# 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 = CuMg2W # 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 3.706966545e+02 3.706966545e+02 1.30 3.429270233e+02 3.429270233e+02 1.32 3.172918639e+02 3.172918639e+02 1.34 2.936139466e+02 2.936139466e+02 1.36 2.717289539e+02 2.717289539e+02 1.38 2.514859919e+02 2.514859919e+02 1.40 2.327482245e+02 2.327482245e+02 1.42 2.153928854e+02 2.153928854e+02 1.44 1.993102642e+02 1.993102642e+02 1.46 1.844018914e+02 1.844018914e+02 1.48 1.705785725e+02 1.705785725e+02 1.50 1.577588620e+02 1.577588620e+02 1.52 1.458681828e+02 1.458681828e+02 1.54 1.348383219e+02 1.348383219e+02 1.56 1.246069530e+02 1.246069530e+02 1.58 1.151170894e+02 1.151170894e+02 1.60 1.063165350e+02 1.063165350e+02 1.62 9.815734635e+01 9.815734635e+01 1.64 9.059560062e+01 9.059560062e+01 1.66 8.359054661e+01 8.359054661e+01 1.68 7.710330517e+01 7.710330517e+01 1.70 7.109694628e+01 7.109694628e+01 1.72 6.553620507e+01 6.553620507e+01 1.74 6.038728620e+01 6.038728620e+01 1.76 5.561794194e+01 5.561794194e+01 1.78 5.119828179e+01 5.119828179e+01 1.80 4.710061519e+01 4.710061519e+01 1.82 4.329956789e+01 4.329956789e+01 1.84 3.977212945e+01 3.977212945e+01 1.86 3.649761975e+01 3.649761975e+01 1.88 3.345755870e+01 3.345755870e+01 1.90 3.063544351e+01 3.063544351e+01 1.92 2.801644909e+01 2.801644909e+01 1.94 2.558710635e+01 2.558710635e+01 1.96 2.333501283e+01 2.333501283e+01 1.98 2.124861214e+01 2.124861214e+01 2.00 1.931703306e+01 1.931703306e+01 2.02 1.752996567e+01 1.752996567e+01 2.04 1.587756353e+01 1.587756353e+01 2.06 1.435037187e+01 1.435037187e+01 2.08 1.293928881e+01 1.293928881e+01 2.10 1.163556960e+01 1.163556960e+01 2.12 1.043087323e+01 1.043087323e+01 2.14 9.317338086e+00 9.317338086e+00 2.16 8.287664257e+00 8.287664257e+00 2.18 7.335196204e+00 7.335196204e+00 2.20 6.454009757e+00 6.454009757e+00 2.22 5.638490022e+00 5.638490022e+00 2.24 4.883588492e+00 4.883588492e+00 2.26 4.184803066e+00 4.184803066e+00 2.28 3.538082460e+00 3.538082460e+00 2.30 2.939754594e+00 2.939754594e+00 2.32 2.386704194e+00 2.386704194e+00 2.34 1.876218027e+00 1.876218027e+00 2.36 1.405651596e+00 1.405651596e+00 2.38 9.724665118e-01 9.724665118e-01 2.40 5.742625466e-01 5.742625466e-01 2.42 2.087860125e-01 2.087860125e-01 2.44 -1.260768402e-01 -1.260768402e-01 2.46 -4.323147548e-01 -4.323147548e-01 2.48 -7.118042875e-01 -7.118042875e-01 2.50 -9.663179808e-01 -9.663179808e-01 2.52 -1.197527893e+00 -1.197527893e+00 2.54 -1.407006522e+00 -1.407006522e+00 2.56 -1.596227501e+00 -1.596227501e+00 2.58 -1.766568041e+00 -1.766568041e+00 2.60 -1.919314247e+00 -1.919314247e+00 2.62 -2.055668806e+00 -2.055668806e+00 2.64 -2.176762249e+00 -2.176762249e+00 2.66 -2.283807533e+00 -2.283807533e+00 2.68 -2.377900522e+00 -2.377900522e+00 2.70 -2.459674912e+00 -2.459674912e+00 2.72 -2.529752943e+00 -2.529752943e+00 2.74 -2.588746397e+00 -2.588746397e+00 2.76 -2.637247223e+00 -2.637247223e+00 2.78 -2.675819411e+00 -2.675819411e+00 2.80 -2.705014513e+00 -2.705014513e+00 2.82 -2.725397173e+00 -2.725397173e+00 2.84 -2.737507290e+00 -2.737507290e+00 2.86 -2.741864185e+00 -2.741864185e+00 2.88 -2.738982153e+00 -2.738982153e+00 2.90 -2.729385347e+00 -2.729385347e+00 2.92 -2.713619476e+00 -2.713619476e+00 2.94 -2.692258377e+00 -2.692258377e+00 2.96 -2.665904312e+00 -2.665904312e+00 2.98 -2.635181711e+00 -2.635181711e+00 3.00 -2.600724983e+00 -2.600724983e+00 3.02 -2.563161868e+00 -2.563161868e+00 3.04 -2.523094231e+00 -2.523094231e+00 3.06 -2.481080375e+00 -2.481080375e+00 3.08 -2.437617179e+00 -2.437617179e+00 3.10 -2.393129752e+00 -2.393129752e+00 3.12 -2.347964630e+00 -2.347964630e+00 3.14 -2.302391778e+00 -2.302391778e+00 3.16 -2.256606170e+00 -2.256606170e+00 3.18 -2.210739262e+00 -2.210739262e+00 3.20 -2.164869912e+00 -2.164869912e+00 3.22 -2.119037185e+00 -2.119037185e+00 3.24 -2.073253145e+00 -2.073253145e+00 3.26 -2.027514623e+00 -2.027514623e+00 3.28 -1.981857050e+00 -1.981857050e+00 3.30 -1.936264673e+00 -1.936264673e+00 3.32 -1.890653636e+00 -1.890653636e+00 3.34 -1.844964101e+00 -1.844964101e+00 3.36 -1.799162736e+00 -1.799162736e+00 3.38 -1.753242277e+00 -1.753242277e+00 3.40 -1.707105159e+00 -1.707105159e+00 3.42 -1.660526881e+00 -1.660526881e+00 3.44 -1.613354287e+00 -1.613354287e+00 3.46 -1.565524927e+00 -1.565524927e+00 3.48 -1.517064590e+00 -1.517064590e+00 3.50 -1.468079587e+00 -1.468079587e+00 3.52 -1.418743806e+00 -1.418743806e+00 3.54 -1.369281558e+00 -1.369281558e+00 3.56 -1.319947955e+00 -1.319947955e+00 3.58 -1.271008934e+00 -1.271008934e+00 3.60 -1.222722948e+00 -1.222722948e+00 3.62 -1.175325985e+00 -1.175325985e+00 3.64 -1.129020907e+00 -1.129020907e+00 3.66 -1.083971455e+00 -1.083971455e+00 3.68 -1.040300625e+00 -1.040300625e+00 3.70 -9.980927041e-01 -9.980927041e-01 3.72 -9.573979593e-01 -9.573979593e-01 3.74 -9.182389217e-01 -9.182389217e-01 3.76 -8.806172359e-01 -8.806172359e-01 3.78 -8.445201869e-01 -8.445201869e-01 3.80 -8.099262148e-01 -8.099262148e-01 3.82 -7.768089602e-01 -7.768089602e-01 3.84 -7.451396447e-01 -7.451396447e-01 3.86 -7.148878563e-01 -7.148878563e-01 3.88 -6.860210534e-01 -6.860210534e-01 3.90 -6.585032773e-01 -6.585032773e-01 3.92 -6.322934175e-01 -6.322934175e-01 3.94 -6.073449107e-01 -6.073449107e-01 3.96 -5.836037027e-01 -5.836037027e-01 3.98 -5.610095140e-01 -5.610095140e-01 4.00 -5.394965409e-01 -5.394965409e-01 4.02 -5.189949790e-01 -5.189949790e-01 4.04 -4.994328185e-01 -4.994328185e-01 4.06 -4.807376523e-01 -4.807376523e-01 4.08 -4.628382999e-01 -4.628382999e-01 4.10 -4.456654719e-01 -4.456654719e-01 4.12 -4.291555419e-01 -4.291555419e-01 4.14 -4.132468373e-01 -4.132468373e-01 4.16 -3.978831921e-01 -3.978831921e-01 4.18 -3.830133933e-01 -3.830133933e-01 4.20 -3.685913675e-01 -3.685913675e-01 4.22 -3.545763407e-01 -3.545763407e-01 4.24 -3.409330152e-01 -3.409330152e-01 4.26 -3.276317861e-01 -3.276317861e-01 4.28 -3.146489938e-01 -3.146489938e-01 4.30 -3.019671818e-01 -3.019671818e-01 4.32 -2.895753075e-01 -2.895753075e-01 4.34 -2.774688329e-01 -2.774688329e-01 4.36 -2.656496120e-01 -2.656496120e-01 4.38 -2.541254990e-01 -2.541254990e-01 4.40 -2.429096182e-01 -2.429096182e-01 4.42 -2.320192763e-01 -2.320192763e-01 4.44 -2.214745495e-01 -2.214745495e-01 4.46 -2.112966324e-01 -2.112966324e-01 4.48 -2.015060837e-01 -2.015060837e-01 4.50 -1.921211339e-01 -1.921211339e-01 4.52 -1.831562193e-01 -1.831562193e-01 4.54 -1.746208809e-01 -1.746208809e-01 4.56 -1.665191127e-01 -1.665191127e-01 4.58 -1.588491821e-01 -1.588491821e-01 4.60 -1.516038840e-01 -1.516038840e-01 4.62 -1.447711437e-01 -1.447711437e-01 4.64 -1.383348562e-01 -1.383348562e-01 4.66 -1.322758468e-01 -1.322758468e-01 4.68 -1.265728496e-01 -1.265728496e-01 4.70 -1.212034221e-01 -1.212034221e-01 4.72 -1.161447259e-01 -1.161447259e-01 4.74 -1.113741855e-01 -1.113741855e-01 4.76 -1.068699834e-01 -1.068699834e-01 4.78 -1.026114099e-01 -1.026114099e-01 4.80 -9.857867882e-02 -9.857867882e-02 4.82 -9.475474940e-02 -9.475474940e-02 4.84 -9.112268700e-02 -9.112268700e-02 4.86 -8.766751668e-02 -8.766751668e-02 4.88 -8.437566251e-02 -8.437566251e-02 4.90 -8.123474503e-02 -8.123474503e-02 4.92 -7.823341296e-02 -7.823341296e-02 4.94 -7.536180830e-02 -7.536180830e-02 4.96 -7.261103973e-02 -7.261103973e-02 4.98 -6.997305393e-02 -6.997305393e-02 5.00 -6.744054391e-02 -6.744054391e-02 5.02 -6.500686360e-02 -6.500686360e-02 5.04 -6.266595004e-02 -6.266595004e-02 5.06 -6.041225398e-02 -6.041225398e-02 5.08 -5.824067923e-02 -5.824067923e-02 5.10 -5.614653064e-02 -5.614653064e-02 5.12 -5.412547056e-02 -5.412547056e-02 5.14 -5.217348354e-02 -5.217348354e-02 5.16 -5.028684880e-02 -5.028684880e-02 5.18 -4.846212034e-02 -4.846212034e-02 5.20 -4.669611396e-02 -4.669611396e-02 5.22 -4.498590090e-02 -4.498590090e-02 5.24 -4.332880735e-02 -4.332880735e-02 5.26 -4.172241865e-02 -4.172241865e-02 5.28 -4.016458718e-02 -4.016458718e-02 5.30 -3.865344187e-02 -3.865344187e-02 5.32 -3.718739744e-02 -3.718739744e-02 5.34 -3.576516049e-02 -3.576516049e-02 5.36 -3.438572984e-02 -3.438572984e-02 5.38 -3.304838785e-02 -3.304838785e-02 5.40 -3.175268059e-02 -3.175268059e-02 5.42 -3.049838496e-02 -3.049838496e-02 5.44 -2.928546235e-02 -2.928546235e-02 5.46 -2.811399990e-02 -2.811399990e-02 5.48 -2.698414242e-02 -2.698414242e-02 5.50 -2.589601957e-02 -2.589601957e-02 5.52 -2.484967381e-02 -2.484967381e-02 5.54 -2.384499538e-02 -2.384499538e-02 5.56 -2.288166966e-02 -2.288166966e-02 5.58 -2.195914102e-02 -2.195914102e-02 5.60 -2.107659541e-02 -2.107659541e-02 5.62 -2.023296157e-02 -2.023296157e-02 5.64 -1.942692878e-02 -1.942692878e-02 5.66 -1.865697780e-02 -1.865697780e-02 5.68 -1.792142045e-02 -1.792142045e-02 5.70 -1.721844360e-02 -1.721844360e-02 5.72 -1.654615339e-02 -1.654615339e-02 5.74 -1.590261624e-02 -1.590261624e-02 5.76 -1.528586789e-02 -1.528586789e-02 5.78 -1.469398816e-02 -1.469398816e-02 5.80 -1.412512650e-02 -1.412512650e-02 5.82 -1.357749942e-02 -1.357749942e-02 5.84 -1.304940251e-02 -1.304940251e-02 5.86 -1.253921801e-02 -1.253921801e-02 5.88 -1.204541891e-02 -1.204541891e-02 5.90 -1.156657088e-02 -1.156657088e-02 5.92 -1.110133287e-02 -1.110133287e-02 5.94 -1.064845732e-02 -1.064845732e-02 5.96 -1.020679066e-02 -1.020679066e-02 5.98 -9.775274796e-03 -9.775274796e-03 6.00 -9.352949756e-03 -9.352949756e-03