# 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 = Mg2PdZr # 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 4.159305077e+02 4.159305077e+02 1.30 3.863725416e+02 3.863725416e+02 1.32 3.589738084e+02 3.589738084e+02 1.34 3.335656423e+02 3.335656423e+02 1.36 3.099943407e+02 3.099943407e+02 1.38 2.881180218e+02 2.881180218e+02 1.40 2.678048947e+02 2.678048947e+02 1.42 2.489329506e+02 2.489329506e+02 1.44 2.313902339e+02 2.313902339e+02 1.46 2.150751070e+02 2.150751070e+02 1.48 1.998959063e+02 1.998959063e+02 1.50 1.857697136e+02 1.857697136e+02 1.52 1.726206035e+02 1.726206035e+02 1.54 1.603781849e+02 1.603781849e+02 1.56 1.489766884e+02 1.489766884e+02 1.58 1.383547383e+02 1.383547383e+02 1.60 1.284554134e+02 1.284554134e+02 1.62 1.192263410e+02 1.192263410e+02 1.64 1.106196132e+02 1.106196132e+02 1.66 1.025915042e+02 1.025915042e+02 1.68 9.510198907e+01 9.510198907e+01 1.70 8.811417100e+01 8.811417100e+01 1.72 8.159383726e+01 8.159383726e+01 1.74 7.550959829e+01 7.550959829e+01 1.76 6.983182681e+01 6.983182681e+01 1.78 6.453850151e+01 6.453850151e+01 1.80 5.961396160e+01 5.961396160e+01 1.82 5.503258368e+01 5.503258368e+01 1.84 5.077043932e+01 5.077043932e+01 1.86 4.680513669e+01 4.680513669e+01 1.88 4.311562339e+01 4.311562339e+01 1.90 3.968226420e+01 3.968226420e+01 1.92 3.648692088e+01 3.648692088e+01 1.94 3.351300594e+01 3.351300594e+01 1.96 3.074535998e+01 3.074535998e+01 1.98 2.817009544e+01 2.817009544e+01 2.00 2.577442583e+01 2.577442583e+01 2.02 2.354649960e+01 2.354649960e+01 2.04 2.147525715e+01 2.147525715e+01 2.06 1.955031186e+01 1.955031186e+01 2.08 1.776186279e+01 1.776186279e+01 2.10 1.610063137e+01 1.610063137e+01 2.12 1.455786366e+01 1.455786366e+01 2.14 1.312534745e+01 1.312534745e+01 2.16 1.179545320e+01 1.179545320e+01 2.18 1.056113953e+01 1.056113953e+01 2.20 9.415926601e+00 9.415926601e+00 2.22 8.353824926e+00 8.353824926e+00 2.24 7.369272532e+00 7.369272532e+00 2.26 6.457094199e+00 6.457094199e+00 2.28 5.612480861e+00 5.612480861e+00 2.30 4.830988177e+00 4.830988177e+00 2.32 4.108497304e+00 4.108497304e+00 2.34 3.441209187e+00 3.441209187e+00 2.36 2.825579722e+00 2.825579722e+00 2.38 2.258279542e+00 2.258279542e+00 2.40 1.736153172e+00 1.736153172e+00 2.42 1.256180258e+00 1.256180258e+00 2.44 8.154398109e-01 8.154398109e-01 2.46 4.110572026e-01 4.110572026e-01 2.48 4.038083999e-02 4.038083999e-02 2.50 -2.991321235e-01 -2.991321235e-01 2.52 -6.099023997e-01 -6.099023997e-01 2.54 -8.941853795e-01 -8.941853795e-01 2.56 -1.154035631e+00 -1.154035631e+00 2.58 -1.391290648e+00 -1.391290648e+00 2.60 -1.607538989e+00 -1.607538989e+00 2.62 -1.804047316e+00 -1.804047316e+00 2.64 -1.981953883e+00 -1.981953883e+00 2.66 -2.142320039e+00 -2.142320039e+00 2.68 -2.286164942e+00 -2.286164942e+00 2.70 -2.414475373e+00 -2.414475373e+00 2.72 -2.528212096e+00 -2.528212096e+00 2.74 -2.628310580e+00 -2.628310580e+00 2.76 -2.715677885e+00 -2.715677885e+00 2.78 -2.791318029e+00 -2.791318029e+00 2.80 -2.856285313e+00 -2.856285313e+00 2.82 -2.911225819e+00 -2.911225819e+00 2.84 -2.956761682e+00 -2.956761682e+00 2.86 -2.993501123e+00 -2.993501123e+00 2.88 -3.022039521e+00 -3.022039521e+00 2.90 -3.042960705e+00 -3.042960705e+00 2.92 -3.056836739e+00 -3.056836739e+00 2.94 -3.064226635e+00 -3.064226635e+00 2.96 -3.065696209e+00 -3.065696209e+00 2.98 -3.061804135e+00 -3.061804135e+00 3.00 -3.053067163e+00 -3.053067163e+00 3.02 -3.039956555e+00 -3.039956555e+00 3.04 -3.022895682e+00 -3.022895682e+00 3.06 -3.002274684e+00 -3.002274684e+00 3.08 -2.978437041e+00 -2.978437041e+00 3.10 -2.951698909e+00 -2.951698909e+00 3.12 -2.922349218e+00 -2.922349218e+00 3.14 -2.890664689e+00 -2.890664689e+00 3.16 -2.856897772e+00 -2.856897772e+00 3.18 -2.821290394e+00 -2.821290394e+00 3.20 -2.784072247e+00 -2.784072247e+00 3.22 -2.745461883e+00 -2.745461883e+00 3.24 -2.705668030e+00 -2.705668030e+00 3.26 -2.664891168e+00 -2.664891168e+00 3.28 -2.623324748e+00 -2.623324748e+00 3.30 -2.581155122e+00 -2.581155122e+00 3.32 -2.538559545e+00 -2.538559545e+00 3.34 -2.495702413e+00 -2.495702413e+00 3.36 -2.452730780e+00 -2.452730780e+00 3.38 -2.409770651e+00 -2.409770651e+00 3.40 -2.366924095e+00 -2.366924095e+00 3.42 -2.324274897e+00 -2.324274897e+00 3.44 -2.281883484e+00 -2.281883484e+00 3.46 -2.239796400e+00 -2.239796400e+00 3.48 -2.198048837e+00 -2.198048837e+00 3.50 -2.156668087e+00 -2.156668087e+00 3.52 -2.115676082e+00 -2.115676082e+00 3.54 -2.075106352e+00 -2.075106352e+00 3.56 -2.034987031e+00 -2.034987031e+00 3.58 -1.995307009e+00 -1.995307009e+00 3.60 -1.956056812e+00 -1.956056812e+00 3.62 -1.917228345e+00 -1.917228345e+00 3.64 -1.878814263e+00 -1.878814263e+00 3.66 -1.840807648e+00 -1.840807648e+00 3.68 -1.803202032e+00 -1.803202032e+00 3.70 -1.765991797e+00 -1.765991797e+00 3.72 -1.729172801e+00 -1.729172801e+00 3.74 -1.692733177e+00 -1.692733177e+00 3.76 -1.656637865e+00 -1.656637865e+00 3.78 -1.620859560e+00 -1.620859560e+00 3.80 -1.585384656e+00 -1.585384656e+00 3.82 -1.550213070e+00 -1.550213070e+00 3.84 -1.515357385e+00 -1.515357385e+00 3.86 -1.480841037e+00 -1.480841037e+00 3.88 -1.446695493e+00 -1.446695493e+00 3.90 -1.412956638e+00 -1.412956638e+00 3.92 -1.379659372e+00 -1.379659372e+00 3.94 -1.346840175e+00 -1.346840175e+00 3.96 -1.314524628e+00 -1.314524628e+00 3.98 -1.282732952e+00 -1.282732952e+00 4.00 -1.251478203e+00 -1.251478203e+00 4.02 -1.220767507e+00 -1.220767507e+00 4.04 -1.190604019e+00 -1.190604019e+00 4.06 -1.160989100e+00 -1.160989100e+00 4.08 -1.131924224e+00 -1.131924224e+00 4.10 -1.103408636e+00 -1.103408636e+00 4.12 -1.075455156e+00 -1.075455156e+00 4.14 -1.048065976e+00 -1.048065976e+00 4.16 -1.021248737e+00 -1.021248737e+00 4.18 -9.950108956e-01 -9.950108956e-01 4.20 -9.693584385e-01 -9.693584385e-01 4.22 -9.442947316e-01 -9.442947316e-01 4.24 -9.198196566e-01 -9.198196566e-01 4.26 -8.959291412e-01 -8.959291412e-01 4.28 -8.726150916e-01 -8.726150916e-01 4.30 -8.498656709e-01 -8.498656709e-01 4.32 -8.276658287e-01 -8.276658287e-01 4.34 -8.059979713e-01 -8.059979713e-01 4.36 -7.848426727e-01 -7.848426727e-01 4.38 -7.641793498e-01 -7.641793498e-01 4.40 -7.439868530e-01 -7.439868530e-01 4.42 -7.242439534e-01 -7.242439534e-01 4.44 -7.049297252e-01 -7.049297252e-01 4.46 -6.860238424e-01 -6.860238424e-01 4.48 -6.675068117e-01 -6.675068117e-01 4.50 -6.493601705e-01 -6.493601705e-01 4.52 -6.315666727e-01 -6.315666727e-01 4.54 -6.141104861e-01 -6.141104861e-01 4.56 -5.969774114e-01 -5.969774114e-01 4.58 -5.801551303e-01 -5.801551303e-01 4.60 -5.636334760e-01 -5.636334760e-01 4.62 -5.474047124e-01 -5.474047124e-01 4.64 -5.314637956e-01 -5.314637956e-01 4.66 -5.158085832e-01 -5.158085832e-01 4.68 -5.004399540e-01 -5.004399540e-01 4.70 -4.853617958e-01 -4.853617958e-01 4.72 -4.705808294e-01 -4.705808294e-01 4.74 -4.561062464e-01 -4.561062464e-01 4.76 -4.419491612e-01 -4.419491612e-01 4.78 -4.281218987e-01 -4.281218987e-01 4.80 -4.146336975e-01 -4.146336975e-01 4.82 -4.015042870e-01 -4.015042870e-01 4.84 -3.887403562e-01 -3.887403562e-01 4.86 -3.763506597e-01 -3.763506597e-01 4.88 -3.643412438e-01 -3.643412438e-01 4.90 -3.527150609e-01 -3.527150609e-01 4.92 -3.414718035e-01 -3.414718035e-01 4.94 -3.306079490e-01 -3.306079490e-01 4.96 -3.201169835e-01 -3.201169835e-01 4.98 -3.099897597e-01 -3.099897597e-01 5.00 -3.002149401e-01 -3.002149401e-01 5.02 -2.907794767e-01 -2.907794767e-01 5.04 -2.816690881e-01 -2.816690881e-01 5.06 -2.728687033e-01 -2.728687033e-01 5.08 -2.643628543e-01 -2.643628543e-01 5.10 -2.561360083e-01 -2.561360083e-01 5.12 -2.481728374e-01 -2.481728374e-01 5.14 -2.404584335e-01 -2.404584335e-01 5.16 -2.329784746e-01 -2.329784746e-01 5.18 -2.257193540e-01 -2.257193540e-01 5.20 -2.186682827e-01 -2.186682827e-01 5.22 -2.118133750e-01 -2.118133750e-01 5.24 -2.051437245e-01 -2.051437245e-01 5.26 -1.986494766e-01 -1.986494766e-01 5.28 -1.923218992e-01 -1.923218992e-01 5.30 -1.861534515e-01 -1.861534515e-01 5.32 -1.801378468e-01 -1.801378468e-01 5.34 -1.742701014e-01 -1.742701014e-01 5.36 -1.685465605e-01 -1.685465605e-01 5.38 -1.629648889e-01 -1.629648889e-01 5.40 -1.575240153e-01 -1.575240153e-01 5.42 -1.522240212e-01 -1.522240212e-01 5.44 -1.470659673e-01 -1.470659673e-01 5.46 -1.420516613e-01 -1.420516613e-01 5.48 -1.371833731e-01 -1.371833731e-01 5.50 -1.324635148e-01 -1.324635148e-01 5.52 -1.278943091e-01 -1.278943091e-01 5.54 -1.234774709e-01 -1.234774709e-01 5.56 -1.192139275e-01 -1.192139275e-01 5.58 -1.151036045e-01 -1.151036045e-01 5.60 -1.111452872e-01 -1.111452872e-01 5.62 -1.073365639e-01 -1.073365639e-01 5.64 -1.036738485e-01 -1.036738485e-01 5.66 -1.001524714e-01 -1.001524714e-01 5.68 -9.676682022e-02 -9.676682022e-02 5.70 -9.351051064e-02 -9.351051064e-02 5.72 -9.037657172e-02 -9.037657172e-02 5.74 -8.735762864e-02 -8.735762864e-02 5.76 -8.444605399e-02 -8.444605399e-02 5.78 -8.163414200e-02 -8.163414200e-02 5.80 -7.891423032e-02 -7.891423032e-02 5.82 -7.627878194e-02 -7.627878194e-02 5.84 -7.372045553e-02 -7.372045553e-02 5.86 -7.123214178e-02 -7.123214178e-02 5.88 -6.880701410e-02 -6.880701410e-02 5.90 -6.643856827e-02 -6.643856827e-02 5.92 -6.412061702e-02 -6.412061702e-02 5.94 -6.184730534e-02 -6.184730534e-02 5.96 -5.961312748e-02 -5.961312748e-02 5.98 -5.741294881e-02 -5.741294881e-02 6.00 -5.524203520e-02 -5.524203520e-02