# 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 = Ni2PbPt # 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 2.560084441e+02 2.560084441e+02 1.30 2.380242398e+02 2.380242398e+02 1.32 2.212817970e+02 2.212817970e+02 1.34 2.056968947e+02 2.056968947e+02 1.36 1.911921403e+02 1.911921403e+02 1.38 1.776900327e+02 1.776900327e+02 1.40 1.651120960e+02 1.651120960e+02 1.42 1.533824185e+02 1.533824185e+02 1.44 1.424311865e+02 1.424311865e+02 1.46 1.321969307e+02 1.321969307e+02 1.48 1.226277102e+02 1.226277102e+02 1.50 1.136803627e+02 1.136803627e+02 1.52 1.053171567e+02 1.053171567e+02 1.54 9.750158778e+01 9.750158778e+01 1.56 9.019590962e+01 9.019590962e+01 1.58 8.336135686e+01 8.336135686e+01 1.60 7.695974982e+01 7.695974982e+01 1.62 7.095512765e+01 7.095512765e+01 1.64 6.531487607e+01 6.531487607e+01 1.66 6.001044704e+01 6.001044704e+01 1.68 5.501769797e+01 5.501769797e+01 1.70 5.034753396e+01 5.034753396e+01 1.72 4.602837623e+01 4.602837623e+01 1.74 4.203795454e+01 4.203795454e+01 1.76 3.835429712e+01 3.835429712e+01 1.78 3.495597994e+01 3.495597994e+01 1.80 3.182210102e+01 3.182210102e+01 1.82 2.893257955e+01 2.893257955e+01 1.84 2.626848002e+01 2.626848002e+01 1.86 2.381224527e+01 2.381224527e+01 1.88 2.154775323e+01 2.154775323e+01 1.90 1.946014596e+01 1.946014596e+01 1.92 1.753552509e+01 1.753552509e+01 1.94 1.576075478e+01 1.576075478e+01 1.96 1.412346496e+01 1.412346496e+01 1.98 1.261222372e+01 1.261222372e+01 2.00 1.121670317e+01 1.121670317e+01 2.02 9.927719021e+00 9.927719021e+00 2.04 8.737136018e+00 8.737136018e+00 2.06 7.637707429e+00 7.637707429e+00 2.08 6.622914492e+00 6.622914492e+00 2.10 5.686827018e+00 5.686827018e+00 2.12 4.823998331e+00 4.823998331e+00 2.14 4.029380219e+00 4.029380219e+00 2.16 3.298264880e+00 3.298264880e+00 2.18 2.626248556e+00 2.626248556e+00 2.20 2.009208249e+00 2.009208249e+00 2.22 1.443289988e+00 1.443289988e+00 2.24 9.249033576e-01 9.249033576e-01 2.26 4.507207265e-01 4.507207265e-01 2.28 1.767203548e-02 1.767203548e-02 2.30 -3.770723557e-01 -3.770723557e-01 2.32 -7.361434595e-01 -7.361434595e-01 2.34 -1.062018045e+00 -1.062018045e+00 2.36 -1.357064840e+00 -1.357064840e+00 2.38 -1.623562909e+00 -1.623562909e+00 2.40 -1.864042131e+00 -1.864042131e+00 2.42 -2.081810656e+00 -2.081810656e+00 2.44 -2.278457080e+00 -2.278457080e+00 2.46 -2.455360625e+00 -2.455360625e+00 2.48 -2.613882377e+00 -2.613882377e+00 2.50 -2.755369071e+00 -2.755369071e+00 2.52 -2.881150544e+00 -2.881150544e+00 2.54 -2.992523658e+00 -2.992523658e+00 2.56 -3.090722552e+00 -3.090722552e+00 2.58 -3.176881676e+00 -3.176881676e+00 2.60 -3.252003003e+00 -3.252003003e+00 2.62 -3.316948733e+00 -3.316948733e+00 2.64 -3.372452401e+00 -3.372452401e+00 2.66 -3.419141695e+00 -3.419141695e+00 2.68 -3.457574878e+00 -3.457574878e+00 2.70 -3.488271808e+00 -3.488271808e+00 2.72 -3.511735459e+00 -3.511735459e+00 2.74 -3.528381714e+00 -3.528381714e+00 2.76 -3.538474794e+00 -3.538474794e+00 2.78 -3.542292926e+00 -3.542292926e+00 2.80 -3.540132100e+00 -3.540132100e+00 2.82 -3.532288063e+00 -3.532288063e+00 2.84 -3.519048975e+00 -3.519048975e+00 2.86 -3.500697056e+00 -3.500697056e+00 2.88 -3.477518662e+00 -3.477518662e+00 2.90 -3.449818915e+00 -3.449818915e+00 2.92 -3.417936189e+00 -3.417936189e+00 2.94 -3.382251673e+00 -3.382251673e+00 2.96 -3.343190131e+00 -3.343190131e+00 2.98 -3.301209884e+00 -3.301209884e+00 3.00 -3.256782941e+00 -3.256782941e+00 3.02 -3.210369236e+00 -3.210369236e+00 3.04 -3.162390054e+00 -3.162390054e+00 3.06 -3.113212239e+00 -3.113212239e+00 3.08 -3.063132229e+00 -3.063132229e+00 3.10 -3.012380983e+00 -3.012380983e+00 3.12 -2.961130960e+00 -2.961130960e+00 3.14 -2.909511753e+00 -2.909511753e+00 3.16 -2.857627711e+00 -2.857627711e+00 3.18 -2.805653775e+00 -2.805653775e+00 3.20 -2.753732370e+00 -2.753732370e+00 3.22 -2.701951310e+00 -2.701951310e+00 3.24 -2.650383152e+00 -2.650383152e+00 3.26 -2.599089526e+00 -2.599089526e+00 3.28 -2.548123291e+00 -2.548123291e+00 3.30 -2.497529689e+00 -2.497529689e+00 3.32 -2.447347138e+00 -2.447347138e+00 3.34 -2.397607705e+00 -2.397607705e+00 3.36 -2.348333219e+00 -2.348333219e+00 3.38 -2.299535278e+00 -2.299535278e+00 3.40 -2.251222170e+00 -2.251222170e+00 3.42 -2.203399482e+00 -2.203399482e+00 3.44 -2.156068757e+00 -2.156068757e+00 3.46 -2.109227823e+00 -2.109227823e+00 3.48 -2.062870511e+00 -2.062870511e+00 3.50 -2.016986865e+00 -2.016986865e+00 3.52 -1.971563715e+00 -1.971563715e+00 3.54 -1.926585592e+00 -1.926585592e+00 3.56 -1.882035894e+00 -1.882035894e+00 3.58 -1.837898180e+00 -1.837898180e+00 3.60 -1.794157473e+00 -1.794157473e+00 3.62 -1.750801430e+00 -1.750801430e+00 3.64 -1.707821325e+00 -1.707821325e+00 3.66 -1.665212792e+00 -1.665212792e+00 3.68 -1.622976346e+00 -1.622976346e+00 3.70 -1.581117721e+00 -1.581117721e+00 3.72 -1.539648066e+00 -1.539648066e+00 3.74 -1.498584041e+00 -1.498584041e+00 3.76 -1.457947835e+00 -1.457947835e+00 3.78 -1.417767053e+00 -1.417767053e+00 3.80 -1.378074421e+00 -1.378074421e+00 3.82 -1.338907147e+00 -1.338907147e+00 3.84 -1.300305814e+00 -1.300305814e+00 3.86 -1.262312668e+00 -1.262312668e+00 3.88 -1.224969292e+00 -1.224969292e+00 3.90 -1.188313808e+00 -1.188313808e+00 3.92 -1.152377691e+00 -1.152377691e+00 3.94 -1.117183969e+00 -1.117183969e+00 3.96 -1.082743822e+00 -1.082743822e+00 3.98 -1.049056722e+00 -1.049056722e+00 4.00 -1.016110591e+00 -1.016110591e+00 4.02 -9.838834954e-01 -9.838834954e-01 4.04 -9.523463794e-01 -9.523463794e-01 4.06 -9.214664822e-01 -9.214664822e-01 4.08 -8.912110064e-01 -8.912110064e-01 4.10 -8.615496137e-01 -8.615496137e-01 4.12 -8.324615992e-01 -8.324615992e-01 4.14 -8.039313703e-01 -8.039313703e-01 4.16 -7.759541421e-01 -7.759541421e-01 4.18 -7.485345780e-01 -7.485345780e-01 4.20 -7.216855269e-01 -7.216855269e-01 4.22 -6.954258083e-01 -6.954258083e-01 4.24 -6.697773691e-01 -6.697773691e-01 4.26 -6.447622388e-01 -6.447622388e-01 4.28 -6.203997376e-01 -6.203997376e-01 4.30 -5.967043383e-01 -5.967043383e-01 4.32 -5.736844473e-01 -5.736844473e-01 4.34 -5.513421893e-01 -5.513421893e-01 4.36 -5.296740882e-01 -5.296740882e-01 4.38 -5.086723848e-01 -5.086723848e-01 4.40 -4.883266395e-01 -4.883266395e-01 4.42 -4.686252561e-01 -4.686252561e-01 4.44 -4.495566170e-01 -4.495566170e-01 4.46 -4.311096333e-01 -4.311096333e-01 4.48 -4.132736474e-01 -4.132736474e-01 4.50 -3.960377692e-01 -3.960377692e-01 4.52 -3.793898391e-01 -3.793898391e-01 4.54 -3.633152792e-01 -3.633152792e-01 4.56 -3.477961086e-01 -3.477961086e-01 4.58 -3.328103557e-01 -3.328103557e-01 4.60 -3.183320210e-01 -3.183320210e-01 4.62 -3.043316408e-01 -3.043316408e-01 4.64 -2.907773998e-01 -2.907773998e-01 4.66 -2.776366920e-01 -2.776366920e-01 4.68 -2.648779384e-01 -2.648779384e-01 4.70 -2.524724605e-01 -2.524724605e-01 4.72 -2.403962449e-01 -2.403962449e-01 4.74 -2.286314083e-01 -2.286314083e-01 4.76 -2.171665270e-01 -2.171665270e-01 4.78 -2.059989629e-01 -2.059989629e-01 4.80 -1.951332458e-01 -1.951332458e-01 4.82 -1.845831358e-01 -1.845831358e-01 4.84 -1.743654056e-01 -1.743654056e-01 4.86 -1.645018954e-01 -1.645018954e-01 4.88 -1.550166550e-01 -1.550166550e-01 4.90 -1.459338771e-01 -1.459338771e-01 4.92 -1.372758750e-01 -1.372758750e-01 4.94 -1.290612927e-01 -1.290612927e-01 4.96 -1.213036974e-01 -1.213036974e-01 4.98 -1.140106496e-01 -1.140106496e-01 5.00 -1.071832833e-01 -1.071832833e-01 5.02 -1.008163709e-01 -1.008163709e-01 5.04 -9.489879853e-02 -9.489879853e-02 5.06 -8.941434727e-02 -8.941434727e-02 5.08 -8.434266808e-02 -8.434266808e-02 5.10 -7.966033963e-02 -7.966033963e-02 5.12 -7.534191178e-02 -7.534191178e-02 5.14 -7.136086901e-02 -7.136086901e-02 5.16 -6.769046613e-02 -6.769046613e-02 5.18 -6.430441250e-02 -6.430441250e-02 5.20 -6.117739926e-02 -6.117739926e-02 5.22 -5.828547705e-02 -5.828547705e-02 5.24 -5.560630053e-02 -5.560630053e-02 5.26 -5.311928333e-02 -5.311928333e-02 5.28 -5.080587698e-02 -5.080587698e-02 5.30 -4.864896785e-02 -4.864896785e-02 5.32 -4.663301873e-02 -4.663301873e-02 5.34 -4.474408223e-02 -4.474408223e-02 5.36 -4.296967309e-02 -4.296967309e-02 5.38 -4.129863166e-02 -4.129863166e-02 5.40 -3.972098666e-02 -3.972098666e-02 5.42 -3.822782307e-02 -3.822782307e-02 5.44 -3.681115886e-02 -3.681115886e-02 5.46 -3.546383278e-02 -3.546383278e-02 5.48 -3.417940413e-02 -3.417940413e-02 5.50 -3.295206454e-02 -3.295206454e-02 5.52 -3.177656102e-02 -3.177656102e-02 5.54 -3.064812944e-02 -3.064812944e-02 5.56 -2.956243731e-02 -2.956243731e-02 5.58 -2.851553466e-02 -2.851553466e-02 5.60 -2.750381224e-02 -2.750381224e-02 5.62 -2.652396599e-02 -2.652396599e-02 5.64 -2.557296726e-02 -2.557296726e-02 5.66 -2.464803813e-02 -2.464803813e-02 5.68 -2.374663179e-02 -2.374663179e-02 5.70 -2.286641749e-02 -2.286641749e-02 5.72 -2.200526977e-02 -2.200526977e-02 5.74 -2.116126203e-02 -2.116126203e-02 5.76 -2.033266399e-02 -2.033266399e-02 5.78 -1.951794299e-02 -1.951794299e-02 5.80 -1.871576864e-02 -1.871576864e-02 5.82 -1.792502035e-02 -1.792502035e-02 5.84 -1.714479714e-02 -1.714479714e-02 5.86 -1.637442876e-02 -1.637442876e-02 5.88 -1.561348722e-02 -1.561348722e-02 5.90 -1.486179730e-02 -1.486179730e-02 5.92 -1.411944469e-02 -1.411944469e-02 5.94 -1.338677012e-02 -1.338677012e-02 5.96 -1.266430872e-02 -1.266430872e-02 5.98 -1.195293251e-02 -1.195293251e-02 6.00 -1.125377287e-02 -1.125377287e-02