+00 -4.017807827e+00 2.56 -4.034180036e+00 -4.034180036e+00 2.58 -4.040611970e+00 -4.040611970e+00 2.60 -4.038613336e+00 -4.038613336e+00 2.62 -4.028140293e+00 -4.028140293e+00 2.64 -4.010136979e+00 -4.010136979e+00 2.66 -3.985486271e+00 -3.985486271e+00 2.68 -3.954836452e+00 -3.954836452e+00 2.70 -3.918528747e+00 -3.918528747e+00 2.72 -3.876834322e+00 -3.876834322e+00 2.74 -3.830721329e+00 -3.830721329e+00 2.76 -3.780225913e+00 -3.780225913e+00 2.78 -3.726398235e+00 -3.726398235e+00 2.80 -3.669829277e+00 -3.669829277e+00 2.82 -3.610602223e+00 -3.610602223e+00 2.84 -3.549086810e+00 -3.549086810e+00 2.86 -3.485624754e+00 -3.485624754e+00 2.88 -3.420531315e+00 -3.420531315e+00 2.90 -3.354096804e+00 -3.354096804e+00 2.92 -3.286588025e+00 -3.286588025e+00 2.94 -3.218258975e+00 -3.218258975e+00 2.96 -3.149707867e+00 -3.149707867e+00 2.98 -3.079527447e+00 -3.079527447e+00 3.00 -3.008758784e+00 -3.008758784e+00 3.02 -2.938027609e+00 -2.938027609e+00 3.04 -2.867668318e+00 -2.867668318e+00 3.06 -2.797877187e+00 -2.797877187e+00 3.08 -2.728502163e+00 -2.728502163e+00 3.10 -2.659656954e+00 -2.659656954e+00 3.12 -2.591439963e+00 -2.591439963e+00 3.14 -2.523938657e+00 -2.523938657e+00 3.16 -2.457230420e+00 -2.457230420e+00 3.18 -2.391383327e+00 -2.391383327e+00 3.20 -2.326456868e+00 -2.326456868e+00 3.22 -2.262502724e+00 -2.262502724e+00 3.24 -2.199560567e+00 -2.199560567e+00 3.26 -2.138264788e+00 -2.138264788e+00 3.28 -2.078236605e+00 -2.078236605e+00 3.30 -2.019277325e+00 -2.019277325e+00 3.32 -1.961414433e+00 -1.961414433e+00 3.34 -1.904671600e+00 -1.904671600e+00 3.36 -1.849036594e+00 -1.849036594e+00 3.38 -1.794504411e+00 -1.794504411e+00 3.40 -1.741068814e+00 -1.741068814e+00 3.42 -1.688666988e+00 -1.688666988e+00 3.44 -1.637259117e+00 -1.637259117e+00 3.46 -1.586918666e+00 -1.586918666e+00 3.48 -1.537742349e+00 -1.537742349e+00 3.50 -1.489734867e+00 -1.489734867e+00 3.52 -1.442866131e+00 -1.442866131e+00 3.54 -1.397128230e+00 -1.397128230e+00 3.56 -1.352473931e+00 -1.352473931e+00 3.58 -1.308807849e+00 -1.308807849e+00 3.60 -1.266066559e+00 -1.266066559e+00 3.62 -1.224290116e+00 -1.224290116e+00 3.64 -1.183554153e+00 -1.183554153e+00 3.66 -1.143910186e+00 -1.143910186e+00 3.68 -1.105342305e+00 -1.105342305e+00 3.70 -1.067817284e+00 -1.067817284e+00 3.72 -1.031308167e+00 -1.031308167e+00 3.74 -9.957888511e-01 -9.957888511e-01 3.76 -9.612309302e-01 -9.612309302e-01 3.78 -9.276196896e-01 -9.276196896e-01 3.80 -8.949425129e-01 -8.949425129e-01 3.82 -8.631807791e-01 -8.631807791e-01 3.84 -8.323091277e-01 -8.323091277e-01 3.86 -8.022777596e-01 -8.022777596e-01 3.88 -7.730626172e-01 -7.730626172e-01 3.90 -7.446813305e-01 -7.446813305e-01 3.92 -7.171233475e-01 -7.171233475e-01 3.94 -6.903434924e-01 -6.903434924e-01 3.96 -6.643090625e-01 -6.643090625e-01 3.98 -6.390677922e-01 -6.390677922e-01 4.00 -6.146923569e-01 -6.146923569e-01 4.02 -5.911908648e-01 -5.911908648e-01 4.04 -5.684989578e-01 -5.684989578e-01 4.06 -5.465663065e-01 -5.465663065e-01 4.08 -5.253860269e-01 -5.253860269e-01 4.10 -5.049703655e-01 -5.049703655e-01 4.12 -4.851833599e-01 -4.851833599e-01 4.14 -4.658724128e-01 -4.658724128e-01 4.16 -4.469669429e-01 -4.469669429e-01 4.18 -4.286081982e-01 -4.286081982e-01 4.20 -4.104735478e-01 -4.104735478e-01 4.22 -3.925132035e-01 -3.925132035e-01 4.24 -3.746964477e-01 -3.746964477e-01 4.26 -3.570561516e-01 -3.570561516e-01 4.28 -3.395943243e-01 -3.395943243e-01 4.30 -3.229621117e-01 -3.229621117e-01 4.32 -3.068835238e-01 -3.068835238e-01 4.34 -2.910796165e-01 -2.910796165e-01 4.36 -2.755856097e-01 -2.755856097e-01 4.38 -2.604662003e-01 -2.604662003e-01 4.40 -2.457708390e-01 -2.457708390e-01 4.42 -2.315361989e-01 -2.315361989e-01 4.44 -2.177882782e-01 -2.177882782e-01 4.46 -2.045441992e-01 -2.045441992e-01 4.48 -1.918137427e-01 -1.918137427e-01 4.50 -1.796006572e-01 -1.796006572e-01 4.52 -1.679037722e-01 -1.679037722e-01 4.54 -1.567179417e-01 -1.567179417e-01 4.56 -1.460348450e-01 -1.460348450e-01 4.58 -1.358451381e-01 -1.358451381e-01 4.60 -1.264431402e-01 -1.264431402e-01 4.62 -1.177857847e-01 -1.177857847e-01 4.64 -1.095409069e-01 -1.095409069e-01 4.66 -1.016945313e-01 -1.016945313e-01 4.68 -9.423218851e-02 -9.423218851e-02 4.70 -8.713912550e-02 -8.713912550e-02 4.72 -8.040047795e-02 -8.040047795e-02 4.74 -7.400141133e-02 -7.400141133e-02 4.76 -6.792723470e-02 -6.792723470e-02 4.78 -6.216666400e-02 -6.216666400e-02 4.80 -5.672220464e-02 -5.672220464e-02 4.82 -5.206462383e-02 -5.206462383e-02 4.84 -4.766666867e-02 -4.766666867e-02 4.86 -4.349576525e-02 -4.349576525e-02 4.88 -3.953967875e-02 -3.953967875e-02 4.90 -3.578809040e-02 -3.578809040e-02 4.92 -3.223081136e-02 -3.223081136e-02 4.94 -2.883523217e-02 -2.883523217e-02 4.96 -2.602696755e-02 -2.602696755e-02 4.98 -2.375067588e-02 -2.375067588e-02 5.00 -2.157842083e-02 -2.157842083e-02 5.02 -1.952154749e-02 -1.952154749e-02 5.04 -1.757426348e-02 -1.757426348e-02 5.06 -1.573092810e-02 -1.573092810e-02 5.08 -1.398616409e-02 -1.398616409e-02 5.10 -1.233484990e-02 -1.233484990e-02 5.12 -1.077211132e-02 -1.077211132e-02 5.14 -9.293312722e-03 -9.293312722e-03 5.16 -7.894047981e-03 -7.894047981e-03 5.18 -6.570131346e-03 -6.570131346e-03 5.20 -5.317588196e-03 -5.317588196e-03 5.22 -4.132645875e-03 -4.132645875e-03 5.24 -3.011724662e-03 -3.011724662e-03 5.26 -1.951428906e-03 -1.951428906e-03 5.28 -9.491535811e-04 -9.491535811e-04 5.30 -1.488293452e-15 -1.487777856e-15 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 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