# 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 = AgCo2Ni # 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 1.561409593e+02 1.561409593e+02 1.30 1.434499676e+02 1.434499676e+02 1.32 1.317684476e+02 1.317684476e+02 1.34 1.210102857e+02 1.210102857e+02 1.36 1.110979664e+02 1.110979664e+02 1.38 1.019623976e+02 1.019623976e+02 1.40 9.354158210e+01 9.354158210e+01 1.42 8.577902715e+01 8.577902715e+01 1.44 7.862234501e+01 7.862234501e+01 1.46 7.202247993e+01 7.202247993e+01 1.48 6.593383024e+01 6.593383024e+01 1.50 6.031475834e+01 6.031475834e+01 1.52 5.512771352e+01 5.512771352e+01 1.54 5.033882825e+01 5.033882825e+01 1.56 4.591733221e+01 4.591733221e+01 1.58 4.183502429e+01 4.183502429e+01 1.60 3.806587795e+01 3.806587795e+01 1.62 3.458673952e+01 3.458673952e+01 1.64 3.137790836e+01 3.137790836e+01 1.66 2.841894740e+01 2.841894740e+01 1.68 2.569053253e+01 2.569053253e+01 1.70 2.317488770e+01 2.317488770e+01 1.72 2.085569486e+01 2.085569486e+01 1.74 1.871789222e+01 1.871789222e+01 1.76 1.674747383e+01 1.674747383e+01 1.78 1.493143816e+01 1.493143816e+01 1.80 1.325788334e+01 1.325788334e+01 1.82 1.171610350e+01 1.171610350e+01 1.84 1.029655078e+01 1.029655078e+01 1.86 8.990645283e+00 8.990645283e+00 1.88 7.790507242e+00 7.790507242e+00 1.90 6.688702996e+00 6.688702996e+00 1.92 5.678071440e+00 5.678071440e+00 1.94 4.751664775e+00 4.751664775e+00 1.96 3.902799016e+00 3.902799016e+00 1.98 3.125169831e+00 3.125169831e+00 2.00 2.412971200e+00 2.412971200e+00 2.02 1.760966615e+00 1.760966615e+00 2.04 1.164489664e+00 1.164489664e+00 2.06 6.193812511e-01 6.193812511e-01 2.08 1.218944588e-01 1.218944588e-01 2.10 -3.313982094e-01 -3.313982094e-01 2.12 -7.436745510e-01 -7.436745510e-01 2.14 -1.117905022e+00 -1.117905022e+00 2.16 -1.456872422e+00 -1.456872422e+00 2.18 -1.763177198e+00 -1.763177198e+00 2.20 -2.039238291e+00 -2.039238291e+00 2.22 -2.287298367e+00 -2.287298367e+00 2.24 -2.509437291e+00 -2.509437291e+00 2.26 -2.707591965e+00 -2.707591965e+00 2.28 -2.883578227e+00 -2.883578227e+00 2.30 -3.039110958e+00 -3.039110958e+00 2.32 -3.175818645e+00 -3.175818645e+00 2.34 -3.295248030e+00 -3.295248030e+00 2.36 -3.398856314e+00 -3.398856314e+00 2.38 -3.488002038e+00 -3.488002038e+00 2.40 -3.564011721e+00 -3.564011721e+00 2.42 -3.627911716e+00 -3.627911716e+00 2.44 -3.680580920e+00 -3.680580920e+00 2.46 -3.722836665e+00 -3.722836665e+00 2.48 -3.755452950e+00 -3.755452950e+00 2.50 -3.779176189e+00 -3.779176189e+00 2.52 -3.794736082e+00 -3.794736082e+00 2.54 -3.802816025e+00 -3.802816025e+00 2.56 -3.803838549e+00 -3.803838549e+00 2.58 -3.798165298e+00 -3.798165298e+00 2.60 -3.786235067e+00 -3.786235067e+00 2.62 -3.768535536e+00 -3.768535536e+00 2.64 -3.745568113e+00 -3.745568113e+00 2.66 -3.717816037e+00 -3.717816037e+00 2.68 -3.685726538e+00 -3.685726538e+00 2.70 -3.649805278e+00 -3.649805278e+00 2.72 -3.610371828e+00 -3.610371828e+00 2.74 -3.567650726e+00 -3.567650726e+00 2.76 -3.521880567e+00 -3.521880567e+00 2.78 -3.473309290e+00 -3.473309290e+00 2.80 -3.422185505e+00 -3.422185505e+00 2.82 -3.368748807e+00 -3.368748807e+00 2.84 -3.313222848e+00 -3.313222848e+00 2.86 -3.255818212e+00 -3.255818212e+00 2.88 -3.196730253e+00 -3.196730253e+00 2.90 -3.136138055e+00 -3.136138055e+00 2.92 -3.074211358e+00 -3.074211358e+00 2.94 -3.011118531e+00 -3.011118531e+00 2.96 -2.947034502e+00 -2.947034502e+00 2.98 -2.882147673e+00 -2.882147673e+00 3.00 -2.816664425e+00 -2.816664425e+00 3.02 -2.750809648e+00 -2.750809648e+00 3.04 -2.684822053e+00 -2.684822053e+00 3.06 -2.618944235e+00 -2.618944235e+00 3.08 -2.553409190e+00 -2.553409190e+00 3.10 -2.488426470e+00 -2.488426470e+00 3.12 -2.424171411e+00 -2.424171411e+00 3.14 -2.360779774e+00 -2.360779774e+00 3.16 -2.298348221e+00 -2.298348221e+00 3.18 -2.236939411e+00 -2.236939411e+00 3.20 -2.176589601e+00 -2.176589601e+00 3.22 -2.117316739e+00 -2.117316739e+00 3.24 -2.059127633e+00 -2.059127633e+00 3.26 -2.002023482e+00 -2.002023482e+00 3.28 -1.946003624e+00 -1.946003624e+00 3.30 -1.891067706e+00 -1.891067706e+00 3.32 -1.837216626e+00 -1.837216626e+00 3.34 -1.784452610e+00 -1.784452610e+00 3.36 -1.732778763e+00 -1.732778763e+00 3.38 -1.682198332e+00 -1.682198332e+00 3.40 -1.632713882e+00 -1.632713882e+00 3.42 -1.584326503e+00 -1.584326503e+00 3.44 -1.537035116e+00 -1.537035116e+00 3.46 -1.490835947e+00 -1.490835947e+00 3.48 -1.445722156e+00 -1.445722156e+00 3.50 -1.401683645e+00 -1.401683645e+00 3.52 -1.358707021e+00 -1.358707021e+00 3.54 -1.316775689e+00 -1.316775689e+00 3.56 -1.275870069e+00 -1.275870069e+00 3.58 -1.235967893e+00 -1.235967893e+00 3.60 -1.197044584e+00 -1.197044584e+00 3.62 -1.159073706e+00 -1.159073706e+00 3.64 -1.122027495e+00 -1.122027495e+00 3.66 -1.085877491e+00 -1.085877491e+00 3.68 -1.050595279e+00 -1.050595279e+00 3.70 -1.016153353e+00 -1.016153353e+00 3.72 -9.825260772e-01 -9.825260772e-01 3.74 -9.496907077e-01 -9.496907077e-01 3.76 -9.176283923e-01 -9.176283923e-01 3.78 -8.863250299e-01 -8.863250299e-01 3.80 -8.557718550e-01 -8.557718550e-01 3.82 -8.259655987e-01 -8.259655987e-01 3.84 -7.969081044e-01 -7.969081044e-01 3.86 -7.686053322e-01 -7.686053322e-01 3.88 -7.410657781e-01 -7.410657781e-01 3.90 -7.142984459e-01 -7.142984459e-01 3.92 -6.883106088e-01 -6.883106088e-01 3.94 -6.631056633e-01 -6.631056633e-01 3.96 -6.386813675e-01 -6.386813675e-01 3.98 -6.150286995e-01 -6.150286995e-01 4.00 -5.921314453e-01 -5.921314453e-01 4.02 -5.699665022e-01 -5.699665022e-01 4.04 -5.485047862e-01 -5.485047862e-01 4.06 -5.277125658e-01 -5.277125658e-01 4.08 -5.075530445e-01 -5.075530445e-01 4.10 -4.879880344e-01 -4.879880344e-01 4.12 -4.689796143e-01 -4.689796143e-01 4.14 -4.504916852e-01 -4.504916852e-01 4.16 -4.324913978e-01 -4.324913978e-01 4.18 -4.149503927e-01 -4.149503927e-01 4.20 -3.978458141e-01 -3.978458141e-01 4.22 -3.811610280e-01 -3.811610280e-01 4.24 -3.648859730e-01 -3.648859730e-01 4.26 -3.490170784e-01 -3.490170784e-01 4.28 -3.335567172e-01 -3.335567172e-01 4.30 -3.185122232e-01 -3.185122232e-01 4.32 -3.038945682e-01 -3.038945682e-01 4.34 -2.897168579e-01 -2.897168579e-01 4.36 -2.759928366e-01 -2.759928366e-01 4.38 -2.627355716e-01 -2.627355716e-01 4.40 -2.499564327e-01 -2.499564327e-01 4.42 -2.376643974e-01 -2.376643974e-01 4.44 -2.258656334e-01 -2.258656334e-01 4.46 -2.145632603e-01 -2.145632603e-01 4.48 -2.037571828e-01 -2.037571828e-01 4.50 -1.934439181e-01 -1.934439181e-01 4.52 -1.836163922e-01 -1.836163922e-01 4.54 -1.742637324e-01 -1.742637324e-01 4.56 -1.653711212e-01 -1.653711212e-01 4.58 -1.569197844e-01 -1.569197844e-01 4.60 -1.488871731e-01 -1.488871731e-01 4.62 -1.412473645e-01 -1.412473645e-01 4.64 -1.339716750e-01 -1.339716750e-01 4.66 -1.270294429e-01 -1.270294429e-01 4.68 -1.203889275e-01 -1.203889275e-01 4.70 -1.140182652e-01 -1.140182652e-01 4.72 -1.078864299e-01 -1.078864299e-01 4.74 -1.019641597e-01 -1.019641597e-01 4.76 -9.622482398e-02 -9.622482398e-02 4.78 -9.064521125e-02 -9.064521125e-02 4.80 -8.520622107e-02 -8.520622107e-02 4.82 -7.989344407e-02 -7.989344407e-02 4.84 -7.469758992e-02 -7.469758992e-02 4.86 -6.961473933e-02 -6.961473933e-02 4.88 -6.464636501e-02 -6.464636501e-02 4.90 -5.979908383e-02 -5.979908383e-02 4.92 -5.508411062e-02 -5.508411062e-02 4.94 -5.051641003e-02 -5.051641003e-02 4.96 -4.611357771e-02 -4.611357771e-02 4.98 -4.189452046e-02 -4.189452046e-02 5.00 -3.787804239e-02 -3.787804239e-02 5.02 -3.408146389e-02 -3.408146389e-02 5.04 -3.051939892e-02 -3.051939892e-02 5.06 -2.720279973e-02 -2.720279973e-02 5.08 -2.413806482e-02 -2.413806482e-02 5.10 -2.132695573e-02 -2.132695573e-02 5.12 -1.876756861e-02 -1.876756861e-02 5.14 -1.645383280e-02 -1.645383280e-02 5.16 -1.437606694e-02 -1.437606694e-02 5.18 -1.252172534e-02 -1.252172534e-02 5.20 -1.087618069e-02 -1.087618069e-02 5.22 -9.423477120e-03 -9.423477120e-03 5.24 -8.147006634e-03 -8.147006634e-03 5.26 -7.030081471e-03 -7.030081471e-03 5.28 -6.056391261e-03 -6.056391261e-03 5.30 -5.210346205e-03 -5.210346205e-03 5.32 -4.477315952e-03 -4.477315952e-03 5.34 -3.843778510e-03 -3.843778510e-03 5.36 -3.297395491e-03 -3.297395491e-03 5.38 -2.827029839e-03 -2.827029839e-03 5.40 -2.422720879e-03 -2.422720879e-03 5.42 -2.075629472e-03 -2.075629472e-03 5.44 -1.777963813e-03 -1.777963813e-03 5.46 -1.522894201e-03 -1.522894201e-03 5.48 -1.304463074e-03 -1.304463074e-03 5.50 -1.117494904e-03 -1.117494904e-03 5.52 -9.575091327e-04 -9.575091327e-04 5.54 -8.206381963e-04 -8.206381963e-04 5.56 -7.035518647e-04 -7.035518647e-04 5.58 -6.033884620e-04 -6.033884620e-04 5.60 -5.176931104e-04 -5.176931104e-04 5.62 -4.443628229e-04 -4.443628229e-04 5.64 -3.815980784e-04 -3.815980784e-04 5.66 -3.278603947e-04 -3.278603947e-04 5.68 -2.818353603e-04 -2.818353603e-04 5.70 -2.424005686e-04 -2.424005686e-04 5.72 -2.085979079e-04 -2.085979079e-04 5.74 -1.796096919e-04 -1.796096919e-04 5.76 -1.547381497e-04 -1.547381497e-04 5.78 -1.333878408e-04 -1.333878408e-04 5.80 -1.150506046e-04 -1.150506046e-04 5.82 -9.929269676e-05 -9.929269676e-05 5.84 -8.574380729e-05 -8.574380729e-05 5.86 -7.408769340e-05 -7.408769340e-05 5.88 -6.405419550e-05 -6.405419550e-05 5.90 -5.541243518e-05 -5.541243518e-05 5.92 -4.796502249e-05 -4.796502249e-05 5.94 -4.154312379e-05 -4.154312379e-05 5.96 -3.600226267e-05 -3.600226267e-05 5.98 -3.121874524e-05 -3.121874524e-05 6.00 -2.708661654e-05 -2.708661654e-05