# 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 = AlAu2Ni # 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 2.111040132e+02 2.111040132e+02 1.30 1.956183933e+02 1.956183933e+02 1.32 1.812652759e+02 1.812652759e+02 1.34 1.679563783e+02 1.679563783e+02 1.36 1.556111803e+02 1.556111803e+02 1.38 1.441545447e+02 1.441545447e+02 1.40 1.335161320e+02 1.335161320e+02 1.42 1.236308439e+02 1.236308439e+02 1.44 1.144394866e+02 1.144394866e+02 1.46 1.058891945e+02 1.058891945e+02 1.48 9.793314734e+01 9.793314734e+01 1.50 9.052937991e+01 9.052937991e+01 1.52 8.363915168e+01 8.363915168e+01 1.54 7.722564445e+01 7.722564445e+01 1.56 7.125340181e+01 7.125340181e+01 1.58 6.568843709e+01 6.568843709e+01 1.60 6.049873018e+01 6.049873018e+01 1.62 5.565483140e+01 5.565483140e+01 1.64 5.113030323e+01 5.113030323e+01 1.66 4.690177663e+01 4.690177663e+01 1.68 4.295573883e+01 4.295573883e+01 1.70 3.929373956e+01 3.929373956e+01 1.72 3.589702185e+01 3.589702185e+01 1.74 3.274713232e+01 3.274713232e+01 1.76 2.982828389e+01 2.982828389e+01 1.78 2.712437190e+01 2.712437190e+01 1.80 2.462031677e+01 2.462031677e+01 1.82 2.230202601e+01 2.230202601e+01 1.84 2.015622870e+01 2.015622870e+01 1.86 1.817043732e+01 1.817043732e+01 1.88 1.633297989e+01 1.633297989e+01 1.90 1.463301618e+01 1.463301618e+01 1.92 1.306050644e+01 1.306050644e+01 1.94 1.160615758e+01 1.160615758e+01 1.96 1.026138048e+01 1.026138048e+01 1.98 9.018263999e+00 9.018263999e+00 2.00 7.869542986e+00 7.869542986e+00 2.02 6.808541686e+00 6.808541686e+00 2.04 5.829098632e+00 5.829098632e+00 2.06 4.925494618e+00 4.925494618e+00 2.08 4.092398281e+00 4.092398281e+00 2.10 3.324830006e+00 3.324830006e+00 2.12 2.618137585e+00 2.618137585e+00 2.14 1.967977380e+00 1.967977380e+00 2.16 1.370297466e+00 1.370297466e+00 2.18 8.213222662e-01 8.213222662e-01 2.20 3.175398571e-01 3.175398571e-01 2.22 -1.443071017e-01 -1.443071017e-01 2.24 -5.672273489e-01 -5.672273489e-01 2.26 -9.539861140e-01 -9.539861140e-01 2.28 -1.307112591e+00 -1.307112591e+00 2.30 -1.628913052e+00 -1.628913052e+00 2.32 -1.921491521e+00 -1.921491521e+00 2.34 -2.186776603e+00 -2.186776603e+00 2.36 -2.426550081e+00 -2.426550081e+00 2.38 -2.642472140e+00 -2.642472140e+00 2.40 -2.836100529e+00 -2.836100529e+00 2.42 -3.008904591e+00 -3.008904591e+00 2.44 -3.162276909e+00 -3.162276909e+00 2.46 -3.297544461e+00 -3.297544461e+00 2.48 -3.415978939e+00 -3.415978939e+00 2.50 -3.518804959e+00 -3.518804959e+00 2.52 -3.607205797e+00 -3.607205797e+00 2.54 -3.682327983e+00 -3.682327983e+00 2.56 -3.745286336e+00 -3.745286336e+00 2.58 -3.797169002e+00 -3.797169002e+00 2.60 -3.839035726e+00 -3.839035726e+00 2.62 -3.871912874e+00 -3.871912874e+00 2.64 -3.896826128e+00 -3.896826128e+00 2.66 -3.914790616e+00 -3.914790616e+00 2.68 -3.926449914e+00 -3.926449914e+00 2.70 -3.932362910e+00 -3.932362910e+00 2.72 -3.933487570e+00 -3.933487570e+00 2.74 -3.930485781e+00 -3.930485781e+00 2.76 -3.923280436e+00 -3.923280436e+00 2.78 -3.911848340e+00 -3.911848340e+00 2.80 -3.896211323e+00 -3.896211323e+00 2.82 -3.876414813e+00 -3.876414813e+00 2.84 -3.852522574e+00 -3.852522574e+00 2.86 -3.824617846e+00 -3.824617846e+00 2.88 -3.792803978e+00 -3.792803978e+00 2.90 -3.757213049e+00 -3.757213049e+00 2.92 -3.717993569e+00 -3.717993569e+00 2.94 -3.675311988e+00 -3.675311988e+00 2.96 -3.629359001e+00 -3.629359001e+00 2.98 -3.580356444e+00 -3.580356444e+00 3.00 -3.528563314e+00 -3.528563314e+00 3.02 -3.474278895e+00 -3.474278895e+00 3.04 -3.417840819e+00 -3.417840819e+00 3.06 -3.359616631e+00 -3.359616631e+00 3.08 -3.299988832e+00 -3.299988832e+00 3.10 -3.239335591e+00 -3.239335591e+00 3.12 -3.178010664e+00 -3.178010664e+00 3.14 -3.116326631e+00 -3.116326631e+00 3.16 -3.054544365e+00 -3.054544365e+00 3.18 -2.992869955e+00 -2.992869955e+00 3.20 -2.931458081e+00 -2.931458081e+00 3.22 -2.870419771e+00 -2.870419771e+00 3.24 -2.809832084e+00 -2.809832084e+00 3.26 -2.749747694e+00 -2.749747694e+00 3.28 -2.690203152e+00 -2.690203152e+00 3.30 -2.631225262e+00 -2.631225262e+00 3.32 -2.572835596e+00 -2.572835596e+00 3.34 -2.515053412e+00 -2.515053412e+00 3.36 -2.457897342e+00 -2.457897342e+00 3.38 -2.401386212e+00 -2.401386212e+00 3.40 -2.345539272e+00 -2.345539272e+00 3.42 -2.290376056e+00 -2.290376056e+00 3.44 -2.235916022e+00 -2.235916022e+00 3.46 -2.182178093e+00 -2.182178093e+00 3.48 -2.129180192e+00 -2.129180192e+00 3.50 -2.076938817e+00 -2.076938817e+00 3.52 -2.025468703e+00 -2.025468703e+00 3.54 -1.974782587e+00 -1.974782587e+00 3.56 -1.924891073e+00 -1.924891073e+00 3.58 -1.875802557e+00 -1.875802557e+00 3.60 -1.827523215e+00 -1.827523215e+00 3.62 -1.780057007e+00 -1.780057007e+00 3.64 -1.733405711e+00 -1.733405711e+00 3.66 -1.687568995e+00 -1.687568995e+00 3.68 -1.642544554e+00 -1.642544554e+00 3.70 -1.598328360e+00 -1.598328360e+00 3.72 -1.554915055e+00 -1.554915055e+00 3.74 -1.512298490e+00 -1.512298490e+00 3.76 -1.470472400e+00 -1.470472400e+00 3.78 -1.429431128e+00 -1.429431128e+00 3.80 -1.389170296e+00 -1.389170296e+00 3.82 -1.349687278e+00 -1.349687278e+00 3.84 -1.310981312e+00 -1.310981312e+00 3.86 -1.273053163e+00 -1.273053163e+00 3.88 -1.235904270e+00 -1.235904270e+00 3.90 -1.199535480e+00 -1.199535480e+00 3.92 -1.163945501e+00 -1.163945501e+00 3.94 -1.129129374e+00 -1.129129374e+00 3.96 -1.095077158e+00 -1.095077158e+00 3.98 -1.061773120e+00 -1.061773120e+00 4.00 -1.029195510e+00 -1.029195510e+00 4.02 -9.973169479e-01 -9.973169479e-01 4.04 -9.661053469e-01 -9.661053469e-01 4.06 -9.355252502e-01 -9.355252502e-01 4.08 -9.055394320e-01 -9.055394320e-01 4.10 -8.761106361e-01 -8.761106361e-01 4.12 -8.472034221e-01 -8.472034221e-01 4.14 -8.187858857e-01 -8.187858857e-01 4.16 -7.908314266e-01 -7.908314266e-01 4.18 -7.633203214e-01 -7.633203214e-01 4.20 -7.362410890e-01 -7.362410890e-01 4.22 -7.095915233e-01 -7.095915233e-01 4.24 -6.833792653e-01 -6.833792653e-01 4.26 -6.576217871e-01 -6.576217871e-01 4.28 -6.323456950e-01 -6.323456950e-01 4.30 -6.075853248e-01 -6.075853248e-01 4.32 -5.833806890e-01 -5.833806890e-01 4.34 -5.597749336e-01 -5.597749336e-01 4.36 -5.368115393e-01 -5.368115393e-01 4.38 -5.145315410e-01 -5.145315410e-01 4.40 -4.929710269e-01 -4.929710269e-01 4.42 -4.721591125e-01 -4.721591125e-01 4.44 -4.521164975e-01 -4.521164975e-01 4.46 -4.328546075e-01 -4.328546075e-01 4.48 -4.143752579e-01 -4.143752579e-01 4.50 -3.966707315e-01 -3.966707315e-01 4.52 -3.797241673e-01 -3.797241673e-01 4.54 -3.635101813e-01 -3.635101813e-01 4.56 -3.479956732e-01 -3.479956732e-01 4.58 -3.331407984e-01 -3.331407984e-01 4.60 -3.189000925e-01 -3.189000925e-01 4.62 -3.052237330e-01 -3.052237330e-01 4.64 -2.920589079e-01 -2.920589079e-01 4.66 -2.793512513e-01 -2.793512513e-01 4.68 -2.670462995e-01 -2.670462995e-01 4.70 -2.550909244e-01 -2.550909244e-01 4.72 -2.434347115e-01 -2.434347115e-01 4.74 -2.320312576e-01 -2.320312576e-01 4.76 -2.208393751e-01 -2.208393751e-01 4.78 -2.098241898e-01 -2.098241898e-01 4.80 -1.989581125e-01 -1.989581125e-01 4.82 -1.882216964e-01 -1.882216964e-01 4.84 -1.776042426e-01 -1.776042426e-01 4.86 -1.671042379e-01 -1.671042379e-01 4.88 -1.567294566e-01 -1.567294566e-01 4.90 -1.464967068e-01 -1.464967068e-01 4.92 -1.364311608e-01 -1.364311608e-01 4.94 -1.265652423e-01 -1.265652423e-01 4.96 -1.169370798e-01 -1.169370798e-01 4.98 -1.075885844e-01 -1.075885844e-01 5.00 -9.856325598e-02 -9.856325598e-02 5.02 -8.990386566e-02 -8.990386566e-02 5.04 -8.165018939e-02 -8.165018939e-02 5.06 -7.383696655e-02 -7.383696655e-02 5.08 -6.649223464e-02 -6.649223464e-02 5.10 -5.963616180e-02 -5.963616180e-02 5.12 -5.328042300e-02 -5.328042300e-02 5.14 -4.742813318e-02 -4.742813318e-02 5.16 -4.207427578e-02 -4.207427578e-02 5.18 -3.720652109e-02 -3.720652109e-02 5.20 -3.280629760e-02 -3.280629760e-02 5.22 -2.884969851e-02 -2.884969851e-02 5.24 -2.530971199e-02 -2.530971199e-02 5.26 -2.215698957e-02 -2.215698957e-02 5.28 -1.936043216e-02 -1.936043216e-02 5.30 -1.688905421e-02 -1.688905421e-02 5.32 -1.471241988e-02 -1.471241988e-02 5.34 -1.280106520e-02 -1.280106520e-02 5.36 -1.112700187e-02 -1.112700187e-02 5.38 -9.664053545e-03 -9.664053545e-03 5.40 -8.388052861e-03 -8.388052861e-03 5.42 -7.276927645e-03 -7.276927645e-03 5.44 -6.310702588e-03 -6.310702588e-03 5.46 -5.471439298e-03 -5.471439298e-03 5.48 -4.743133965e-03 -4.743133965e-03 5.50 -4.111588114e-03 -4.111588114e-03 5.52 -3.564264514e-03 -3.564264514e-03 5.54 -3.090137267e-03 -3.090137267e-03 5.56 -2.679542655e-03 -2.679542655e-03 5.58 -2.324035245e-03 -2.324035245e-03 5.60 -2.016252218e-03 -2.016252218e-03 5.62 -1.749787655e-03 -1.749787655e-03 5.64 -1.519077618e-03 -1.519077618e-03 5.66 -1.319296251e-03 -1.319296251e-03 5.68 -1.146262656e-03 -1.146262656e-03 5.70 -9.963580321e-04 -9.963580321e-04 5.72 -8.664523828e-04 -8.664523828e-04 5.74 -7.538400016e-04 -7.538400016e-04 5.76 -6.561829183e-04 -6.561829183e-04 5.78 -5.714614904e-04 -5.714614904e-04 5.80 -4.979313606e-04 -4.979313606e-04 5.82 -4.340860453e-04 -4.340860453e-04 5.84 -3.786244827e-04 -3.786244827e-04 5.86 -3.304229277e-04 -3.304229277e-04 5.88 -2.885106413e-04 -2.885106413e-04 5.90 -2.520488872e-04 -2.520488872e-04 5.92 -2.203127989e-04 -2.203127989e-04 5.94 -1.926757356e-04 -1.926757356e-04 5.96 -1.685957930e-04 -1.685957930e-04 5.98 -1.476041751e-04 -1.476041751e-04 6.00 -1.292951733e-04 -1.292951733e-04