# 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 = Pb2TaZr # 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 5.178939748e+02 5.178939748e+02 1.30 4.848525476e+02 4.848525476e+02 1.32 4.540949642e+02 4.540949642e+02 1.34 4.254456667e+02 4.254456667e+02 1.36 3.987378287e+02 3.987378287e+02 1.38 3.738157970e+02 3.738157970e+02 1.40 3.505374092e+02 3.505374092e+02 1.42 3.287751216e+02 3.287751216e+02 1.44 3.084153708e+02 3.084153708e+02 1.46 2.893563349e+02 2.893563349e+02 1.48 2.715055420e+02 2.715055420e+02 1.50 2.547787212e+02 2.547787212e+02 1.52 2.390995205e+02 2.390995205e+02 1.54 2.243987897e+02 2.243987897e+02 1.56 2.106130064e+02 2.106130064e+02 1.58 1.976824758e+02 1.976824758e+02 1.60 1.855503176e+02 1.855503176e+02 1.62 1.741624761e+02 1.741624761e+02 1.64 1.634683007e+02 1.634683007e+02 1.66 1.534209966e+02 1.534209966e+02 1.68 1.439776680e+02 1.439776680e+02 1.70 1.350988962e+02 1.350988962e+02 1.72 1.267481232e+02 1.267481232e+02 1.74 1.188910919e+02 1.188910919e+02 1.76 1.114955401e+02 1.114955401e+02 1.78 1.045311067e+02 1.045311067e+02 1.80 9.796935034e+01 9.796935034e+01 1.82 9.178375532e+01 9.178375532e+01 1.84 8.594979116e+01 8.594979116e+01 1.86 8.044490958e+01 8.044490958e+01 1.88 7.524844861e+01 7.524844861e+01 1.90 7.034209185e+01 7.034209185e+01 1.92 6.571215715e+01 6.571215715e+01 1.94 6.134315189e+01 6.134315189e+01 1.96 5.722073402e+01 5.722073402e+01 1.98 5.334049679e+01 5.334049679e+01 2.00 4.969434545e+01 4.969434545e+01 2.02 4.627031278e+01 4.627031278e+01 2.04 4.305688444e+01 4.305688444e+01 2.06 4.004271628e+01 4.004271628e+01 2.08 3.721653628e+01 3.721653628e+01 2.10 3.456721136e+01 3.456721136e+01 2.12 3.208388584e+01 3.208388584e+01 2.14 2.975613000e+01 2.975613000e+01 2.16 2.757403661e+01 2.757403661e+01 2.18 2.552826978e+01 2.552826978e+01 2.20 2.361008257e+01 2.361008257e+01 2.22 2.181130812e+01 2.181130812e+01 2.24 2.012433658e+01 2.012433658e+01 2.26 1.854208234e+01 1.854208234e+01 2.28 1.705794412e+01 1.705794412e+01 2.30 1.566576332e+01 1.566576332e+01 2.32 1.435978283e+01 1.435978283e+01 2.34 1.313459355e+01 1.313459355e+01 2.36 1.198510533e+01 1.198510533e+01 2.38 1.090652024e+01 1.090652024e+01 2.40 9.894320473e+00 9.894320473e+00 2.42 8.944263946e+00 8.944263946e+00 2.44 8.052390516e+00 8.052390516e+00 2.46 7.215027127e+00 7.215027127e+00 2.48 6.428793995e+00 6.428793995e+00 2.50 5.690602604e+00 5.690602604e+00 2.52 4.997640390e+00 4.997640390e+00 2.54 4.347341070e+00 4.347341070e+00 2.56 3.737346006e+00 3.737346006e+00 2.58 3.165465512e+00 3.165465512e+00 2.60 2.629647345e+00 2.629647345e+00 2.62 2.127954959e+00 2.127954959e+00 2.64 1.658583708e+00 1.658583708e+00 2.66 1.219846255e+00 1.219846255e+00 2.68 8.100171817e-01 8.100171817e-01 2.70 4.274571089e-01 4.274571089e-01 2.72 7.057228394e-02 7.057228394e-02 2.74 -2.621074275e-01 -2.621074275e-01 2.76 -5.719071660e-01 -5.719071660e-01 2.78 -8.600817297e-01 -8.600817297e-01 2.80 -1.127819238e+00 -1.127819238e+00 2.82 -1.376223889e+00 -1.376223889e+00 2.84 -1.606231389e+00 -1.606231389e+00 2.86 -1.818671993e+00 -1.818671993e+00 2.88 -2.014344022e+00 -2.014344022e+00 2.90 -2.193933573e+00 -2.193933573e+00 2.92 -2.358055027e+00 -2.358055027e+00 2.94 -2.507328662e+00 -2.507328662e+00 2.96 -2.642378566e+00 -2.642378566e+00 2.98 -2.763828085e+00 -2.763828085e+00 3.00 -2.872295363e+00 -2.872295363e+00 3.02 -2.968389425e+00 -2.968389425e+00 3.04 -3.052704730e+00 -3.052704730e+00 3.06 -3.125830751e+00 -3.125830751e+00 3.08 -3.188335097e+00 -3.188335097e+00 3.10 -3.240778146e+00 -3.240778146e+00 3.12 -3.283711614e+00 -3.283711614e+00 3.14 -3.317689527e+00 -3.317689527e+00 3.16 -3.343260657e+00 -3.343260657e+00 3.18 -3.360978196e+00 -3.360978196e+00 3.20 -3.371397677e+00 -3.371397677e+00 3.22 -3.375075325e+00 -3.375075325e+00 3.24 -3.372565563e+00 -3.372565563e+00 3.26 -3.364418446e+00 -3.364418446e+00 3.28 -3.351177296e+00 -3.351177296e+00 3.30 -3.333376099e+00 -3.333376099e+00 3.32 -3.311535826e+00 -3.311535826e+00 3.34 -3.286159010e+00 -3.286159010e+00 3.36 -3.257722545e+00 -3.257722545e+00 3.38 -3.226669486e+00 -3.226669486e+00 3.40 -3.193400074e+00 -3.193400074e+00 3.42 -3.158269864e+00 -3.158269864e+00 3.44 -3.121578916e+00 -3.121578916e+00 3.46 -3.083575909e+00 -3.083575909e+00 3.48 -3.044458637e+00 -3.044458637e+00 3.50 -3.004378014e+00 -3.004378014e+00 3.52 -2.963443549e+00 -2.963443549e+00 3.54 -2.921729640e+00 -2.921729640e+00 3.56 -2.879282167e+00 -2.879282167e+00 3.58 -2.836125006e+00 -2.836125006e+00 3.60 -2.792266270e+00 -2.792266270e+00 3.62 -2.747704373e+00 -2.747704373e+00 3.64 -2.702497185e+00 -2.702497185e+00 3.66 -2.656628128e+00 -2.656628128e+00 3.68 -2.610016718e+00 -2.610016718e+00 3.70 -2.562605558e+00 -2.562605558e+00 3.72 -2.514364298e+00 -2.514364298e+00 3.74 -2.465293257e+00 -2.465293257e+00 3.76 -2.415426325e+00 -2.415426325e+00 3.78 -2.364828792e+00 -2.364828792e+00 3.80 -2.313572764e+00 -2.313572764e+00 3.82 -2.261755604e+00 -2.261755604e+00 3.84 -2.209513557e+00 -2.209513557e+00 3.86 -2.157015262e+00 -2.157015262e+00 3.88 -2.104453012e+00 -2.104453012e+00 3.90 -2.052032369e+00 -2.052032369e+00 3.92 -1.999958811e+00 -1.999958811e+00 3.94 -1.948436643e+00 -1.948436643e+00 3.96 -1.897644888e+00 -1.897644888e+00 3.98 -1.847741112e+00 -1.847741112e+00 4.00 -1.798854564e+00 -1.798854564e+00 4.02 -1.751084746e+00 -1.751084746e+00 4.04 -1.704502204e+00 -1.704502204e+00 4.06 -1.659150929e+00 -1.659150929e+00 4.08 -1.615051750e+00 -1.615051750e+00 4.10 -1.572199888e+00 -1.572199888e+00 4.12 -1.530595013e+00 -1.530595013e+00 4.14 -1.490203634e+00 -1.490203634e+00 4.16 -1.450991205e+00 -1.450991205e+00 4.18 -1.412917202e+00 -1.412917202e+00 4.20 -1.375937385e+00 -1.375937385e+00 4.22 -1.340005626e+00 -1.340005626e+00 4.24 -1.305075355e+00 -1.305075355e+00 4.26 -1.271100675e+00 -1.271100675e+00 4.28 -1.238037215e+00 -1.238037215e+00 4.30 -1.205842742e+00 -1.205842742e+00 4.32 -1.174477595e+00 -1.174477595e+00 4.34 -1.143904961e+00 -1.143904961e+00 4.36 -1.114091025e+00 -1.114091025e+00 4.38 -1.085005002e+00 -1.085005002e+00 4.40 -1.056619086e+00 -1.056619086e+00 4.42 -1.028908320e+00 -1.028908320e+00 4.44 -1.001850408e+00 -1.001850408e+00 4.46 -9.754254781e-01 -9.754254781e-01 4.48 -9.496158142e-01 -9.496158142e-01 4.50 -9.244055735e-01 -9.244055735e-01 4.52 -8.997804951e-01 -8.997804951e-01 4.54 -8.757276167e-01 -8.757276167e-01 4.56 -8.522350073e-01 -8.522350073e-01 4.58 -8.292915223e-01 -8.292915223e-01 4.60 -8.068865878e-01 -8.068865878e-01 4.62 -7.850100163e-01 -7.850100163e-01 4.64 -7.636518540e-01 -7.636518540e-01 4.66 -7.428022611e-01 -7.428022611e-01 4.68 -7.224514202e-01 -7.224514202e-01 4.70 -7.025894716e-01 -7.025894716e-01 4.72 -6.832064711e-01 -6.832064711e-01 4.74 -6.642923648e-01 -6.642923648e-01 4.76 -6.458369790e-01 -6.458369790e-01 4.78 -6.278300192e-01 -6.278300192e-01 4.80 -6.102566525e-01 -6.102566525e-01 4.82 -5.931159436e-01 -5.931159436e-01 4.84 -5.763920068e-01 -5.763920068e-01 4.86 -5.600741786e-01 -5.600741786e-01 4.88 -5.441517290e-01 -5.441517290e-01 4.90 -5.286138806e-01 -5.286138806e-01 4.92 -5.134498311e-01 -5.134498311e-01 4.94 -4.986487811e-01 -4.986487811e-01 4.96 -4.841999687e-01 -4.841999687e-01 4.98 -4.700927134e-01 -4.700927134e-01 5.00 -4.563164685e-01 -4.563164685e-01 5.02 -4.428608853e-01 -4.428608853e-01 5.04 -4.297158868e-01 -4.297158868e-01 5.06 -4.168717511e-01 -4.168717511e-01 5.08 -4.043192020e-01 -4.043192020e-01 5.10 -3.920495043e-01 -3.920495043e-01 5.12 -3.800545576e-01 -3.800545576e-01 5.14 -3.683269862e-01 -3.683269862e-01 5.16 -3.568602164e-01 -3.568602164e-01 5.18 -3.456485369e-01 -3.456485369e-01 5.20 -3.346871371e-01 -3.346871371e-01 5.22 -3.239721183e-01 -3.239721183e-01 5.24 -3.135004776e-01 -3.135004776e-01 5.26 -3.032700640e-01 -3.032700640e-01 5.28 -2.932795122e-01 -2.932795122e-01 5.30 -2.835281574e-01 -2.835281574e-01 5.32 -2.740159393e-01 -2.740159393e-01 5.34 -2.647433002e-01 -2.647433002e-01 5.36 -2.557110801e-01 -2.557110801e-01 5.38 -2.469204093e-01 -2.469204093e-01 5.40 -2.383725942e-01 -2.383725942e-01 5.42 -2.300689900e-01 -2.300689900e-01 5.44 -2.220108527e-01 -2.220108527e-01 5.46 -2.141991663e-01 -2.141991663e-01 5.48 -2.066344449e-01 -2.066344449e-01 5.50 -1.993165173e-01 -1.993165173e-01 5.52 -1.922443067e-01 -1.922443067e-01 5.54 -1.854156271e-01 -1.854156271e-01 5.56 -1.788270156e-01 -1.788270156e-01 5.58 -1.724736223e-01 -1.724736223e-01 5.60 -1.663491699e-01 -1.663491699e-01 5.62 -1.604459910e-01 -1.604459910e-01 5.64 -1.547551379e-01 -1.547551379e-01 5.66 -1.492665562e-01 -1.492665562e-01 5.68 -1.439693046e-01 -1.439693046e-01 5.70 -1.388518026e-01 -1.388518026e-01 5.72 -1.339020883e-01 -1.339020883e-01 5.74 -1.291080693e-01 -1.291080693e-01 5.76 -1.244577558e-01 -1.244577558e-01 5.78 -1.199394683e-01 -1.199394683e-01 5.80 -1.155420165e-01 -1.155420165e-01 5.82 -1.112548482e-01 -1.112548482e-01 5.84 -1.070681694e-01 -1.070681694e-01 5.86 -1.029730410e-01 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