# 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 = CoMo2Zr # 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 2.813276565e+02 2.813276565e+02 1.30 2.602973569e+02 2.602973569e+02 1.32 2.408600315e+02 2.408600315e+02 1.34 2.228778201e+02 2.228778201e+02 1.36 2.062240082e+02 2.062240082e+02 1.38 1.907839073e+02 1.907839073e+02 1.40 1.764554634e+02 1.764554634e+02 1.42 1.631486018e+02 1.631486018e+02 1.44 1.507835082e+02 1.507835082e+02 1.46 1.392888686e+02 1.392888686e+02 1.48 1.286007151e+02 1.286007151e+02 1.50 1.186616509e+02 1.186616509e+02 1.52 1.094201032e+02 1.094201032e+02 1.54 1.008295364e+02 1.008295364e+02 1.56 9.284777549e+01 9.284777549e+01 1.58 8.543636822e+01 8.543636822e+01 1.60 7.855974241e+01 7.855974241e+01 1.62 7.218415940e+01 7.218415940e+01 1.64 6.627679163e+01 6.627679163e+01 1.66 6.080523629e+01 6.080523629e+01 1.68 5.573756778e+01 5.573756778e+01 1.70 5.104281379e+01 5.104281379e+01 1.72 4.669147129e+01 4.669147129e+01 1.74 4.265588938e+01 4.265588938e+01 1.76 3.891047177e+01 3.891047177e+01 1.78 3.543179448e+01 3.543179448e+01 1.80 3.219864346e+01 3.219864346e+01 1.82 2.919199369e+01 2.919199369e+01 1.84 2.639486500e+01 2.639486500e+01 1.86 2.379253341e+01 2.379253341e+01 1.88 2.137248419e+01 2.137248419e+01 1.90 1.912652729e+01 1.912652729e+01 1.92 1.704494503e+01 1.704494503e+01 1.94 1.511742444e+01 1.511742444e+01 1.96 1.333415471e+01 1.333415471e+01 1.98 1.168578032e+01 1.168578032e+01 2.00 1.016334152e+01 1.016334152e+01 2.02 8.758243329e+00 8.758243329e+00 2.04 7.462220852e+00 7.462220852e+00 2.06 6.267293824e+00 6.267293824e+00 2.08 5.165729120e+00 5.165729120e+00 2.10 4.150051266e+00 4.150051266e+00 2.12 3.213113975e+00 3.213113975e+00 2.14 2.348214520e+00 2.348214520e+00 2.16 1.549225676e+00 1.549225676e+00 2.18 8.106814066e-01 8.106814066e-01 2.20 1.277997139e-01 1.277997139e-01 2.22 -5.035758337e-01 -5.035758337e-01 2.24 -1.087069643e+00 -1.087069643e+00 2.26 -1.625873805e+00 -1.625873805e+00 2.28 -2.122842834e+00 -2.122842834e+00 2.30 -2.580547113e+00 -2.580547113e+00 2.32 -3.001350291e+00 -3.001350291e+00 2.34 -3.387433497e+00 -3.387433497e+00 2.36 -3.740849085e+00 -3.740849085e+00 2.38 -4.063546263e+00 -4.063546263e+00 2.40 -4.357391623e+00 -4.357391623e+00 2.42 -4.624185614e+00 -4.624185614e+00 2.44 -4.865664763e+00 -4.865664763e+00 2.46 -5.083503942e+00 -5.083503942e+00 2.48 -5.279306378e+00 -5.279306378e+00 2.50 -5.454588503e+00 -5.454588503e+00 2.52 -5.610762993e+00 -5.610762993e+00 2.54 -5.749124887e+00 -5.749124887e+00 2.56 -5.870844291e+00 -5.870844291e+00 2.58 -5.976967031e+00 -5.976967031e+00 2.60 -6.068422474e+00 -6.068422474e+00 2.62 -6.146034147e+00 -6.146034147e+00 2.64 -6.210548811e+00 -6.210548811e+00 2.66 -6.262690968e+00 -6.262690968e+00 2.68 -6.303051391e+00 -6.303051391e+00 2.70 -6.332159584e+00 -6.332159584e+00 2.72 -6.350322660e+00 -6.350322660e+00 2.74 -6.358169505e+00 -6.358169505e+00 2.76 -6.356503787e+00 -6.356503787e+00 2.78 -6.346110828e+00 -6.346110828e+00 2.80 -6.327763447e+00 -6.327763447e+00 2.82 -6.302177246e+00 -6.302177246e+00 2.84 -6.269942846e+00 -6.269942846e+00 2.86 -6.231664696e+00 -6.231664696e+00 2.88 -6.187676828e+00 -6.187676828e+00 2.90 -6.137930836e+00 -6.137930836e+00 2.92 -6.082430232e+00 -6.082430232e+00 2.94 -6.021273341e+00 -6.021273341e+00 2.96 -5.954644323e+00 -5.954644323e+00 2.98 -5.882801249e+00 -5.882801249e+00 3.00 -5.806060233e+00 -5.806060233e+00 3.02 -5.724770187e+00 -5.724770187e+00 3.04 -5.639246694e+00 -5.639246694e+00 3.06 -5.549786210e+00 -5.549786210e+00 3.08 -5.456662218e+00 -5.456662218e+00 3.10 -5.360117738e+00 -5.360117738e+00 3.12 -5.260350777e+00 -5.260350777e+00 3.14 -5.157524858e+00 -5.157524858e+00 3.16 -5.051754148e+00 -5.051754148e+00 3.18 -4.943127642e+00 -4.943127642e+00 3.20 -4.831719139e+00 -4.831719139e+00 3.22 -4.717603259e+00 -4.717603259e+00 3.24 -4.600872435e+00 -4.600872435e+00 3.26 -4.481653528e+00 -4.481653528e+00 3.28 -4.360122422e+00 -4.360122422e+00 3.30 -4.236514876e+00 -4.236514876e+00 3.32 -4.111132350e+00 -4.111132350e+00 3.34 -3.984342451e+00 -3.984342451e+00 3.36 -3.856574719e+00 -3.856574719e+00 3.38 -3.728313108e+00 -3.728313108e+00 3.40 -3.600085279e+00 -3.600085279e+00 3.42 -3.472455629e+00 -3.472455629e+00 3.44 -3.346005068e+00 -3.346005068e+00 3.46 -3.221320198e+00 -3.221320198e+00 3.48 -3.098973862e+00 -3.098973862e+00 3.50 -2.979505444e+00 -2.979505444e+00 3.52 -2.863401309e+00 -2.863401309e+00 3.54 -2.751077420e+00 -2.751077420e+00 3.56 -2.642866075e+00 -2.642866075e+00 3.58 -2.539008056e+00 -2.539008056e+00 3.60 -2.439650713e+00 -2.439650713e+00 3.62 -2.344851670e+00 -2.344851670e+00 3.64 -2.254587189e+00 -2.254587189e+00 3.66 -2.168763904e+00 -2.168763904e+00 3.68 -2.087232512e+00 -2.087232512e+00 3.70 -2.009802138e+00 -2.009802138e+00 3.72 -1.936254330e+00 -1.936254330e+00 3.74 -1.866355933e+00 -1.866355933e+00 3.76 -1.799870324e+00 -1.799870324e+00 3.78 -1.736566706e+00 -1.736566706e+00 3.80 -1.676227257e+00 -1.676227257e+00 3.82 -1.618652011e+00 -1.618652011e+00 3.84 -1.563661414e+00 -1.563661414e+00 3.86 -1.511096618e+00 -1.511096618e+00 3.88 -1.460817751e+00 -1.460817751e+00 3.90 -1.412700641e+00 -1.412700641e+00 3.92 -1.366631257e+00 -1.366631257e+00 3.94 -1.322507401e+00 -1.322507401e+00 3.96 -1.280225813e+00 -1.280225813e+00 3.98 -1.239686374e+00 -1.239686374e+00 4.00 -1.200789294e+00 -1.200789294e+00 4.02 -1.163435259e+00 -1.163435259e+00 4.04 -1.127526450e+00 -1.127526450e+00 4.06 -1.092967993e+00 -1.092967993e+00 4.08 -1.059669491e+00 -1.059669491e+00 4.10 -1.027541061e+00 -1.027541061e+00 4.12 -9.965166256e-01 -9.965166256e-01 4.14 -9.665194709e-01 -9.665194709e-01 4.16 -9.374873611e-01 -9.374873611e-01 4.18 -9.093660403e-01 -9.093660403e-01 4.20 -8.821090805e-01 -8.821090805e-01 4.22 -8.556775046e-01 -8.556775046e-01 4.24 -8.300391854e-01 -8.300391854e-01 4.26 -8.051680133e-01 -8.051680133e-01 4.28 -7.810428402e-01 -7.810428402e-01 4.30 -7.576462396e-01 -7.576462396e-01 4.32 -7.349631634e-01 -7.349631634e-01 4.34 -7.129796121e-01 -7.129796121e-01 4.36 -6.916814470e-01 -6.916814470e-01 4.38 -6.710533189e-01 -6.710533189e-01 4.40 -6.510782544e-01 -6.510782544e-01 4.42 -6.317376872e-01 -6.317376872e-01 4.44 -6.130111352e-01 -6.130111352e-01 4.46 -5.948765306e-01 -5.948765306e-01 4.48 -5.773106909e-01 -5.773106909e-01 4.50 -5.602898295e-01 -5.602898295e-01 4.52 -5.437900346e-01 -5.437900346e-01 4.54 -5.277876702e-01 -5.277876702e-01 4.56 -5.122596804e-01 -5.122596804e-01 4.58 -4.971837989e-01 -4.971837989e-01 4.60 -4.825386758e-01 -4.825386758e-01 4.62 -4.683039438e-01 -4.683039438e-01 4.64 -4.544602460e-01 -4.544602460e-01 4.66 -4.409892459e-01 -4.409892459e-01 4.68 -4.278736380e-01 -4.278736380e-01 4.70 -4.150971752e-01 -4.150971752e-01 4.72 -4.026447211e-01 -4.026447211e-01 4.74 -3.905023349e-01 -3.905023349e-01 4.76 -3.786573903e-01 -3.786573903e-01 4.78 -3.670987216e-01 -3.670987216e-01 4.80 -3.558136117e-01 -3.558136117e-01 4.82 -3.448012040e-01 -3.448012040e-01 4.84 -3.340518609e-01 -3.340518609e-01 4.86 -3.235617839e-01 -3.235617839e-01 4.88 -3.133291760e-01 -3.133291760e-01 4.90 -3.033541213e-01 -3.033541213e-01 4.92 -2.936383279e-01 -2.936383279e-01 4.94 -2.841847310e-01 -2.841847310e-01 4.96 -2.749969715e-01 -2.749969715e-01 4.98 -2.660787882e-01 -2.660787882e-01 5.00 -2.574333800e-01 -2.574333800e-01 5.02 -2.490628023e-01 -2.490628023e-01 5.04 -2.409674630e-01 -2.409674630e-01 5.06 -2.331457689e-01 -2.331457689e-01 5.08 -2.255939503e-01 -2.255939503e-01 5.10 -2.183060696e-01 -2.183060696e-01 5.12 -2.112741931e-01 -2.112741931e-01 5.14 -2.044886914e-01 -2.044886914e-01 5.16 -1.979386218e-01 -1.979386218e-01 5.18 -1.916121508e-01 -1.916121508e-01 5.20 -1.854969785e-01 -1.854969785e-01 5.22 -1.795807362e-01 -1.795807362e-01 5.24 -1.738513406e-01 -1.738513406e-01 5.26 -1.682972977e-01 -1.682972977e-01 5.28 -1.629079519e-01 -1.629079519e-01 5.30 -1.576736848e-01 -1.576736848e-01 5.32 -1.525860648e-01 -1.525860648e-01 5.34 -1.476379513e-01 -1.476379513e-01 5.36 -1.428235513e-01 -1.428235513e-01 5.38 -1.381384283e-01 -1.381384283e-01 5.40 -1.335794598e-01 -1.335794598e-01 5.42 -1.291447399e-01 -1.291447399e-01 5.44 -1.248334262e-01 -1.248334262e-01 5.46 -1.206455357e-01 -1.206455357e-01 5.48 -1.165816939e-01 -1.165816939e-01 5.50 -1.126428559e-01 -1.126428559e-01 5.52 -1.088300145e-01 -1.088300145e-01 5.54 -1.051439187e-01 -1.051439187e-01 5.56 -1.015848240e-01 -1.015848240e-01 5.58 -9.815229300e-02 -9.815229300e-02 5.60 -9.484498101e-02 -9.484498101e-02 5.62 -9.166068449e-02 -9.166068449e-02 5.64 -8.859641267e-02 -8.859641267e-02 5.66 -8.564830458e-02 -8.564830458e-02 5.68 -8.281173366e-02 -8.281173366e-02 5.70 -8.008144151e-02 -8.008144151e-02 5.72 -7.745168463e-02 -7.745168463e-02 5.74 -7.491638097e-02 -7.491638097e-02 5.76 -7.246924590e-02 -7.246924590e-02 5.78 -7.010391107e-02 -7.010391107e-02 5.80 -6.781402281e-02 -6.781402281e-02 5.82 -6.559331965e-02 -6.559331965e-02 5.84 -6.343569039e-02 -6.343569039e-02 5.86 -6.133521574e-02 -6.133521574e-02 5.88 -5.928619711e-02 -5.928619711e-02 5.90 -5.728317655e-02 -5.728317655e-02 5.92 -5.532095166e-02 -5.532095166e-02 5.94 -5.339458916e-02 -5.339458916e-02 5.96 -5.149944007e-02 -5.149944007e-02 5.98 -4.963115937e-02 -4.963115937e-02 6.00 -4.778573358e-02 -4.778573358e-02