# 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 = Al2PbPt # 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 2.303121994e+02 2.303121994e+02 1.30 2.153009916e+02 2.153009916e+02 1.32 2.012715400e+02 2.012715400e+02 1.34 1.881536489e+02 1.881536489e+02 1.36 1.758838475e+02 1.758838475e+02 1.38 1.643987169e+02 1.643987169e+02 1.40 1.536342231e+02 1.536342231e+02 1.42 1.435303611e+02 1.435303611e+02 1.44 1.340362385e+02 1.340362385e+02 1.46 1.251124131e+02 1.251124131e+02 1.48 1.167291729e+02 1.167291729e+02 1.50 1.088610456e+02 1.088610456e+02 1.52 1.014806753e+02 1.014806753e+02 1.54 9.455609029e+01 9.455609029e+01 1.56 8.805196722e+01 8.805196722e+01 1.58 8.193268362e+01 8.193268362e+01 1.60 7.616498934e+01 7.616498934e+01 1.62 7.071975212e+01 7.071975212e+01 1.64 6.557296449e+01 6.557296449e+01 1.66 6.070609409e+01 6.070609409e+01 1.68 5.612144485e+01 5.612144485e+01 1.70 5.185952385e+01 5.185952385e+01 1.72 4.790658404e+01 4.790658404e+01 1.74 4.424496265e+01 4.424496265e+01 1.76 4.085318964e+01 4.085318964e+01 1.78 3.770889815e+01 3.770889815e+01 1.80 3.479019752e+01 3.479019752e+01 1.82 3.207674794e+01 3.207674794e+01 1.84 2.955049015e+01 2.955049015e+01 1.86 2.719587606e+01 2.719587606e+01 1.88 2.499968334e+01 2.499968334e+01 1.90 2.295058161e+01 2.295058161e+01 1.92 2.103864383e+01 2.103864383e+01 1.94 1.925499259e+01 1.925499259e+01 1.96 1.759160779e+01 1.759160779e+01 1.98 1.604121988e+01 1.604121988e+01 2.00 1.459715810e+01 1.459715810e+01 2.02 1.325312872e+01 1.325312872e+01 2.04 1.200300862e+01 1.200300862e+01 2.06 1.084074986e+01 1.084074986e+01 2.08 9.760406324e+00 9.760406324e+00 2.10 8.756215260e+00 8.756215260e+00 2.12 7.822678795e+00 7.822678795e+00 2.14 6.954614342e+00 6.954614342e+00 2.16 6.147185735e+00 6.147185735e+00 2.18 5.395926956e+00 5.395926956e+00 2.20 4.696758426e+00 4.696758426e+00 2.22 4.045994314e+00 4.045994314e+00 2.24 3.440332348e+00 3.440332348e+00 2.26 2.876827280e+00 2.876827280e+00 2.28 2.352851873e+00 2.352851873e+00 2.30 1.866053489e+00 1.866053489e+00 2.32 1.414307823e+00 1.414307823e+00 2.34 9.956800961e-01 9.956800961e-01 2.36 6.083865673e-01 6.083865673e-01 2.38 2.507630779e-01 2.507630779e-01 2.40 -7.876297793e-02 -7.876297793e-02 2.42 -3.816978121e-01 -3.816978121e-01 2.44 -6.595052550e-01 -6.595052550e-01 2.46 -9.137610779e-01 -9.137610779e-01 2.48 -1.146928550e+00 -1.146928550e+00 2.50 -1.360427449e+00 -1.360427449e+00 2.52 -1.555449763e+00 -1.555449763e+00 2.54 -1.733222971e+00 -1.733222971e+00 2.56 -1.894989238e+00 -1.894989238e+00 2.58 -2.041983364e+00 -2.041983364e+00 2.60 -2.175411187e+00 -2.175411187e+00 2.62 -2.296427246e+00 -2.296427246e+00 2.64 -2.406112091e+00 -2.406112091e+00 2.66 -2.505444550e+00 -2.505444550e+00 2.68 -2.595281170e+00 -2.595281170e+00 2.70 -2.676343167e+00 -2.676343167e+00 2.72 -2.749217435e+00 -2.749217435e+00 2.74 -2.814370417e+00 -2.814370417e+00 2.76 -2.872170316e+00 -2.872170316e+00 2.78 -2.922911901e+00 -2.922911901e+00 2.80 -2.966840465e+00 -2.966840465e+00 2.82 -3.004171724e+00 -3.004171724e+00 2.84 -3.035801611e+00 -3.035801611e+00 2.86 -3.062332460e+00 -3.062332460e+00 2.88 -3.083648251e+00 -3.083648251e+00 2.90 -3.099715658e+00 -3.099715658e+00 2.92 -3.110587616e+00 -3.110587616e+00 2.94 -3.116405620e+00 -3.116405620e+00 2.96 -3.117397841e+00 -3.117397841e+00 2.98 -3.113870882e+00 -3.113870882e+00 3.00 -3.106194502e+00 -3.106194502e+00 3.02 -3.094782065e+00 -3.094782065e+00 3.04 -3.080080324e+00 -3.080080324e+00 3.06 -3.062543361e+00 -3.062543361e+00 3.08 -3.042592883e+00 -3.042592883e+00 3.10 -3.020606658e+00 -3.020606658e+00 3.12 -2.996907300e+00 -2.996907300e+00 3.14 -2.971760136e+00 -2.971760136e+00 3.16 -2.945371570e+00 -2.945371570e+00 3.18 -2.917896682e+00 -2.917896682e+00 3.20 -2.889446908e+00 -2.889446908e+00 3.22 -2.860099349e+00 -2.860099349e+00 3.24 -2.829905766e+00 -2.829905766e+00 3.26 -2.798900473e+00 -2.798900473e+00 3.28 -2.767106843e+00 -2.767106843e+00 3.30 -2.734542522e+00 -2.734542522e+00 3.32 -2.701223549e+00 -2.701223549e+00 3.34 -2.667167595e+00 -2.667167595e+00 3.36 -2.632401586e+00 -2.632401586e+00 3.38 -2.596981174e+00 -2.596981174e+00 3.40 -2.560958339e+00 -2.560958339e+00 3.42 -2.524389618e+00 -2.524389618e+00 3.44 -2.487335458e+00 -2.487335458e+00 3.46 -2.449860358e+00 -2.449860358e+00 3.48 -2.412031889e+00 -2.412031889e+00 3.50 -2.373919486e+00 -2.373919486e+00 3.52 -2.335593042e+00 -2.335593042e+00 3.54 -2.297121440e+00 -2.297121440e+00 3.56 -2.258571150e+00 -2.258571150e+00 3.58 -2.220004387e+00 -2.220004387e+00 3.60 -2.181475158e+00 -2.181475158e+00 3.62 -2.143030499e+00 -2.143030499e+00 3.64 -2.104712367e+00 -2.104712367e+00 3.66 -2.066557163e+00 -2.066557163e+00 3.68 -2.028595502e+00 -2.028595502e+00 3.70 -1.990852113e+00 -1.990852113e+00 3.72 -1.953345792e+00 -1.953345792e+00 3.74 -1.916089394e+00 -1.916089394e+00 3.76 -1.879089846e+00 -1.879089846e+00 3.78 -1.842348212e+00 -1.842348212e+00 3.80 -1.805859857e+00 -1.805859857e+00 3.82 -1.769614757e+00 -1.769614757e+00 3.84 -1.733597997e+00 -1.733597997e+00 3.86 -1.697790456e+00 -1.697790456e+00 3.88 -1.662169654e+00 -1.662169654e+00 3.90 -1.626710710e+00 -1.626710710e+00 3.92 -1.591387034e+00 -1.591387034e+00 3.94 -1.556172586e+00 -1.556172586e+00 3.96 -1.521040811e+00 -1.521040811e+00 3.98 -1.485966968e+00 -1.485966968e+00 4.00 -1.450928645e+00 -1.450928645e+00 4.02 -1.415906710e+00 -1.415906710e+00 4.04 -1.380886365e+00 -1.380886365e+00 4.06 -1.345858351e+00 -1.345858351e+00 4.08 -1.310820326e+00 -1.310820326e+00 4.10 -1.275777369e+00 -1.275777369e+00 4.12 -1.240747630e+00 -1.240747630e+00 4.14 -1.205757212e+00 -1.205757212e+00 4.16 -1.170845749e+00 -1.170845749e+00 4.18 -1.136065666e+00 -1.136065666e+00 4.20 -1.101481874e+00 -1.101481874e+00 4.22 -1.067170588e+00 -1.067170588e+00 4.24 -1.033217225e+00 -1.033217225e+00 4.26 -9.997134583e-01 -9.997134583e-01 4.28 -9.667535908e-01 -9.667535908e-01 4.30 -9.344305054e-01 -9.344305054e-01 4.32 -9.028314657e-01 -9.028314657e-01 4.34 -8.720340867e-01 -8.720340867e-01 4.36 -8.421027700e-01 -8.421027700e-01 4.38 -8.130858718e-01 -8.130858718e-01 4.40 -7.850138067e-01 -7.850138067e-01 4.42 -7.578982048e-01 -7.578982048e-01 4.44 -7.317321333e-01 -7.317321333e-01 4.46 -7.064912897e-01 -7.064912897e-01 4.48 -6.821359862e-01 -6.821359862e-01 4.50 -6.586136885e-01 -6.586136885e-01 4.52 -6.358618630e-01 -6.358618630e-01 4.54 -6.138109050e-01 -6.138109050e-01 4.56 -5.923869744e-01 -5.923869744e-01 4.58 -5.715146234e-01 -5.715146234e-01 4.60 -5.511191626e-01 -5.511191626e-01 4.62 -5.311287591e-01 -5.311287591e-01 4.64 -5.114762906e-01 -5.114762906e-01 4.66 -4.921009937e-01 -4.921009937e-01 4.68 -4.729499416e-01 -4.729499416e-01 4.70 -4.539793678e-01 -4.539793678e-01 4.72 -4.351558329e-01 -4.351558329e-01 4.74 -4.164572009e-01 -4.164572009e-01 4.76 -3.978733692e-01 -3.978733692e-01 4.78 -3.794066828e-01 -3.794066828e-01 4.80 -3.610712423e-01 -3.610712423e-01 4.82 -3.428954396e-01 -3.428954396e-01 4.84 -3.249164006e-01 -3.249164006e-01 4.86 -3.071817976e-01 -3.071817976e-01 4.88 -2.897471422e-01 -2.897471422e-01 4.90 -2.726735564e-01 -2.726735564e-01 4.92 -2.560252937e-01 -2.560252937e-01 4.94 -2.398671414e-01 -2.398671414e-01 4.96 -2.242618424e-01 -2.242618424e-01 4.98 -2.092676707e-01 -2.092676707e-01 5.00 -1.949362749e-01 -1.949362749e-01 5.02 -1.813108890e-01 -1.813108890e-01 5.04 -1.684249851e-01 -1.684249851e-01 5.06 -1.563014149e-01 -1.563014149e-01 5.08 -1.449520614e-01 -1.449520614e-01 5.10 -1.343779884e-01 -1.343779884e-01 5.12 -1.245700440e-01 -1.245700440e-01 5.14 -1.155098479e-01 -1.155098479e-01 5.16 -1.071710670e-01 -1.071710670e-01 5.18 -9.952087490e-02 -9.952087490e-02 5.20 -9.252148921e-02 -9.252148921e-02 5.22 -8.613168847e-02 -8.613168847e-02 5.24 -8.030822395e-02 -8.030822395e-02 5.26 -7.500708530e-02 -7.500708530e-02 5.28 -7.018456966e-02 -7.018456966e-02 5.30 -6.579813508e-02 -6.579813508e-02 5.32 -6.180704983e-02 -6.180704983e-02 5.34 -5.817285254e-02 -5.817285254e-02 5.36 -5.485964834e-02 -5.485964834e-02 5.38 -5.183371792e-02 -5.183371792e-02 5.40 -4.906476171e-02 -4.906476171e-02 5.42 -4.652553696e-02 -4.652553696e-02 5.44 -4.419127107e-02 -4.419127107e-02 5.46 -4.204006279e-02 -4.204006279e-02 5.48 -4.005140227e-02 -4.005140227e-02 5.50 -3.820681766e-02 -3.820681766e-02 5.52 -3.648993271e-02 -3.648993271e-02 5.54 -3.488623134e-02 -3.488623134e-02 5.56 -3.338284522e-02 -3.338284522e-02 5.58 -3.196836361e-02 -3.196836361e-02 5.60 -3.063266397e-02 -3.063266397e-02 5.62 -2.936676248e-02 -2.936676248e-02 5.64 -2.816268124e-02 -2.816268124e-02 5.66 -2.701333276e-02 -2.701333276e-02 5.68 -2.591242050e-02 -2.591242050e-02 5.70 -2.485435287e-02 -2.485435287e-02 5.72 -2.383417023e-02 -2.383417023e-02 5.74 -2.284748383e-02 -2.284748383e-02 5.76 -2.189042564e-02 -2.189042564e-02 5.78 -2.095960816e-02 -2.095960816e-02 5.80 -2.005209296e-02 -2.005209296e-02 5.82 -1.916536706e-02 -1.916536706e-02 5.84 -1.829732567e-02 -1.829732567e-02 5.86 -1.744625996e-02 -1.744625996e-02 5.88 -1.661084842e-02 -1.661084842e-02 5.90 -1.579014992e-02 -1.579014992e-02 5.92 -1.498359670e-02 -1.498359670e-02 5.94 -1.419097284e-02 -1.419097284e-02 5.96 -1.341232785e-02 -1.341232785e-02 5.98 -1.264814462e-02 -1.264814462e-02 6.00 -1.189923801e-02 -1.189923801e-02