# 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 = CoMo2W # 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 2.990042547e+02 2.990042547e+02 1.30 2.758247930e+02 2.758247930e+02 1.32 2.544649794e+02 2.544649794e+02 1.34 2.347630449e+02 2.347630449e+02 1.36 2.165671034e+02 2.165671034e+02 1.38 1.997373270e+02 1.997373270e+02 1.40 1.841488241e+02 1.841488241e+02 1.42 1.696932088e+02 1.696932088e+02 1.44 1.562777684e+02 1.562777684e+02 1.46 1.438228923e+02 1.438228923e+02 1.48 1.322592144e+02 1.322592144e+02 1.50 1.215253571e+02 1.215253571e+02 1.52 1.115663729e+02 1.115663729e+02 1.54 1.023326827e+02 1.023326827e+02 1.56 9.377924290e+01 9.377924290e+01 1.58 8.586466191e+01 8.586466191e+01 1.60 7.855015045e+01 7.855015045e+01 1.62 7.179843618e+01 7.179843618e+01 1.64 6.557289053e+01 6.557289053e+01 1.66 5.983706474e+01 5.983706474e+01 1.68 5.455468175e+01 5.455468175e+01 1.70 4.968995490e+01 4.968995490e+01 1.72 4.520801778e+01 4.520801778e+01 1.74 4.107532561e+01 4.107532561e+01 1.76 3.726003453e+01 3.726003453e+01 1.78 3.373242709e+01 3.373242709e+01 1.80 3.046539937e+01 3.046539937e+01 1.82 2.743532676e+01 2.743532676e+01 1.84 2.462216761e+01 2.462216761e+01 1.86 2.201267059e+01 2.201267059e+01 1.88 1.959503350e+01 1.959503350e+01 1.90 1.735689292e+01 1.735689292e+01 1.92 1.528750035e+01 1.528750035e+01 1.94 1.337717337e+01 1.337717337e+01 1.96 1.161678130e+01 1.161678130e+01 1.98 9.997434198e+00 9.997434198e+00 2.00 8.510329019e+00 8.510329019e+00 2.02 7.146686046e+00 7.146686046e+00 2.04 5.897726338e+00 5.897726338e+00 2.06 4.754673570e+00 4.754673570e+00 2.08 3.708791892e+00 3.708791892e+00 2.10 2.751479921e+00 2.751479921e+00 2.12 1.874426476e+00 1.874426476e+00 2.14 1.069807883e+00 1.069807883e+00 2.16 3.304852677e-01 3.304852677e-01 2.18 -3.498459386e-01 -3.498459386e-01 2.20 -9.765898035e-01 -9.765898035e-01 2.22 -1.554277383e+00 -1.554277383e+00 2.24 -2.086671511e+00 -2.086671511e+00 2.26 -2.576915689e+00 -2.576915689e+00 2.28 -3.027691658e+00 -3.027691658e+00 2.30 -3.441359090e+00 -3.441359090e+00 2.32 -3.820063667e+00 -3.820063667e+00 2.34 -4.165810871e+00 -4.165810871e+00 2.36 -4.480509865e+00 -4.480509865e+00 2.38 -4.765994950e+00 -4.765994950e+00 2.40 -5.024032355e+00 -5.024032355e+00 2.42 -5.256318751e+00 -5.256318751e+00 2.44 -5.464455264e+00 -5.464455264e+00 2.46 -5.649921513e+00 -5.649921513e+00 2.48 -5.814228880e+00 -5.814228880e+00 2.50 -5.958794152e+00 -5.958794152e+00 2.52 -6.084922646e+00 -6.084922646e+00 2.54 -6.193809513e+00 -6.193809513e+00 2.56 -6.286545464e+00 -6.286545464e+00 2.58 -6.364125278e+00 -6.364125278e+00 2.60 -6.427455989e+00 -6.427455989e+00 2.62 -6.477307551e+00 -6.477307551e+00 2.64 -6.513964606e+00 -6.513964606e+00 2.66 -6.538014694e+00 -6.538014694e+00 2.68 -6.550185801e+00 -6.550185801e+00 2.70 -6.551162785e+00 -6.551162785e+00 2.72 -6.541604375e+00 -6.541604375e+00 2.74 -6.522157717e+00 -6.522157717e+00 2.76 -6.493503665e+00 -6.493503665e+00 2.78 -6.456269141e+00 -6.456269141e+00 2.80 -6.410648095e+00 -6.410648095e+00 2.82 -6.356589028e+00 -6.356589028e+00 2.84 -6.294127697e+00 -6.294127697e+00 2.86 -6.223388504e+00 -6.223388504e+00 2.88 -6.144580431e+00 -6.144580431e+00 2.90 -6.057978798e+00 -6.057978798e+00 2.92 -5.963840683e+00 -5.963840683e+00 2.94 -5.862483811e+00 -5.862483811e+00 2.96 -5.754325355e+00 -5.754325355e+00 2.98 -5.639869594e+00 -5.639869594e+00 3.00 -5.519687501e+00 -5.519687501e+00 3.02 -5.394388616e+00 -5.394388616e+00 3.04 -5.264587366e+00 -5.264587366e+00 3.06 -5.130867594e+00 -5.130867594e+00 3.08 -4.993749940e+00 -4.993749940e+00 3.10 -4.853666639e+00 -4.853666639e+00 3.12 -4.710947115e+00 -4.710947115e+00 3.14 -4.565815823e+00 -4.565815823e+00 3.16 -4.418401673e+00 -4.418401673e+00 3.18 -4.268756846e+00 -4.268756846e+00 3.20 -4.116882105e+00 -4.116882105e+00 3.22 -3.962755820e+00 -3.962755820e+00 3.24 -3.806364475e+00 -3.806364475e+00 3.26 -3.647732989e+00 -3.647732989e+00 3.28 -3.486953582e+00 -3.486953582e+00 3.30 -3.324211967e+00 -3.324211967e+00 3.32 -3.159809493e+00 -3.159809493e+00 3.34 -2.994179573e+00 -2.994179573e+00 3.36 -2.827896527e+00 -2.827896527e+00 3.38 -2.661675023e+00 -2.661675023e+00 3.40 -2.496358694e+00 -2.496358694e+00 3.42 -2.332897389e+00 -2.332897389e+00 3.44 -2.172313694e+00 -2.172313694e+00 3.46 -2.015660771e+00 -2.015660771e+00 3.48 -1.863974897e+00 -1.863974897e+00 3.50 -1.718226978e+00 -1.718226978e+00 3.52 -1.579277689e+00 -1.579277689e+00 3.54 -1.447840441e+00 -1.447840441e+00 3.56 -1.324455360e+00 -1.324455360e+00 3.58 -1.209475930e+00 -1.209475930e+00 3.60 -1.103068361e+00 -1.103068361e+00 3.62 -1.005222282e+00 -1.005222282e+00 3.64 -9.157703097e-01 -9.157703097e-01 3.66 -8.344135469e-01 -8.344135469e-01 3.68 -7.607499980e-01 -7.607499980e-01 3.70 -6.943032526e-01 -6.943032526e-01 3.72 -6.345493725e-01 -6.345493725e-01 3.74 -5.809405836e-01 -5.809405836e-01 3.76 -5.329250125e-01 -5.329250125e-01 3.78 -4.899622416e-01 -4.899622416e-01 3.80 -4.515348472e-01 -4.515348472e-01 3.82 -4.171563377e-01 -4.171563377e-01 3.84 -3.863760427e-01 -3.863760427e-01 3.86 -3.587815422e-01 -3.587815422e-01 3.88 -3.339992037e-01 -3.339992037e-01 3.90 -3.116933325e-01 -3.116933325e-01 3.92 -2.915643671e-01 -2.915643671e-01 3.94 -2.733464670e-01 -2.733464670e-01 3.96 -2.568047648e-01 -2.568047648e-01 3.98 -2.417324922e-01 -2.417324922e-01 4.00 -2.279481249e-01 -2.279481249e-01 4.02 -2.152926593e-01 -2.152926593e-01 4.04 -2.036270880e-01 -2.036270880e-01 4.06 -1.928300560e-01 -1.928300560e-01 4.08 -1.827958692e-01 -1.827958692e-01 4.10 -1.734330671e-01 -1.734330671e-01 4.12 -1.646626480e-01 -1.646626480e-01 4.14 -1.564168774e-01 -1.564168774e-01 4.16 -1.486383197e-01 -1.486383197e-01 4.18 -1.412790167e-01 -1.412790167e-01 4.20 -1.342997477e-01 -1.342997477e-01 4.22 -1.276692937e-01 -1.276692937e-01 4.24 -1.213636209e-01 -1.213636209e-01 4.26 -1.153649195e-01 -1.153649195e-01 4.28 -1.096604599e-01 -1.096604599e-01 4.30 -1.042412820e-01 -1.042412820e-01 4.32 -9.910078689e-02 -9.910078689e-02 4.34 -9.423334389e-02 -9.423334389e-02 4.36 -8.963304776e-02 -8.963304776e-02 4.38 -8.529257088e-02 -8.529257088e-02 4.40 -8.120290987e-02 -8.120290987e-02 4.42 -7.735312293e-02 -7.735312293e-02 4.44 -7.373018928e-02 -7.373018928e-02 4.46 -7.031936982e-02 -7.031936982e-02 4.48 -6.710470911e-02 -6.710470911e-02 4.50 -6.406957900e-02 -6.406957900e-02 4.52 -6.119718667e-02 -6.119718667e-02 4.54 -5.847099893e-02 -5.847099893e-02 4.56 -5.587506251e-02 -5.587506251e-02 4.58 -5.339422135e-02 -5.339422135e-02 4.60 -5.101424559e-02 -5.101424559e-02 4.62 -4.872189692e-02 -4.872189692e-02 4.64 -4.650495118e-02 -4.650495118e-02 4.66 -4.435220189e-02 -4.435220189e-02 4.68 -4.225346535e-02 -4.225346535e-02 4.70 -4.019960221e-02 -4.019960221e-02 4.72 -3.818256667e-02 -3.818256667e-02 4.74 -3.619548947e-02 -3.619548947e-02 4.76 -3.423279599e-02 -3.423279599e-02 4.78 -3.229035421e-02 -3.229035421e-02 4.80 -3.036563715e-02 -3.036563715e-02 4.82 -2.845788992e-02 -2.845788992e-02 4.84 -2.656826772e-02 -2.656826772e-02 4.86 -2.469991643e-02 -2.469991643e-02 4.88 -2.285796254e-02 -2.285796254e-02 4.90 -2.104938316e-02 -2.104938316e-02 4.92 -1.928273652e-02 -1.928273652e-02 4.94 -1.756774933e-02 -1.756774933e-02 4.96 -1.591459540e-02 -1.591459540e-02 4.98 -1.433352596e-02 -1.433352596e-02 5.00 -1.283440582e-02 -1.283440582e-02 5.02 -1.142580866e-02 -1.142580866e-02 5.04 -1.011450416e-02 -1.011450416e-02 5.06 -8.905103158e-03 -8.905103158e-03 5.08 -7.799888308e-03 -7.799888308e-03 5.10 -6.798830947e-03 -6.798830947e-03 5.12 -5.899771180e-03 -5.899771180e-03 5.14 -5.098720840e-03 -5.098720840e-03 5.16 -4.390241266e-03 -4.390241266e-03 5.18 -3.767848691e-03 -3.767848691e-03 5.20 -3.224407537e-03 -3.224407537e-03 5.22 -2.752482812e-03 -2.752482812e-03 5.24 -2.344634516e-03 -2.344634516e-03 5.26 -1.993647272e-03 -1.993647272e-03 5.28 -1.692696378e-03 -1.692696378e-03 5.30 -1.435456657e-03 -1.435456657e-03 5.32 -1.216163298e-03 -1.216163298e-03 5.34 -1.029634785e-03 -1.029634785e-03 5.36 -8.712675874e-04 -8.712675874e-04 5.38 -7.370111809e-04 -7.370111809e-04 5.40 -6.233304397e-04 -6.233304397e-04 5.42 -5.271609571e-04 -5.271609571e-04 5.44 -4.458614118e-04 -4.458614118e-04 5.46 -3.771659080e-04 -3.771659080e-04 5.48 -3.191382408e-04 -3.191382408e-04 5.50 -2.701292909e-04 -2.701292909e-04 5.52 -2.287381975e-04 -2.287381975e-04 5.54 -1.937775629e-04 -1.937775629e-04 5.56 -1.642426797e-04 -1.642426797e-04 5.58 -1.392845959e-04 -1.392845959e-04 5.60 -1.181867370e-04 -1.181867370e-04 5.62 -1.003447522e-04 -1.003447522e-04 5.64 -8.524923408e-05 -8.524923408e-05 5.66 -7.247096874e-05 -7.247096874e-05 5.68 -6.164839082e-05 -6.164839082e-05 5.70 -5.247694533e-05 -5.247694533e-05 5.72 -4.470008746e-05 -4.470008746e-05 5.74 -3.810168276e-05 -3.810168276e-05 5.76 -3.249959912e-05 -3.249959912e-05 5.78 -2.774031006e-05 -2.774031006e-05 5.80 -2.369435376e-05 -2.369435376e-05 5.82 -2.025251437e-05 -2.025251437e-05 5.84 -1.732261235e-05 -1.732261235e-05 5.86 -1.482680721e-05 -1.482680721e-05 5.88 -1.269933128e-05 -1.269933128e-05 5.90 -1.088458555e-05 -1.088458555e-05 5.92 -9.335539575e-06 -9.335539575e-06 5.94 -8.012386573e-06 -8.012386573e-06 5.96 -6.881412802e-06 -6.881412802e-06 5.98 -5.914046667e-06 -5.914046667e-06 6.00 -5.086058707e-06 -5.086058707e-06