# 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 = CoMgPb2 # 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 3.478699976e+02 3.478699976e+02 1.30 3.238615143e+02 3.238615143e+02 1.32 3.015818587e+02 3.015818587e+02 1.34 2.808930625e+02 2.808930625e+02 1.36 2.616687576e+02 2.616687576e+02 1.38 2.437933213e+02 2.437933213e+02 1.40 2.271615040e+02 2.271615040e+02 1.42 2.116781754e+02 2.116781754e+02 1.44 1.972575039e+02 1.972575039e+02 1.46 1.838215750e+02 1.838215750e+02 1.48 1.712989115e+02 1.712989115e+02 1.50 1.596233099e+02 1.596233099e+02 1.52 1.487332234e+02 1.487332234e+02 1.54 1.385716508e+02 1.385716508e+02 1.56 1.290860522e+02 1.290860522e+02 1.58 1.202281192e+02 1.202281192e+02 1.60 1.119534092e+02 1.119534092e+02 1.62 1.042210501e+02 1.042210501e+02 1.64 9.699349291e+01 9.699349291e+01 1.66 9.023633949e+01 9.023633949e+01 1.68 8.392775695e+01 8.392775695e+01 1.70 7.804473216e+01 7.804473216e+01 1.72 7.255808759e+01 7.255808759e+01 1.74 6.744042558e+01 6.744042558e+01 1.76 6.266602727e+01 6.266602727e+01 1.78 5.821086026e+01 5.821086026e+01 1.80 5.405259562e+01 5.405259562e+01 1.82 5.017062651e+01 5.017062651e+01 1.84 4.654603028e+01 4.654603028e+01 1.86 4.316145719e+01 4.316145719e+01 1.88 4.000095569e+01 4.000095569e+01 1.90 3.704976053e+01 3.704976053e+01 1.92 3.429409895e+01 3.429409895e+01 1.94 3.172109722e+01 3.172109722e+01 1.96 2.931872702e+01 2.931872702e+01 1.98 2.707577262e+01 2.707577262e+01 2.00 2.498176285e+01 2.498176285e+01 2.02 2.302688651e+01 2.302688651e+01 2.04 2.120193161e+01 2.120193161e+01 2.06 1.949827104e+01 1.949827104e+01 2.08 1.790787878e+01 1.790787878e+01 2.10 1.642333170e+01 1.642333170e+01 2.12 1.503779203e+01 1.503779203e+01 2.14 1.374495021e+01 1.374495021e+01 2.16 1.253895858e+01 1.253895858e+01 2.18 1.141436829e+01 1.141436829e+01 2.20 1.036607699e+01 1.036607699e+01 2.22 9.389293159e+00 9.389293159e+00 2.24 8.479511057e+00 8.479511057e+00 2.26 7.632493590e+00 7.632493590e+00 2.28 6.844259805e+00 6.844259805e+00 2.30 6.111071183e+00 6.111071183e+00 2.32 5.429409866e+00 5.429409866e+00 2.34 4.795970009e+00 4.795970009e+00 2.36 4.207630554e+00 4.207630554e+00 2.38 3.661439853e+00 3.661439853e+00 2.40 3.154602862e+00 3.154602862e+00 2.42 2.684474955e+00 2.684474955e+00 2.44 2.248563224e+00 2.248563224e+00 2.46 1.844532759e+00 1.844532759e+00 2.48 1.470214377e+00 1.470214377e+00 2.50 1.123608942e+00 1.123608942e+00 2.52 8.028845091e-01 8.028845091e-01 2.54 5.063335296e-01 5.063335296e-01 2.56 2.324200138e-01 2.324200138e-01 2.58 -2.024020542e-02 -2.024020542e-02 2.60 -2.529450863e-01 -2.529450863e-01 2.62 -4.669196437e-01 -4.669196437e-01 2.64 -6.633297845e-01 -6.633297845e-01 2.66 -8.432791732e-01 -8.432791732e-01 2.68 -1.007816814e+00 -1.007816814e+00 2.70 -1.157936421e+00 -1.157936421e+00 2.72 -1.294555979e+00 -1.294555979e+00 2.74 -1.418509910e+00 -1.418509910e+00 2.76 -1.530590742e+00 -1.530590742e+00 2.78 -1.631552022e+00 -1.631552022e+00 2.80 -1.722109796e+00 -1.722109796e+00 2.82 -1.802939115e+00 -1.802939115e+00 2.84 -1.874676550e+00 -1.874676550e+00 2.86 -1.937920402e+00 -1.937920402e+00 2.88 -1.993232221e+00 -1.993232221e+00 2.90 -2.041139062e+00 -2.041139062e+00 2.92 -2.082136462e+00 -2.082136462e+00 2.94 -2.116692104e+00 -2.116692104e+00 2.96 -2.145249973e+00 -2.145249973e+00 2.98 -2.168234634e+00 -2.168234634e+00 3.00 -2.186055030e+00 -2.186055030e+00 3.02 -2.199107083e+00 -2.199107083e+00 3.04 -2.207773650e+00 -2.207773650e+00 3.06 -2.212427181e+00 -2.212427181e+00 3.08 -2.213421519e+00 -2.213421519e+00 3.10 -2.211113317e+00 -2.211113317e+00 3.12 -2.205873474e+00 -2.205873474e+00 3.14 -2.197937946e+00 -2.197937946e+00 3.16 -2.187522855e+00 -2.187522855e+00 3.18 -2.174842620e+00 -2.174842620e+00 3.20 -2.160106145e+00 -2.160106145e+00 3.22 -2.143514140e+00 -2.143514140e+00 3.24 -2.125256261e+00 -2.125256261e+00 3.26 -2.105508200e+00 -2.105508200e+00 3.28 -2.084420103e+00 -2.084420103e+00 3.30 -2.062114452e+00 -2.062114452e+00 3.32 -2.038710209e+00 -2.038710209e+00 3.34 -2.014319522e+00 -2.014319522e+00 3.36 -1.989023966e+00 -1.989023966e+00 3.38 -1.962900510e+00 -1.962900510e+00 3.40 -1.936022453e+00 -1.936022453e+00 3.42 -1.908461179e+00 -1.908461179e+00 3.44 -1.880283987e+00 -1.880283987e+00 3.46 -1.851555821e+00 -1.851555821e+00 3.48 -1.822338837e+00 -1.822338837e+00 3.50 -1.792691796e+00 -1.792691796e+00 3.52 -1.762659312e+00 -1.762659312e+00 3.54 -1.732273466e+00 -1.732273466e+00 3.56 -1.701567542e+00 -1.701567542e+00 3.58 -1.670576320e+00 -1.670576320e+00 3.60 -1.639336088e+00 -1.639336088e+00 3.62 -1.607884924e+00 -1.607884924e+00 3.64 -1.576263158e+00 -1.576263158e+00 3.66 -1.544513875e+00 -1.544513875e+00 3.68 -1.512683326e+00 -1.512683326e+00 3.70 -1.480821049e+00 -1.480821049e+00 3.72 -1.448979568e+00 -1.448979568e+00 3.74 -1.417213618e+00 -1.417213618e+00 3.76 -1.385578899e+00 -1.385578899e+00 3.78 -1.354130517e+00 -1.354130517e+00 3.80 -1.322921322e+00 -1.322921322e+00 3.82 -1.292000363e+00 -1.292000363e+00 3.84 -1.261411687e+00 -1.261411687e+00 3.86 -1.231193563e+00 -1.231193563e+00 3.88 -1.201378172e+00 -1.201378172e+00 3.90 -1.171991686e+00 -1.171991686e+00 3.92 -1.143053778e+00 -1.143053778e+00 3.94 -1.114581775e+00 -1.114581775e+00 3.96 -1.086585602e+00 -1.086585602e+00 3.98 -1.059072428e+00 -1.059072428e+00 4.00 -1.032046221e+00 -1.032046221e+00 4.02 -1.005508329e+00 -1.005508329e+00 4.04 -9.794579912e-01 -9.794579912e-01 4.06 -9.538928084e-01 -9.538928084e-01 4.08 -9.288091651e-01 -9.288091651e-01 4.10 -9.042004558e-01 -9.042004558e-01 4.12 -8.800665453e-01 -8.800665453e-01 4.14 -8.563998830e-01 -8.563998830e-01 4.16 -8.331959051e-01 -8.331959051e-01 4.18 -8.104507615e-01 -8.104507615e-01 4.20 -7.881616563e-01 -7.881616563e-01 4.22 -7.663271114e-01 -7.663271114e-01 4.24 -7.449471024e-01 -7.449471024e-01 4.26 -7.240230214e-01 -7.240230214e-01 4.28 -7.035574375e-01 -7.035574375e-01 4.30 -6.835536540e-01 -6.835536540e-01 4.32 -6.640151036e-01 -6.640151036e-01 4.34 -6.449446564e-01 -6.449446564e-01 4.36 -6.263439418e-01 -6.263439418e-01 4.38 -6.082127812e-01 -6.082127812e-01 4.40 -5.905488091e-01 -5.905488091e-01 4.42 -5.733473177e-01 -5.733473177e-01 4.44 -5.566013169e-01 -5.566013169e-01 4.46 -5.403017677e-01 -5.403017677e-01 4.48 -5.244379243e-01 -5.244379243e-01 4.50 -5.089977214e-01 -5.089977214e-01 4.52 -4.939681527e-01 -4.939681527e-01 4.54 -4.793356034e-01 -4.793356034e-01 4.56 -4.650861191e-01 -4.650861191e-01 4.58 -4.512056105e-01 -4.512056105e-01 4.60 -4.376800002e-01 -4.376800002e-01 4.62 -4.244953289e-01 -4.244953289e-01 4.64 -4.116378356e-01 -4.116378356e-01 4.66 -3.990940306e-01 -3.990940306e-01 4.68 -3.868507744e-01 -3.868507744e-01 4.70 -3.748953742e-01 -3.748953742e-01 4.72 -3.632157064e-01 -3.632157064e-01 4.74 -3.518003696e-01 -3.518003696e-01 4.76 -3.406388673e-01 -3.406388673e-01 4.78 -3.297218140e-01 -3.297218140e-01 4.80 -3.190394736e-01 -3.190394736e-01 4.82 -3.085889714e-01 -3.085889714e-01 4.84 -2.983635355e-01 -2.983635355e-01 4.86 -2.883602551e-01 -2.883602551e-01 4.88 -2.785781151e-01 -2.785781151e-01 4.90 -2.690179183e-01 -2.690179183e-01 4.92 -2.596820723e-01 -2.596820723e-01 4.94 -2.505742385e-01 -2.505742385e-01 4.96 -2.416988602e-01 -2.416988602e-01 4.98 -2.330606087e-01 -2.330606087e-01 5.00 -2.246638042e-01 -2.246638042e-01 5.02 -2.165118760e-01 -2.165118760e-01 5.04 -2.086069275e-01 -2.086069275e-01 5.06 -2.009494539e-01 -2.009494539e-01 5.08 -1.935382395e-01 -1.935382395e-01 5.10 -1.863704348e-01 -1.863704348e-01 5.12 -1.794417848e-01 -1.794417848e-01 5.14 -1.727469673e-01 -1.727469673e-01 5.16 -1.662799849e-01 -1.662799849e-01 5.18 -1.600345602e-01 -1.600345602e-01 5.20 -1.540044820e-01 -1.540044820e-01 5.22 -1.481838759e-01 -1.481838759e-01 5.24 -1.425673781e-01 -1.425673781e-01 5.26 -1.371502051e-01 -1.371502051e-01 5.28 -1.319281276e-01 -1.319281276e-01 5.30 -1.268973659e-01 -1.268973659e-01 5.32 -1.220544306e-01 -1.220544306e-01 5.34 -1.173959313e-01 -1.173959313e-01 5.36 -1.129183809e-01 -1.129183809e-01 5.38 -1.086180192e-01 -1.086180192e-01 5.40 -1.044906694e-01 -1.044906694e-01 5.42 -1.005316393e-01 -1.005316393e-01 5.44 -9.673566979e-02 -9.673566979e-02 5.46 -9.309692911e-02 -9.309692911e-02 5.48 -8.960904620e-02 -8.960904620e-02 5.50 -8.626517496e-02 -8.626517496e-02 5.52 -8.305805943e-02 -8.305805943e-02 5.54 -7.997989044e-02 -7.997989044e-02 5.56 -7.702297329e-02 -7.702297329e-02 5.58 -7.417961339e-02 -7.417961339e-02 5.60 -7.144208700e-02 -7.144208700e-02 5.62 -6.880273632e-02 -6.880273632e-02 5.64 -6.625405327e-02 -6.625405327e-02 5.66 -6.378875190e-02 -6.378875190e-02 5.68 -6.139983026e-02 -6.139983026e-02 5.70 -5.908062255e-02 -5.908062255e-02 5.72 -5.682484349e-02 -5.682484349e-02 5.74 -5.462662614e-02 -5.462662614e-02 5.76 -5.248055530e-02 -5.248055530e-02 5.78 -5.038169770e-02 -5.038169770e-02 5.80 -4.832563051e-02 -4.832563051e-02 5.82 -4.630846887e-02 -4.630846887e-02 5.84 -4.432689288e-02 -4.432689288e-02 5.86 -4.237817361e-02 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