# 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 = PbPt2Ta # 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 4.898161558e+02 4.898161558e+02 1.30 4.585940574e+02 4.585940574e+02 1.32 4.294446230e+02 4.294446230e+02 1.34 4.022166861e+02 4.022166861e+02 1.36 3.767600909e+02 3.767600909e+02 1.38 3.529310232e+02 3.529310232e+02 1.40 3.305990255e+02 3.305990255e+02 1.42 3.096513781e+02 3.096513781e+02 1.44 2.899913002e+02 2.899913002e+02 1.46 2.715332161e+02 2.715332161e+02 1.48 2.542006792e+02 2.542006792e+02 1.50 2.379264051e+02 2.379264051e+02 1.52 2.226502237e+02 2.226502237e+02 1.54 2.083143964e+02 2.083143964e+02 1.56 1.948596853e+02 1.948596853e+02 1.58 1.822244885e+02 1.822244885e+02 1.60 1.703466389e+02 1.703466389e+02 1.62 1.591660529e+02 1.591660529e+02 1.64 1.486268981e+02 1.486268981e+02 1.66 1.386788687e+02 1.386788687e+02 1.68 1.292779215e+02 1.292779215e+02 1.70 1.203866134e+02 1.203866134e+02 1.72 1.119735935e+02 1.119735935e+02 1.74 1.040117112e+02 1.040117112e+02 1.76 9.647526449e+01 9.647526449e+01 1.78 8.933787075e+01 8.933787075e+01 1.80 8.257214800e+01 8.257214800e+01 1.82 7.615243484e+01 7.615243484e+01 1.84 7.005681461e+01 7.005681461e+01 1.86 6.426451557e+01 6.426451557e+01 1.88 5.878668986e+01 5.878668986e+01 1.90 5.369897685e+01 5.369897685e+01 1.92 4.898873466e+01 4.898873466e+01 1.94 4.463453386e+01 4.463453386e+01 1.96 4.061519452e+01 4.061519452e+01 1.98 3.690964833e+01 3.690964833e+01 2.00 3.349710503e+01 3.349710503e+01 2.02 3.035717421e+01 3.035717421e+01 2.04 2.746989182e+01 2.746989182e+01 2.06 2.481576643e+01 2.481576643e+01 2.08 2.237592925e+01 2.237592925e+01 2.10 2.013237548e+01 2.013237548e+01 2.12 1.806820057e+01 1.806820057e+01 2.14 1.616778031e+01 1.616778031e+01 2.16 1.441686138e+01 1.441686138e+01 2.18 1.280258417e+01 1.280258417e+01 2.20 1.131344893e+01 1.131344893e+01 2.22 9.939238269e+00 9.939238269e+00 2.24 8.670897367e+00 8.670897367e+00 2.26 7.500386623e+00 7.500386623e+00 2.28 6.420521363e+00 6.420521363e+00 2.30 5.424820817e+00 5.424820817e+00 2.32 4.507375327e+00 4.507375327e+00 2.34 3.662737729e+00 3.662737729e+00 2.36 2.885849948e+00 2.885849948e+00 2.38 2.171991328e+00 2.171991328e+00 2.40 1.516744342e+00 1.516744342e+00 2.42 9.159686137e-01 9.159686137e-01 2.44 3.657763247e-01 3.657763247e-01 2.46 -1.374893453e-01 -1.374893453e-01 2.48 -5.972732215e-01 -5.972732215e-01 2.50 -1.016823218e+00 -1.016823218e+00 2.52 -1.399201785e+00 -1.399201785e+00 2.54 -1.747246485e+00 -1.747246485e+00 2.56 -2.063603014e+00 -2.063603014e+00 2.58 -2.350891026e+00 -2.350891026e+00 2.60 -2.611499325e+00 -2.611499325e+00 2.62 -2.847566899e+00 -2.847566899e+00 2.64 -3.060987795e+00 -3.060987795e+00 2.66 -3.253427844e+00 -3.253427844e+00 2.68 -3.426466364e+00 -3.426466364e+00 2.70 -3.583195241e+00 -3.583195241e+00 2.72 -3.724881428e+00 -3.724881428e+00 2.74 -3.851945070e+00 -3.851945070e+00 2.76 -3.964830401e+00 -3.964830401e+00 2.78 -4.063999019e+00 -4.063999019e+00 2.80 -4.149923187e+00 -4.149923187e+00 2.82 -4.223082762e+00 -4.223082762e+00 2.84 -4.283966787e+00 -4.283966787e+00 2.86 -4.333080003e+00 -4.333080003e+00 2.88 -4.370953933e+00 -4.370953933e+00 2.90 -4.398160927e+00 -4.398160927e+00 2.92 -4.415328051e+00 -4.415328051e+00 2.94 -4.423146330e+00 -4.423146330e+00 2.96 -4.422370509e+00 -4.422370509e+00 2.98 -4.413805759e+00 -4.413805759e+00 3.00 -4.398280985e+00 -4.398280985e+00 3.02 -4.376612611e+00 -4.376612611e+00 3.04 -4.349565478e+00 -4.349565478e+00 3.06 -4.317823304e+00 -4.317823304e+00 3.08 -4.281963981e+00 -4.281963981e+00 3.10 -4.242457043e+00 -4.242457043e+00 3.12 -4.199669001e+00 -4.199669001e+00 3.14 -4.153881442e+00 -4.153881442e+00 3.16 -4.105305349e+00 -4.105305349e+00 3.18 -4.054102888e+00 -4.054102888e+00 3.20 -4.000402585e+00 -4.000402585e+00 3.22 -3.944312068e+00 -3.944312068e+00 3.24 -3.885927832e+00 -3.885927832e+00 3.26 -3.825342756e+00 -3.825342756e+00 3.28 -3.762652095e+00 -3.762652095e+00 3.30 -3.697958255e+00 -3.697958255e+00 3.32 -3.631374295e+00 -3.631374295e+00 3.34 -3.563025817e+00 -3.563025817e+00 3.36 -3.493050950e+00 -3.493050950e+00 3.38 -3.421598362e+00 -3.421598362e+00 3.40 -3.348823858e+00 -3.348823858e+00 3.42 -3.274924744e+00 -3.274924744e+00 3.44 -3.200036532e+00 -3.200036532e+00 3.46 -3.124257782e+00 -3.124257782e+00 3.48 -3.047691639e+00 -3.047691639e+00 3.50 -2.970439020e+00 -2.970439020e+00 3.52 -2.892593747e+00 -2.892593747e+00 3.54 -2.814239806e+00 -2.814239806e+00 3.56 -2.735450029e+00 -2.735450029e+00 3.58 -2.656317982e+00 -2.656317982e+00 3.60 -2.577051207e+00 -2.577051207e+00 3.62 -2.497870423e+00 -2.497870423e+00 3.64 -2.418985555e+00 -2.418985555e+00 3.66 -2.340600841e+00 -2.340600841e+00 3.68 -2.262919081e+00 -2.262919081e+00 3.70 -2.186144565e+00 -2.186144565e+00 3.72 -2.110484296e+00 -2.110484296e+00 3.74 -2.036147249e+00 -2.036147249e+00 3.76 -1.963341636e+00 -1.963341636e+00 3.78 -1.892270328e+00 -1.892270328e+00 3.80 -1.823124885e+00 -1.823124885e+00 3.82 -1.756078836e+00 -1.756078836e+00 3.84 -1.691280969e+00 -1.691280969e+00 3.86 -1.628849445e+00 -1.628849445e+00 3.88 -1.568867438e+00 -1.568867438e+00 3.90 -1.511380784e+00 -1.511380784e+00 3.92 -1.456397475e+00 -1.456397475e+00 3.94 -1.403891598e+00 -1.403891598e+00 3.96 -1.353804552e+00 -1.353804552e+00 3.98 -1.306052560e+00 -1.306052560e+00 4.00 -1.260532544e+00 -1.260532544e+00 4.02 -1.217128827e+00 -1.217128827e+00 4.04 -1.175719607e+00 -1.175719607e+00 4.06 -1.136182758e+00 -1.136182758e+00 4.08 -1.098400608e+00 -1.098400608e+00 4.10 -1.062262851e+00 -1.062262851e+00 4.12 -1.027671317e+00 -1.027671317e+00 4.14 -9.945366038e-01 -9.945366038e-01 4.16 -9.627804986e-01 -9.627804986e-01 4.18 -9.323336114e-01 -9.323336114e-01 4.20 -9.031330345e-01 -9.031330345e-01 4.22 -8.751196325e-01 -8.751196325e-01 4.24 -8.482353657e-01 -8.482353657e-01 4.26 -8.224210097e-01 -8.224210097e-01 4.28 -7.976145298e-01 -7.976145298e-01 4.30 -7.737502330e-01 -7.737502330e-01 4.32 -7.507586757e-01 -7.507586757e-01 4.34 -7.285671892e-01 -7.285671892e-01 4.36 -7.071008188e-01 -7.071008188e-01 4.38 -6.862834568e-01 -6.862834568e-01 4.40 -6.660389769e-01 -6.660389769e-01 4.42 -6.462922355e-01 -6.462922355e-01 4.44 -6.269698686e-01 -6.269698686e-01 4.46 -6.080008708e-01 -6.080008708e-01 4.48 -5.893169884e-01 -5.893169884e-01 4.50 -5.708529911e-01 -5.708529911e-01 4.52 -5.525468978e-01 -5.525468978e-01 4.54 -5.343402413e-01 -5.343402413e-01 4.56 -5.161784478e-01 -5.161784478e-01 4.58 -4.980113994e-01 -4.980113994e-01 4.60 -4.797942296e-01 -4.797942296e-01 4.62 -4.614883807e-01 -4.614883807e-01 4.64 -4.430629249e-01 -4.430629249e-01 4.66 -4.244961154e-01 -4.244961154e-01 4.68 -4.057770951e-01 -4.057770951e-01 4.70 -3.869076460e-01 -3.869076460e-01 4.72 -3.679038158e-01 -3.679038158e-01 4.74 -3.487972220e-01 -3.487972220e-01 4.76 -3.296358081e-01 -3.296358081e-01 4.78 -3.104838305e-01 -3.104838305e-01 4.80 -2.914201742e-01 -2.914201742e-01 4.82 -2.725392686e-01 -2.725392686e-01 4.84 -2.539433479e-01 -2.539433479e-01 4.86 -2.357415945e-01 -2.357415945e-01 4.88 -2.180445390e-01 -2.180445390e-01 4.90 -2.009589890e-01 -2.009589890e-01 4.92 -1.845830829e-01 -1.845830829e-01 4.94 -1.690019111e-01 -1.690019111e-01 4.96 -1.542840780e-01 -1.542840780e-01 4.98 -1.404794609e-01 -1.404794609e-01 5.00 -1.276182728e-01 -1.276182728e-01 5.02 -1.157113811e-01 -1.157113811e-01 5.04 -1.047517110e-01 -1.047517110e-01 5.06 -9.471647178e-02 -9.471647178e-02 5.08 -8.556991059e-02 -8.556991059e-02 5.10 -7.726630197e-02 -7.726630197e-02 5.12 -6.975291962e-02 -6.975291962e-02 5.14 -6.297278785e-02 -6.297278785e-02 5.16 -5.686710284e-02 -5.686710284e-02 5.18 -5.137723358e-02 -5.137723358e-02 5.20 -4.644627383e-02 -4.644627383e-02 5.22 -4.202016868e-02 -4.202016868e-02 5.24 -3.804846931e-02 -3.804846931e-02 5.26 -3.448457731e-02 -3.448457731e-02 5.28 -3.128569397e-02 -3.128569397e-02 5.30 -2.841422768e-02 -2.841422768e-02 5.32 -2.583635575e-02 -2.583635575e-02 5.34 -2.352170064e-02 -2.352170064e-02 5.36 -2.144307474e-02 -2.144307474e-02 5.38 -1.957612400e-02 -1.957612400e-02 5.40 -1.789895727e-02 -1.789895727e-02 5.42 -1.639218814e-02 -1.639218814e-02 5.44 -1.503837828e-02 -1.503837828e-02 5.46 -1.382177919e-02 -1.382177919e-02 5.48 -1.272814032e-02 -1.272814032e-02 5.50 -1.174454857e-02 -1.174454857e-02 5.52 -1.085929528e-02 -1.085929528e-02 5.54 -1.006176584e-02 -1.006176584e-02 5.56 -9.342346510e-03 -9.342346510e-03 5.58 -8.692343996e-03 -8.692343996e-03 5.60 -8.103913642e-03 -8.103913642e-03 5.62 -7.569993598e-03 -7.569993598e-03 5.64 -7.084245745e-03 -7.084245745e-03 5.66 -6.640996808e-03 -6.640996808e-03 5.68 -6.235183251e-03 -6.235183251e-03 5.70 -5.862299037e-03 -5.862299037e-03 5.72 -5.518346212e-03 -5.518346212e-03 5.74 -5.199788553e-03 -5.199788553e-03 5.76 -4.903508496e-03 -4.903508496e-03 5.78 -4.626767516e-03 -4.626767516e-03 5.80 -4.367170039e-03 -4.367170039e-03 5.82 -4.122630864e-03 -4.122630864e-03 5.84 -3.891345950e-03 -3.891345950e-03 5.86 -3.671766337e-03 -3.671766337e-03 5.88 -3.462574875e-03 -3.462574875e-03 5.90 -3.262665347e-03 -3.262665347e-03 5.92 -3.071123536e-03 -3.071123536e-03 5.94 -2.887256000e-03 -2.887256000e-03 5.96 -2.710740345e-03 -2.710740345e-03 5.98 -2.541114958e-03 -2.541114958e-03 6.00 -2.377994484e-03 -2.377994484e-03