# 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 = Ag2MoNi # 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 2.376003605e+02 2.376003605e+02 1.30 2.195866776e+02 2.195866776e+02 1.32 2.029492377e+02 2.029492377e+02 1.34 1.875731236e+02 1.875731236e+02 1.36 1.733530439e+02 1.733530439e+02 1.38 1.601934983e+02 1.601934983e+02 1.40 1.480083656e+02 1.480083656e+02 1.42 1.367200826e+02 1.367200826e+02 1.44 1.262585362e+02 1.262585362e+02 1.46 1.165598502e+02 1.165598502e+02 1.48 1.075655016e+02 1.075655016e+02 1.50 9.922197790e+01 9.922197790e+01 1.52 9.148068080e+01 9.148068080e+01 1.54 8.429764536e+01 8.429764536e+01 1.56 7.763293895e+01 7.763293895e+01 1.58 7.144992772e+01 7.144992772e+01 1.60 6.571466019e+01 6.571466019e+01 1.62 6.039546488e+01 6.039546488e+01 1.64 5.546268409e+01 5.546268409e+01 1.66 5.088928376e+01 5.088928376e+01 1.68 4.665108326e+01 4.665108326e+01 1.70 4.272340144e+01 4.272340144e+01 1.72 3.908541665e+01 3.908541665e+01 1.74 3.571597098e+01 3.571597098e+01 1.76 3.259463656e+01 3.259463656e+01 1.78 2.970256987e+01 2.970256987e+01 1.80 2.702255301e+01 2.702255301e+01 1.82 2.453902187e+01 2.453902187e+01 1.84 2.223801522e+01 2.223801522e+01 1.86 2.010701042e+01 2.010701042e+01 1.88 1.813466670e+01 1.813466670e+01 1.90 1.631053662e+01 1.631053662e+01 1.92 1.462481008e+01 1.462481008e+01 1.94 1.306813743e+01 1.306813743e+01 1.96 1.163154920e+01 1.163154920e+01 1.98 1.030645905e+01 1.030645905e+01 2.00 9.084710980e+00 9.084710980e+00 2.02 7.958626934e+00 7.958626934e+00 2.04 6.921024410e+00 6.921024410e+00 2.06 5.965197335e+00 5.965197335e+00 2.08 5.084874380e+00 5.084874380e+00 2.10 4.274179498e+00 4.274179498e+00 2.12 3.527614621e+00 3.527614621e+00 2.14 2.840068395e+00 2.840068395e+00 2.16 2.206839148e+00 2.206839148e+00 2.18 1.623653689e+00 1.623653689e+00 2.20 1.086667384e+00 1.086667384e+00 2.22 5.924405536e-01 5.924405536e-01 2.24 1.378957180e-01 1.378957180e-01 2.26 -2.797349022e-01 -2.797349022e-01 2.28 -6.629628601e-01 -6.629628601e-01 2.30 -1.014092540e+00 -1.014092540e+00 2.32 -1.335262490e+00 -1.335262490e+00 2.34 -1.628432393e+00 -1.628432393e+00 2.36 -1.895371985e+00 -1.895371985e+00 2.38 -2.137995435e+00 -2.137995435e+00 2.40 -2.358081548e+00 -2.358081548e+00 2.42 -2.557252336e+00 -2.557252336e+00 2.44 -2.736989005e+00 -2.736989005e+00 2.46 -2.898652708e+00 -2.898652708e+00 2.48 -3.043506478e+00 -3.043506478e+00 2.50 -3.172690907e+00 -3.172690907e+00 2.52 -3.287103000e+00 -3.287103000e+00 2.54 -3.387581847e+00 -3.387581847e+00 2.56 -3.474968831e+00 -3.474968831e+00 2.58 -3.550107088e+00 -3.550107088e+00 2.60 -3.613836854e+00 -3.613836854e+00 2.62 -3.666987448e+00 -3.666987448e+00 2.64 -3.710365086e+00 -3.710365086e+00 2.66 -3.744735671e+00 -3.744735671e+00 2.68 -3.770712420e+00 -3.770712420e+00 2.70 -3.788742911e+00 -3.788742911e+00 2.72 -3.799247533e+00 -3.799247533e+00 2.74 -3.802628538e+00 -3.802628538e+00 2.76 -3.799271636e+00 -3.799271636e+00 2.78 -3.789547233e+00 -3.789547233e+00 2.80 -3.773810588e+00 -3.773810588e+00 2.82 -3.752401925e+00 -3.752401925e+00 2.84 -3.725648210e+00 -3.725648210e+00 2.86 -3.693867746e+00 -3.693867746e+00 2.88 -3.657524140e+00 -3.657524140e+00 2.90 -3.616946489e+00 -3.616946489e+00 2.92 -3.572282615e+00 -3.572282615e+00 2.94 -3.523736490e+00 -3.523736490e+00 2.96 -3.471565354e+00 -3.471565354e+00 2.98 -3.416073560e+00 -3.416073560e+00 3.00 -3.357602982e+00 -3.357602982e+00 3.02 -3.296520281e+00 -3.296520281e+00 3.04 -3.233205809e+00 -3.233205809e+00 3.06 -3.168048711e+00 -3.168048711e+00 3.08 -3.101415867e+00 -3.101415867e+00 3.10 -3.033633274e+00 -3.033633274e+00 3.12 -2.964975501e+00 -2.964975501e+00 3.14 -2.895659834e+00 -2.895659834e+00 3.16 -2.825845719e+00 -2.825845719e+00 3.18 -2.755639367e+00 -2.755639367e+00 3.20 -2.685102557e+00 -2.685102557e+00 3.22 -2.614264297e+00 -2.614264297e+00 3.24 -2.543133882e+00 -2.543133882e+00 3.26 -2.471714101e+00 -2.471714101e+00 3.28 -2.400013646e+00 -2.400013646e+00 3.30 -2.328058072e+00 -2.328058072e+00 3.32 -2.255898815e+00 -2.255898815e+00 3.34 -2.183619918e+00 -2.183619918e+00 3.36 -2.111342060e+00 -2.111342060e+00 3.38 -2.039223620e+00 -2.039223620e+00 3.40 -1.967458534e+00 -1.967458534e+00 3.42 -1.896270978e+00 -1.896270978e+00 3.44 -1.825907144e+00 -1.825907144e+00 3.46 -1.756624744e+00 -1.756624744e+00 3.48 -1.688681142e+00 -1.688681142e+00 3.50 -1.622321242e+00 -1.622321242e+00 3.52 -1.557766280e+00 -1.557766280e+00 3.54 -1.495204533e+00 -1.495204533e+00 3.56 -1.434784705e+00 -1.434784705e+00 3.58 -1.376612338e+00 -1.376612338e+00 3.60 -1.320749245e+00 -1.320749245e+00 3.62 -1.267215629e+00 -1.267215629e+00 3.64 -1.215994328e+00 -1.215994328e+00 3.66 -1.167036527e+00 -1.167036527e+00 3.68 -1.120268308e+00 -1.120268308e+00 3.70 -1.075597453e+00 -1.075597453e+00 3.72 -1.032920064e+00 -1.032920064e+00 3.74 -9.921266651e-01 -9.921266651e-01 3.76 -9.531075548e-01 -9.531075548e-01 3.78 -9.157572293e-01 -9.157572293e-01 3.80 -8.799777537e-01 -8.799777537e-01 3.82 -8.456809741e-01 -8.456809741e-01 3.84 -8.127895101e-01 -8.127895101e-01 3.86 -7.812365391e-01 -7.812365391e-01 3.88 -7.509644854e-01 -7.509644854e-01 3.90 -7.219228566e-01 -7.219228566e-01 3.92 -6.940655846e-01 -6.940655846e-01 3.94 -6.673482975e-01 -6.673482975e-01 3.96 -6.417259238e-01 -6.417259238e-01 3.98 -6.171509598e-01 -6.171509598e-01 4.00 -5.935725525e-01 -5.935725525e-01 4.02 -5.709364027e-01 -5.709364027e-01 4.04 -5.491853507e-01 -5.491853507e-01 4.06 -5.282604370e-01 -5.282604370e-01 4.08 -5.081022099e-01 -5.081022099e-01 4.10 -4.886520904e-01 -4.886520904e-01 4.12 -4.698536723e-01 -4.698536723e-01 4.14 -4.516538497e-01 -4.516538497e-01 4.16 -4.340037928e-01 -4.340037928e-01 4.18 -4.168597345e-01 -4.168597345e-01 4.20 -4.001835939e-01 -4.001835939e-01 4.22 -3.839434390e-01 -3.839434390e-01 4.24 -3.681137862e-01 -3.681137862e-01 4.26 -3.526757203e-01 -3.526757203e-01 4.28 -3.376168175e-01 -3.376168175e-01 4.30 -3.229308557e-01 -3.229308557e-01 4.32 -3.086173087e-01 -3.086173087e-01 4.34 -2.946806420e-01 -2.946806420e-01 4.36 -2.811294414e-01 -2.811294414e-01 4.38 -2.679754217e-01 -2.679754217e-01 4.40 -2.552323611e-01 -2.552323611e-01 4.42 -2.429150031e-01 -2.429150031e-01 4.44 -2.310379524e-01 -2.310379524e-01 4.46 -2.196145836e-01 -2.196145836e-01 4.48 -2.086559849e-01 -2.086559849e-01 4.50 -1.981699663e-01 -1.981699663e-01 4.52 -1.881601828e-01 -1.881601828e-01 4.54 -1.786254401e-01 -1.786254401e-01 4.56 -1.695592493e-01 -1.695592493e-01 4.58 -1.609496890e-01 -1.609496890e-01 4.60 -1.527795942e-01 -1.527795942e-01 4.62 -1.450270676e-01 -1.450270676e-01 4.64 -1.376662599e-01 -1.376662599e-01 4.66 -1.306683198e-01 -1.306683198e-01 4.68 -1.240019590e-01 -1.240019590e-01 4.70 -1.176358461e-01 -1.176358461e-01 4.72 -1.115390551e-01 -1.115390551e-01 4.74 -1.056816446e-01 -1.056816446e-01 4.76 -1.000355813e-01 -1.000355813e-01 4.78 -9.457550233e-02 -9.457550233e-02 4.80 -8.927932269e-02 -8.927932269e-02 4.82 -8.412870694e-02 -8.412870694e-02 4.84 -7.910939563e-02 -7.910939563e-02 4.86 -7.421141303e-02 -7.421141303e-02 4.88 -6.942913247e-02 -6.942913247e-02 4.90 -6.476119714e-02 -6.476119714e-02 4.92 -6.021028309e-02 -6.021028309e-02 4.94 -5.578269573e-02 -5.578269573e-02 4.96 -5.148779983e-02 -5.148779983e-02 4.98 -4.733729644e-02 -4.733729644e-02 5.00 -4.334437563e-02 -4.334437563e-02 5.02 -3.952279605e-02 -3.952279605e-02 5.04 -3.588594470e-02 -3.588594470e-02 5.06 -3.244594489e-02 -3.244594489e-02 5.08 -2.921288113e-02 -2.921288113e-02 5.10 -2.619418935e-02 -2.619418935e-02 5.12 -2.339425361e-02 -2.339425361e-02 5.14 -2.081423074e-02 -2.081423074e-02 5.16 -1.845208105e-02 -1.845208105e-02 5.18 -1.630278374e-02 -1.630278374e-02 5.20 -1.435853660e-02 -1.435853660e-02 5.22 -1.260928490e-02 -1.260928490e-02 5.24 -1.104382276e-02 -1.104382276e-02 5.26 -9.649698736e-03 -9.649698736e-03 5.28 -8.413703172e-03 -8.413703172e-03 5.30 -7.322325654e-03 -7.322325654e-03 5.32 -6.362137767e-03 -6.362137767e-03 5.34 -5.520096652e-03 -5.520096652e-03 5.36 -4.783771851e-03 -4.783771851e-03 5.38 -4.141502528e-03 -4.141502528e-03 5.40 -3.582494723e-03 -3.582494723e-03 5.42 -3.096869326e-03 -3.096869326e-03 5.44 -2.675671333e-03 -2.675671333e-03 5.46 -2.310850057e-03 -2.310850057e-03 5.48 -1.995218739e-03 -1.995218739e-03 5.50 -1.722400534e-03 -1.722400534e-03 5.52 -1.486766498e-03 -1.486766498e-03 5.54 -1.283369869e-03 -1.283369869e-03 5.56 -1.107879843e-03 -1.107879843e-03 5.58 -9.565171170e-04 -9.565171170e-04 5.60 -8.259926982e-04 -8.259926982e-04 5.62 -7.134509434e-04 -7.134509434e-04 5.64 -6.164173058e-04 -6.164173058e-04 5.66 -5.327509820e-04 -5.327509820e-04 5.68 -4.606024106e-04 -4.606024106e-04 5.70 -3.983754278e-04 -3.983754278e-04 5.72 -3.446937898e-04 -3.446937898e-04 5.74 -2.983717199e-04 -2.983717199e-04 5.76 -2.583881117e-04 -2.583881117e-04 5.78 -2.238640218e-04 -2.238640218e-04 5.80 -1.940430945e-04 -1.940430945e-04 5.82 -1.682745806e-04 -1.682745806e-04 5.84 -1.459986390e-04 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