# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = CoPd2Pt # 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 2024-04-11 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 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 2.938166406e+02 2.938166406e+02 1.30 2.726449252e+02 2.726449252e+02 1.32 2.529569554e+02 2.529569554e+02 1.34 2.346408115e+02 2.346408115e+02 1.36 2.175941416e+02 2.175941416e+02 1.38 2.017211850e+02 2.017211850e+02 1.40 1.869328512e+02 1.869328512e+02 1.42 1.731482752e+02 1.731482752e+02 1.44 1.602951100e+02 1.602951100e+02 1.46 1.483078229e+02 1.483078229e+02 1.48 1.371253432e+02 1.371253432e+02 1.50 1.266895392e+02 1.266895392e+02 1.52 1.169447516e+02 1.169447516e+02 1.54 1.078379664e+02 1.078379664e+02 1.56 9.931950996e+01 9.931950996e+01 1.58 9.134404609e+01 9.134404609e+01 1.60 8.387121182e+01 8.387121182e+01 1.62 7.686537697e+01 7.686537697e+01 1.64 7.029470018e+01 7.029470018e+01 1.66 6.413018173e+01 6.413018173e+01 1.68 5.834527118e+01 5.834527118e+01 1.70 5.293836374e+01 5.293836374e+01 1.72 4.796441246e+01 4.796441246e+01 1.74 4.339787612e+01 4.339787612e+01 1.76 3.920659723e+01 3.920659723e+01 1.78 3.535976346e+01 3.535976346e+01 1.80 3.182820715e+01 3.182820715e+01 1.82 2.858502596e+01 2.858502596e+01 1.84 2.560598400e+01 2.560598400e+01 1.86 2.286949332e+01 2.286949332e+01 1.88 2.035630118e+01 2.035630118e+01 1.90 1.804909617e+01 1.804909617e+01 1.92 1.593215824e+01 1.593215824e+01 1.94 1.399106686e+01 1.399106686e+01 1.96 1.221245558e+01 1.221245558e+01 1.98 1.058383536e+01 1.058383536e+01 2.00 9.093509910e+00 9.093509910e+00 2.02 7.730562261e+00 7.730562261e+00 2.04 6.484862442e+00 6.484862442e+00 2.06 5.347057850e+00 5.347057850e+00 2.08 4.308534681e+00 4.308534681e+00 2.10 3.361358706e+00 3.361358706e+00 2.12 2.498212233e+00 2.498212233e+00 2.14 1.712343738e+00 1.712343738e+00 2.16 9.975386529e-01 9.975386529e-01 2.18 3.481077062e-01 3.481077062e-01 2.20 -2.411199398e-01 -2.411199398e-01 2.22 -7.748118506e-01 -7.748118506e-01 2.24 -1.257161919e+00 -1.257161919e+00 2.26 -1.691933064e+00 -1.691933064e+00 2.28 -2.082508512e+00 -2.082508512e+00 2.30 -2.431947772e+00 -2.431947772e+00 2.32 -2.743044795e+00 -2.743044795e+00 2.34 -3.018385974e+00 -3.018385974e+00 2.36 -3.260404864e+00 -3.260404864e+00 2.38 -3.471429772e+00 -3.471429772e+00 2.40 -3.653852274e+00 -3.653852274e+00 2.42 -3.811224913e+00 -3.811224913e+00 2.44 -3.945703686e+00 -3.945703686e+00 2.46 -4.059030997e+00 -4.059030997e+00 2.48 -4.152987922e+00 -4.152987922e+00 2.50 -4.229377692e+00 -4.229377692e+00 2.52 -4.289998655e+00 -4.289998655e+00 2.54 -4.336603833e+00 -4.336603833e+00 2.56 -4.370885538e+00 -4.370885538e+00 2.58 -4.394345253e+00 -4.394345253e+00 2.60 -4.408253927e+00 -4.408253927e+00 2.62 -4.413680250e+00 -4.413680250e+00 2.64 -4.411486556e+00 -4.411486556e+00 2.66 -4.402508773e+00 -4.402508773e+00 2.68 -4.387823364e+00 -4.387823364e+00 2.70 -4.367556191e+00 -4.367556191e+00 2.72 -4.341739324e+00 -4.341739324e+00 2.74 -4.310393860e+00 -4.310393860e+00 2.76 -4.273553615e+00 -4.273553615e+00 2.78 -4.231294771e+00 -4.231294771e+00 2.80 -4.183735691e+00 -4.183735691e+00 2.82 -4.131038822e+00 -4.131038822e+00 2.84 -4.073443620e+00 -4.073443620e+00 2.86 -4.011300975e+00 -4.011300975e+00 2.88 -3.945018307e+00 -3.945018307e+00 2.90 -3.875060586e+00 -3.875060586e+00 2.92 -3.801954239e+00 -3.801954239e+00 2.94 -3.726281737e+00 -3.726281737e+00 2.96 -3.648665164e+00 -3.648665164e+00 2.98 -3.569739624e+00 -3.569739624e+00 3.00 -3.490120146e+00 -3.490120146e+00 3.02 -3.410367795e+00 -3.410367795e+00 3.04 -3.330961162e+00 -3.330961162e+00 3.06 -3.252278078e+00 -3.252278078e+00 3.08 -3.174589743e+00 -3.174589743e+00 3.10 -3.098066651e+00 -3.098066651e+00 3.12 -3.022793379e+00 -3.022793379e+00 3.14 -2.948788308e+00 -2.948788308e+00 3.16 -2.876046441e+00 -2.876046441e+00 3.18 -2.804596258e+00 -2.804596258e+00 3.20 -2.734441798e+00 -2.734441798e+00 3.22 -2.665564444e+00 -2.665564444e+00 3.24 -2.597936505e+00 -2.597936505e+00 3.26 -2.531529965e+00 -2.531529965e+00 3.28 -2.466321589e+00 -2.466321589e+00 3.30 -2.402295471e+00 -2.402295471e+00 3.32 -2.339443811e+00 -2.339443811e+00 3.34 -2.277766539e+00 -2.277766539e+00 3.36 -2.217270179e+00 -2.217270179e+00 3.38 -2.157966276e+00 -2.157966276e+00 3.40 -2.099869601e+00 -2.099869601e+00 3.42 -2.042996329e+00 -2.042996329e+00 3.44 -1.987362297e+00 -1.987362297e+00 3.46 -1.932981458e+00 -1.932981458e+00 3.48 -1.879864570e+00 -1.879864570e+00 3.50 -1.828018142e+00 -1.828018142e+00 3.52 -1.777443632e+00 -1.777443632e+00 3.54 -1.728136870e+00 -1.728136870e+00 3.56 -1.680087691e+00 -1.680087691e+00 3.58 -1.633279738e+00 -1.633279738e+00 3.60 -1.587690434e+00 -1.587690434e+00 3.62 -1.543291099e+00 -1.543291099e+00 3.64 -1.500047228e+00 -1.500047228e+00 3.66 -1.457918927e+00 -1.457918927e+00 3.68 -1.416861517e+00 -1.416861517e+00 3.70 -1.376826298e+00 -1.376826298e+00 3.72 -1.337761456e+00 -1.337761456e+00 3.74 -1.299613092e+00 -1.299613092e+00 3.76 -1.262326306e+00 -1.262326306e+00 3.78 -1.225846301e+00 -1.225846301e+00 3.80 -1.190119423e+00 -1.190119423e+00 3.82 -1.155094087e+00 -1.155094087e+00 3.84 -1.120721568e+00 -1.120721568e+00 3.86 -1.086956604e+00 -1.086956604e+00 3.88 -1.053757865e+00 -1.053757865e+00 3.90 -1.021088306e+00 -1.021088306e+00 3.92 -9.889154849e-01 -9.889154849e-01 3.94 -9.572119132e-01 -9.572119132e-01 3.96 -9.259555114e-01 -9.259555114e-01 3.98 -8.951302242e-01 -8.951302242e-01 4.00 -8.647267915e-01 -8.647267915e-01 4.02 -8.347436348e-01 -8.347436348e-01 4.04 -8.051877551e-01 -8.051877551e-01 4.06 -7.760754876e-01 -7.760754876e-01 4.08 -7.474329260e-01 -7.474329260e-01 4.10 -7.192958187e-01 -7.192958187e-01 4.12 -6.917087920e-01 -6.917087920e-01 4.14 -6.647237538e-01 -6.647237538e-01 4.16 -6.383975489e-01 -6.383975489e-01 4.18 -6.127889258e-01 -6.127889258e-01 4.20 -5.879550609e-01 -5.879550609e-01 4.22 -5.639479389e-01 -5.639479389e-01 4.24 -5.408109330e-01 -5.408109330e-01 4.26 -5.185759121e-01 -5.185759121e-01 4.28 -4.972611401e-01 -4.972611401e-01 4.30 -4.768701314e-01 -4.768701314e-01 4.32 -4.573915067e-01 -4.573915067e-01 4.34 -4.387997755e-01 -4.387997755e-01 4.36 -4.210568818e-01 -4.210568818e-01 4.38 -4.041142865e-01 -4.041142865e-01 4.40 -3.879153457e-01 -3.879153457e-01 4.42 -3.723977600e-01 -3.723977600e-01 4.44 -3.574959126e-01 -3.574959126e-01 4.46 -3.431429748e-01 -3.431429748e-01 4.48 -3.292727136e-01 -3.292727136e-01 4.50 -3.158209932e-01 -3.158209932e-01 4.52 -3.027269972e-01 -3.027269972e-01 4.54 -2.899342254e-01 -2.899342254e-01 4.56 -2.773913260e-01 -2.773913260e-01 4.58 -2.650528208e-01 -2.650528208e-01 4.60 -2.528797679e-01 -2.528797679e-01 4.62 -2.408403863e-01 -2.408403863e-01 4.64 -2.289106435e-01 -2.289106435e-01 4.66 -2.170747860e-01 -2.170747860e-01 4.68 -2.053257696e-01 -2.053257696e-01 4.70 -1.936655318e-01 -1.936655318e-01 4.72 -1.821050412e-01 -1.821050412e-01 4.74 -1.706640583e-01 -1.706640583e-01 4.76 -1.593705564e-01 -1.593705564e-01 4.78 -1.482597701e-01 -1.482597701e-01 4.80 -1.373728724e-01 -1.373728724e-01 4.82 -1.267553184e-01 -1.267553184e-01 4.84 -1.164549161e-01 -1.164549161e-01 4.86 -1.065197418e-01 -1.065197418e-01 4.88 -9.699601393e-02 -9.699601393e-02 4.90 -8.792606372e-02 -8.792606372e-02 4.92 -7.934653183e-02 -7.934653183e-02 4.94 -7.128689840e-02 -7.128689840e-02 4.96 -6.376844597e-02 -6.376844597e-02 4.98 -5.680367262e-02 -5.680367262e-02 5.00 -5.039617224e-02 -5.039617224e-02 5.02 -4.454096232e-02 -4.454096232e-02 5.04 -3.922555878e-02 -3.922555878e-02 5.06 -3.443035662e-02 -3.443035662e-02 5.08 -3.012957538e-02 -3.012957538e-02 5.10 -2.629329935e-02 -2.629329935e-02 5.12 -2.288873071e-02 -2.288873071e-02 5.14 -1.988138801e-02 -1.988138801e-02 5.16 -1.723618473e-02 -1.723618473e-02 5.18 -1.491837138e-02 -1.491837138e-02 5.20 -1.289419138e-02 -1.289419138e-02 5.22 -1.113155285e-02 -1.113155285e-02 5.24 -9.600737867e-03 -9.600737867e-03 5.26 -8.274278105e-03 -8.274278105e-03 5.28 -7.127095591e-03 -7.127095591e-03 5.30 -6.136540917e-03 -6.136540917e-03 5.32 -5.282344013e-03 -5.282344013e-03 5.34 -4.546503645e-03 -4.546503645e-03 5.36 -3.913137296e-03 -3.913137296e-03 5.38 -3.368308561e-03 -3.368308561e-03 5.40 -2.899845041e-03 -2.899845041e-03 5.42 -2.497156122e-03 -2.497156122e-03 5.44 -2.151057116e-03 -2.151057116e-03 5.46 -1.853603904e-03 -1.853603904e-03 5.48 -1.597940490e-03 -1.597940490e-03 5.50 -1.378160567e-03 -1.378160567e-03 5.52 -1.189183321e-03 -1.189183321e-03 5.54 -1.026643052e-03 -1.026643052e-03 5.56 -8.867918577e-04 -8.867918577e-04 5.58 -7.664143396e-04 -7.664143396e-04 5.60 -6.627532597e-04 -6.627532597e-04 5.62 -5.734449917e-04 -5.734449917e-04 5.64 -4.964636782e-04 -4.964636782e-04 5.66 -4.300730502e-04 -4.300730502e-04 5.68 -3.727849544e-04 -3.727849544e-04 5.70 -3.233237175e-04 -3.233237175e-04 5.72 -2.805955714e-04 -2.805955714e-04 5.74 -2.436624512e-04 -2.436624512e-04 5.76 -2.117195601e-04 -2.117195601e-04 5.78 -1.840761716e-04 -1.840761716e-04 5.80 -1.601392111e-04 -1.601392111e-04 5.82 -1.393992184e-04 -1.393992184e-04 5.84 -1.214183469e-04 -1.214183469e-04 5.86 -1.058201062e-04 -1.058201062e-04 5.88 -9.228059278e-05 -9.228059278e-05 5.90 -8.052099382e-05 -8.052099382e-05 5.92 -7.030117579e-05 -7.030117579e-05 5.94 -6.141420118e-05 -6.141420118e-05 5.96 -5.368163650e-05 -5.368163650e-05 5.98 -4.694953633e-05 -4.694953633e-05 6.00 -4.108500437e-05 -4.108500437e-05