# 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 = NiPd # 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 B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 0.74 nan nan nan nan 9.039865254e+02 9.039865254e+02 nan nan 0.76 nan nan nan nan 8.062061265e+02 8.062061265e+02 nan nan 0.78 nan nan nan nan 7.195275009e+02 7.195275009e+02 nan nan 0.80 nan nan nan nan 6.426223371e+02 6.426223371e+02 nan nan 0.82 nan nan nan nan 5.743283199e+02 5.743283199e+02 nan nan 0.84 nan nan nan nan 5.136399958e+02 5.136399958e+02 nan nan 0.86 7.797121921e+02 7.797121921e+02 nan nan 4.596883727e+02 4.596883727e+02 nan nan 0.88 7.018499377e+02 7.018499377e+02 nan nan 4.117037360e+02 4.117037360e+02 nan nan 0.90 6.321989961e+02 6.321989961e+02 nan nan 3.690069762e+02 3.690069762e+02 nan nan 0.92 5.698664922e+02 5.698664922e+02 nan nan 3.310034508e+02 3.310034508e+02 nan nan 0.94 5.140572895e+02 5.140572895e+02 nan nan 2.971621217e+02 2.971621217e+02 nan nan 0.96 4.640601774e+02 4.640601774e+02 6.601828831e+02 6.601828831e+02 2.670188548e+02 2.670188548e+02 7.061395343e+02 7.061395343e+02 0.98 4.192611624e+02 4.192611624e+02 5.995026539e+02 5.995026539e+02 2.401588409e+02 2.401588409e+02 6.428057925e+02 6.428057925e+02 1.00 3.790930594e+02 3.790930594e+02 5.448751184e+02 5.448751184e+02 2.162103419e+02 2.162103419e+02 5.857192606e+02 5.857192606e+02 1.02 3.430682461e+02 3.430682461e+02 4.956588516e+02 4.956588516e+02 1.948505475e+02 1.948505475e+02 5.342138387e+02 5.342138387e+02 1.04 3.107382401e+02 3.107382401e+02 4.512901655e+02 4.512901655e+02 1.757899035e+02 1.757899035e+02 4.876968356e+02 4.876968356e+02 1.06 2.817128725e+02 2.817128725e+02 4.112661189e+02 4.112661189e+02 1.587704851e+02 1.587704851e+02 4.456432886e+02 4.456432886e+02 1.08 2.556347228e+02 2.556347228e+02 3.751292574e+02 3.751292574e+02 1.435611603e+02 1.435611603e+02 4.075886311e+02 4.075886311e+02 1.10 2.321901659e+02 2.321901659e+02 3.424812517e+02 3.424812517e+02 1.299610503e+02 1.299610503e+02 3.731212642e+02 3.731212642e+02 1.12 2.110996994e+02 2.110996994e+02 3.129565895e+02 3.129565895e+02 1.177857740e+02 1.177857740e+02 3.418717181e+02 3.418717181e+02 1.14 1.921089664e+02 1.921089664e+02 2.862305125e+02 2.862305125e+02 1.068741435e+02 1.068741435e+02 3.135095383e+02 3.135095383e+02 1.16 1.749926203e+02 1.749926203e+02 2.620193354e+02 2.620193354e+02 9.708854307e+01 9.708854307e+01 2.877430674e+02 2.877430674e+02 1.18 1.595512202e+02 1.595512202e+02 2.400645751e+02 2.400645751e+02 8.830254302e+01 8.830254302e+01 2.643084826e+02 2.643084826e+02 1.20 1.456093211e+02 1.456093211e+02 2.201354817e+02 2.201354817e+02 8.040298129e+01 8.040298129e+01 2.429725188e+02 2.429725188e+02 1.22 1.330063845e+02 1.330063845e+02 2.020222389e+02 2.020222389e+02 7.328843079e+01 7.328843079e+01 2.235247893e+02 2.235247893e+02 1.24 1.216004057e+02 1.216004057e+02 1.855463788e+02 1.855463788e+02 6.687450098e+01 6.687450098e+01 2.057801389e+02 2.057801389e+02 1.26 1.112666640e+02 1.112666640e+02 1.705418238e+02 1.705418238e+02 6.108334581e+01 6.108334581e+01 1.895715387e+02 1.895715387e+02 1.28 1.018926119e+02 1.018926119e+02 1.568605928e+02 1.568605928e+02 5.584624150e+01 5.584624150e+01 1.747482863e+02 1.747482863e+02 1.30 9.337065372e+01 9.337065372e+01 1.443700802e+02 1.443700802e+02 5.110090711e+01 5.110090711e+01 1.611771721e+02 1.611771721e+02 1.32 8.561910865e+01 8.561910865e+01 1.329540417e+02 1.329540417e+02 4.679393179e+01 4.679393179e+01 1.487387075e+02 1.487387075e+02 1.34 7.856040484e+01 7.856040484e+01 1.225072503e+02 1.225072503e+02 4.287734383e+01 4.287734383e+01 1.373245218e+02 1.373245218e+02 1.36 7.212372659e+01 7.212372659e+01 1.129377501e+02 1.129377501e+02 3.931133391e+01 3.931133391e+01 1.268374672e+02 1.268374672e+02 1.38 6.624607745e+01 6.624607745e+01 1.041613072e+02 1.041613072e+02 3.605871757e+01 3.605871757e+01 1.171929478e+02 1.171929478e+02 1.40 6.087092922e+01 6.087092922e+01 9.610020410e+01 9.610020410e+01 3.308664099e+01 3.308664099e+01 1.083150218e+02 1.083150218e+02 1.42 5.594901246e+01 5.594901246e+01 8.868760270e+01 8.868760270e+01 3.036535511e+01 3.036535511e+01 1.001322928e+02 1.001322928e+02 1.44 5.143613083e+01 5.143613083e+01 8.186585507e+01 8.186585507e+01 2.787004659e+01 2.787004659e+01 9.258201457e+01 9.258201457e+01 1.46 4.729310817e+01 4.729310817e+01 7.558079358e+01 7.558079358e+01 2.557794912e+01 2.557794912e+01 8.561078460e+01 8.561078460e+01 1.48 4.348385727e+01 4.348385727e+01 6.978334735e+01 6.978334735e+01 2.346687111e+01 2.346687111e+01 7.916710822e+01 7.916710822e+01 1.50 3.997725501e+01 3.997725501e+01 6.443039223e+01 6.443039223e+01 2.152615176e+01 2.152615176e+01 7.320635816e+01 7.320635816e+01 1.52 3.674599086e+01 3.674599086e+01 5.948361986e+01 5.948361986e+01 1.973917226e+01 1.973917226e+01 6.768829232e+01 6.768829232e+01 1.54 3.376326267e+01 3.376326267e+01 5.490794565e+01 5.490794565e+01 1.809225585e+01 1.809225585e+01 6.257579213e+01 6.257579213e+01 1.56 3.100914796e+01 3.100914796e+01 5.067051401e+01 5.067051401e+01 1.657254856e+01 1.657254856e+01 5.783525806e+01 5.783525806e+01 1.58 2.846357257e+01 2.846357257e+01 4.674287253e+01 4.674287253e+01 1.511453981e+01 1.511453981e+01 5.343668311e+01 5.343668311e+01 1.60 2.610837924e+01 2.610837924e+01 4.310140695e+01 4.310140695e+01 1.375936449e+01 1.375936449e+01 4.935270293e+01 4.935270293e+01 1.62 2.392639636e+01 2.392639636e+01 3.972306808e+01 3.972306808e+01 1.247026630e+01 1.247026630e+01 4.555900212e+01 4.555900212e+01 1.64 2.190439106e+01 2.190439106e+01 3.658659004e+01 3.658659004e+01 1.124671270e+01 1.124671270e+01 4.203325839e+01 4.203325839e+01 1.66 2.002794282e+01 2.002794282e+01 3.367302748e+01 3.367302748e+01 1.008818299e+01 1.008818299e+01 3.875441198e+01 3.875441198e+01 1.68 1.829140447e+01 1.829140447e+01 3.096517013e+01 3.096517013e+01 8.993877259e+00 8.993877259e+00 3.570423411e+01 3.570423411e+01 1.70 1.667506529e+01 1.667506529e+01 2.844704875e+01 2.844704875e+01 7.962486380e+00 7.962486380e+00 3.286607115e+01 3.286607115e+01 1.72 1.513512735e+01 1.513512735e+01 2.610296789e+01 2.610296789e+01 6.991621387e+00 6.991621387e+00 3.022380016e+01 3.022380016e+01 1.74 1.369887954e+01 1.369887954e+01 2.392199540e+01 2.392199540e+01 6.081440026e+00 6.081440026e+00 2.776331906e+01 2.776331906e+01 1.76 1.233645380e+01 1.233645380e+01 2.189217883e+01 2.189217883e+01 5.230167413e+00 5.230167413e+00 2.547205130e+01 2.547205130e+01 1.78 1.104589679e+01 1.104589679e+01 2.000135834e+01 2.000135834e+01 4.436629478e+00 4.436629478e+00 2.333758032e+01 2.333758032e+01 1.80 9.826772141e+00 9.826772141e+00 1.823928774e+01 1.823928774e+01 3.698213205e+00 3.698213205e+00 2.134802898e+01 2.134802898e+01 1.82 8.678127737e+00 8.678127737e+00 1.655967091e+01 1.655967091e+01 3.012425970e+00 3.012425970e+00 1.949213440e+01 1.949213440e+01 1.84 7.598223981e+00 7.598223981e+00 1.500251286e+01 1.500251286e+01 2.377109664e+00 2.377109664e+00 1.772691849e+01 1.772691849e+01 1.86 6.585132071e+00 6.585132071e+00 1.352777588e+01 1.352777588e+01 1.790048151e+00 1.790048151e+00 1.609345637e+01 1.609345637e+01 1.88 5.636732895e+00 5.636732895e+00 1.213214636e+01 1.213214636e+01 1.248839090e+00 1.248839090e+00 1.454815584e+01 1.454815584e+01 1.90 4.750761257e+00 4.750761257e+00 1.081550987e+01 1.081550987e+01 7.510102678e-01 7.510102678e-01 1.308870996e+01 1.308870996e+01 1.92 3.924974320e+00 3.924974320e+00 9.575741177e+00 9.575741177e+00 2.944553873e-01 2.944553873e-01 1.171264265e+01 1.171264265e+01 1.94 3.158145177e+00 3.158145177e+00 8.410383282e+00 8.410383282e+00 -1.230129494e-01 -1.230129494e-01 1.041720539e+01 1.041720539e+01 1.96 2.446832725e+00 2.446832725e+00 7.316919990e+00 7.316919990e+00 -5.031376852e-01 -5.031376852e-01 9.198730224e+00 9.198730224e+00 1.98 1.786983558e+00 1.786983558e+00 6.292773672e+00 6.292773672e+00 -8.481627077e-01 -8.481627077e-01 8.055620379e+00 8.055620379e+00 2.00 1.177610877e+00 1.177610877e+00 5.335300092e+00 5.335300092e+00 -1.160291629e+00 -1.160291629e+00 6.984946692e+00 6.984946692e+00 2.02 6.163038944e-01 6.163038944e-01 4.441814149e+00 4.441814149e+00 -1.441325799e+00 -1.441325799e+00 5.983812126e+00 5.983812126e+00 2.04 1.006607292e-01 1.006607292e-01 3.609612880e+00 3.609612880e+00 -1.693648631e+00 -1.693648631e+00 5.048823971e+00 5.048823971e+00 2.06 -3.716829606e-01 -3.716829606e-01 2.836161280e+00 2.836161280e+00 -1.919155473e+00 -1.919155473e+00 4.177408824e+00 4.177408824e+00 2.08 -8.030442271e-01 -8.030442271e-01 2.119522108e+00 2.119522108e+00 -2.119693079e+00 -2.119693079e+00 3.366586048e+00 3.366586048e+00 2.10 -1.195685052e+00 -1.195685052e+00 1.455598539e+00 1.455598539e+00 -2.297260032e+00 -2.297260032e+00 2.614094034e+00 2.614094034e+00 2.12 -1.551806333e+00 -1.551806333e+00 8.415928120e-01 8.415928120e-01 -2.453504180e+00 -2.453504180e+00 1.917465879e+00 1.917465879e+00 2.14 -1.873323981e+00 -1.873323981e+00 2.754172646e-01 2.754172646e-01 -2.589821018e+00 -2.589821018e+00 1.273035029e+00 1.273035029e+00 2.16 -2.162609202e+00 -2.162609202e+00 -2.451355980e-01 -2.451355980e-01 -2.707598111e+00 -2.707598111e+00 6.780873751e-01 6.780873751e-01 2.18 -2.422385637e+00 -2.422385637e+00 -7.224758108e-01 -7.224758108e-01 -2.808274472e+00 -2.808274472e+00 1.301161416e-01 1.301161416e-01 2.20 -2.653963894e+00 -2.653963894e+00 -1.158941367e+00 -1.158941367e+00 -2.893209633e+00 -2.893209633e+00 -3.733760118e-01 -3.733760118e-01 2.22 -2.858472719e+00 -2.858472719e+00 -1.556795057e+00 -1.556795057e+00 -2.963685040e+00 -2.963685040e+00 -8.348270788e-01 -8.348270788e-01 2.24 -3.038269354e+00 -3.038269354e+00 -1.918222464e+00 -1.918222464e+00 -3.020825095e+00 -3.020825095e+00 -1.256649044e+00 -1.256649044e+00 2.26 -3.195033876e+00 -3.195033876e+00 -2.245330887e+00 -2.245330887e+00 -3.065347896e+00 -3.065347896e+00 -1.641012542e+00 -1.641012542e+00 2.28 -3.330379646e+00 -3.330379646e+00 -2.540149010e+00 -2.540149010e+00 -3.098425578e+00 -3.098425578e+00 -1.990078816e+00 -1.990078816e+00 2.30 -3.445848106e+00 -3.445848106e+00 -2.804398056e+00 -2.804398056e+00 -3.120866644e+00 -3.120866644e+00 -2.306040923e+00 -2.306040923e+00 2.32 -3.542909155e+00 -3.542909155e+00 -3.040054266e+00 -3.040054266e+00 -3.134494062e+00 -3.134494062e+00 -2.591111743e+00 -2.591111743e+00 2.34 -3.622961801e+00 -3.622961801e+00 -3.249098241e+00 -3.249098241e+00 -3.139905173e+00 -3.139905173e+00 -2.846844365e+00 -2.846844365e+00 2.36 -3.687335032e+00 -3.687335032e+00 -3.432956795e+00 -3.432956795e+00 -3.137890800e+00 -3.137890800e+00 -3.074681197e+00 -3.074681197e+00 2.38 -3.737665325e+00 -3.737665325e+00 -3.593194698e+00 -3.593194698e+00 -3.129184788e+00 -3.129184788e+00 -3.276808092e+00 -3.276808092e+00 2.40 -3.775118161e+00 -3.775118161e+00 -3.731729583e+00 -3.731729583e+00 -3.114466903e+00 -3.114466903e+00 -3.454376473e+00 -3.454376473e+00 2.42 -3.800678137e+00 -3.800678137e+00 -3.850384000e+00 -3.850384000e+00 -3.094365696e+00 -3.094365696e+00 -3.609711208e+00 -3.609711208e+00 2.44 -3.815134714e+00 -3.815134714e+00 -3.950239270e+00 -3.950239270e+00 -3.069461378e+00 -3.069461378e+00 -3.744090653e+00 -3.744090653e+00 2.46 -3.819033749e+00 -3.819033749e+00 -4.032656571e+00 -4.032656571e+00 -3.040288627e+00 -3.040288627e+00 -3.859121885e+00 -3.859121885e+00 2.48 -3.813633442e+00 -3.813633442e+00 -4.098938556e+00 -4.098938556e+00 -3.007339405e+00 -3.007339405e+00 -3.956098619e+00 -3.956098619e+00 2.50 -3.799529073e+00 -3.799529073e+00 -4.150319108e+00 -4.150319108e+00 -2.971062098e+00 -2.971062098e+00 -4.036267469e+00 -4.036267469e+00 2.52 -3.777450118e+00 -3.777450118e+00 -4.188710955e+00 -4.188710955e+00 -2.932589946e+00 -2.932589946e+00 -4.100886937e+00 -4.100886937e+00 2.54 -3.748772456e+00 -3.748772456e+00 -4.214868519e+00 -4.214868519e+00 -2.891894040e+00 -2.891894040e+00 -4.151150156e+00 -4.151150156e+00 2.56 -3.714203183e+00 -3.714203183e+00 -4.229476453e+00 -4.229476453e+00 -2.848949966e+00 -2.848949966e+00 -4.188231036e+00 -4.188231036e+00 2.58 -3.674402091e+00 -3.674402091e+00 -4.233517732e+00 -4.233517732e+00 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