# 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 = MoNi2W # 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 2.174505760e+02 2.174505760e+02 1.30 1.998444069e+02 1.998444069e+02 1.32 1.836507216e+02 1.836507216e+02 1.34 1.687413046e+02 1.687413046e+02 1.36 1.549979387e+02 1.549979387e+02 1.38 1.423140038e+02 1.423140038e+02 1.40 1.305951150e+02 1.305951150e+02 1.42 1.197589690e+02 1.197589690e+02 1.44 1.097343514e+02 1.097343514e+02 1.46 1.004592652e+02 1.004592652e+02 1.48 9.187869934e+01 9.187869934e+01 1.50 8.394282496e+01 8.394282496e+01 1.52 7.660608028e+01 7.660608028e+01 1.54 6.982689067e+01 6.982689067e+01 1.56 6.356733121e+01 6.356733121e+01 1.58 5.779241485e+01 5.779241485e+01 1.60 5.246933492e+01 5.246933492e+01 1.62 4.756704390e+01 4.756704390e+01 1.64 4.305611259e+01 4.305611259e+01 1.66 3.890857751e+01 3.890857751e+01 1.68 3.509765743e+01 3.509765743e+01 1.70 3.159744575e+01 3.159744575e+01 1.72 2.838272213e+01 2.838272213e+01 1.74 2.542907928e+01 2.542907928e+01 1.76 2.271358357e+01 2.271358357e+01 1.78 2.021508528e+01 2.021508528e+01 1.80 1.791521101e+01 1.791521101e+01 1.82 1.579561698e+01 1.579561698e+01 1.84 1.384037243e+01 1.384037243e+01 1.86 1.203603801e+01 1.203603801e+01 1.88 1.037139158e+01 1.037139158e+01 1.90 8.837005408e+00 8.837005408e+00 1.92 7.424757965e+00 7.424757965e+00 1.94 6.127376117e+00 6.127376117e+00 1.96 4.938076119e+00 4.938076119e+00 1.98 3.850326903e+00 3.850326903e+00 2.00 2.857715521e+00 2.857715521e+00 2.02 1.953875346e+00 1.953875346e+00 2.04 1.132448309e+00 1.132448309e+00 2.06 3.870752719e-01 3.870752719e-01 2.08 -2.885765444e-01 -2.885765444e-01 2.10 -9.007400270e-01 -9.007400270e-01 2.12 -1.455430903e+00 -1.455430903e+00 2.14 -1.958305431e+00 -1.958305431e+00 2.16 -2.414524935e+00 -2.414524935e+00 2.18 -2.828661306e+00 -2.828661306e+00 2.20 -3.204666026e+00 -3.204666026e+00 2.22 -3.545905065e+00 -3.545905065e+00 2.24 -3.855243409e+00 -3.855243409e+00 2.26 -4.135154687e+00 -4.135154687e+00 2.28 -4.387833892e+00 -4.387833892e+00 2.30 -4.615297483e+00 -4.615297483e+00 2.32 -4.819395795e+00 -4.819395795e+00 2.34 -5.001950965e+00 -5.001950965e+00 2.36 -5.164859508e+00 -5.164859508e+00 2.38 -5.309870640e+00 -5.309870640e+00 2.40 -5.438537512e+00 -5.438537512e+00 2.42 -5.552188405e+00 -5.552188405e+00 2.44 -5.651930001e+00 -5.651930001e+00 2.46 -5.738651579e+00 -5.738651579e+00 2.48 -5.812853692e+00 -5.812853692e+00 2.50 -5.874751745e+00 -5.874751745e+00 2.52 -5.924795595e+00 -5.924795595e+00 2.54 -5.963482184e+00 -5.963482184e+00 2.56 -5.991272463e+00 -5.991272463e+00 2.58 -6.008593152e+00 -6.008593152e+00 2.60 -6.015840985e+00 -6.015840985e+00 2.62 -6.013390808e+00 -6.013390808e+00 2.64 -6.001585397e+00 -6.001585397e+00 2.66 -5.980576379e+00 -5.980576379e+00 2.68 -5.950467718e+00 -5.950467718e+00 2.70 -5.911440989e+00 -5.911440989e+00 2.72 -5.863751340e+00 -5.863751340e+00 2.74 -5.807718044e+00 -5.807718044e+00 2.76 -5.743714127e+00 -5.743714127e+00 2.78 -5.672148104e+00 -5.672148104e+00 2.80 -5.593447740e+00 -5.593447740e+00 2.82 -5.508050929e+00 -5.508050929e+00 2.84 -5.416406674e+00 -5.416406674e+00 2.86 -5.318975080e+00 -5.318975080e+00 2.88 -5.216092878e+00 -5.216092878e+00 2.90 -5.108066322e+00 -5.108066322e+00 2.92 -4.995326285e+00 -4.995326285e+00 2.94 -4.878427536e+00 -4.878427536e+00 2.96 -4.758034426e+00 -4.758034426e+00 2.98 -4.634896007e+00 -4.634896007e+00 3.00 -4.509811296e+00 -4.509811296e+00 3.02 -4.383587372e+00 -4.383587372e+00 3.04 -4.256994678e+00 -4.256994678e+00 3.06 -4.130724770e+00 -4.130724770e+00 3.08 -4.005355498e+00 -4.005355498e+00 3.10 -3.881327399e+00 -3.881327399e+00 3.12 -3.758933142e+00 -3.758933142e+00 3.14 -3.638319818e+00 -3.638319818e+00 3.16 -3.519502203e+00 -3.519502203e+00 3.18 -3.402384116e+00 -3.402384116e+00 3.20 -3.286784763e+00 -3.286784763e+00 3.22 -3.172467290e+00 -3.172467290e+00 3.24 -3.059167428e+00 -3.059167428e+00 3.26 -2.946620821e+00 -2.946620821e+00 3.28 -2.834588197e+00 -2.834588197e+00 3.30 -2.722877888e+00 -2.722877888e+00 3.32 -2.611365264e+00 -2.611365264e+00 3.34 -2.500008557e+00 -2.500008557e+00 3.36 -2.388860329e+00 -2.388860329e+00 3.38 -2.278073701e+00 -2.278073701e+00 3.40 -2.167902409e+00 -2.167902409e+00 3.42 -2.058694003e+00 -2.058694003e+00 3.44 -1.950875966e+00 -1.950875966e+00 3.46 -1.844935255e+00 -1.844935255e+00 3.48 -1.741392599e+00 -1.741392599e+00 3.50 -1.640773627e+00 -1.640773627e+00 3.52 -1.543579444e+00 -1.543579444e+00 3.54 -1.450259393e+00 -1.450259393e+00 3.56 -1.361188474e+00 -1.361188474e+00 3.58 -1.276651242e+00 -1.276651242e+00 3.60 -1.196833102e+00 -1.196833102e+00 3.62 -1.121819035e+00 -1.121819035e+00 3.64 -1.051598945e+00 -1.051598945e+00 3.66 -9.860782866e-01 -9.860782866e-01 3.68 -9.250923310e-01 -9.250923310e-01 3.70 -8.684224115e-01 -8.684224115e-01 3.72 -8.158126540e-01 -8.158126540e-01 3.74 -7.669859798e-01 -7.669859798e-01 3.76 -7.216584628e-01 -7.216584628e-01 3.78 -6.795514098e-01 -6.795514098e-01 3.80 -6.404007581e-01 -6.404007581e-01 3.82 -6.039635766e-01 -6.039635766e-01 3.84 -5.700216278e-01 -5.700216278e-01 3.86 -5.383821329e-01 -5.383821329e-01 3.88 -5.088760946e-01 -5.088760946e-01 3.90 -4.813547443e-01 -4.813547443e-01 3.92 -4.556848638e-01 -4.556848638e-01 3.94 -4.317438083e-01 -4.317438083e-01 3.96 -4.094150021e-01 -4.094150021e-01 3.98 -3.885844829e-01 -3.885844829e-01 4.00 -3.691387857e-01 -3.691387857e-01 4.02 -3.509641610e-01 -3.509641610e-01 4.04 -3.339468877e-01 -3.339468877e-01 4.06 -3.179743127e-01 -3.179743127e-01 4.08 -3.029362343e-01 -3.029362343e-01 4.10 -2.887263040e-01 -2.887263040e-01 4.12 -2.752432430e-01 -2.752432430e-01 4.14 -2.623917712e-01 -2.623917712e-01 4.16 -2.500829246e-01 -2.500829246e-01 4.18 -2.382349349e-01 -2.382349349e-01 4.20 -2.267739052e-01 -2.267739052e-01 4.22 -2.156331591e-01 -2.156331591e-01 4.24 -2.047536138e-01 -2.047536138e-01 4.26 -1.940842208e-01 -1.940842208e-01 4.28 -1.835825236e-01 -1.835825236e-01 4.30 -1.732153458e-01 -1.732153458e-01 4.32 -1.629595789e-01 -1.629595789e-01 4.34 -1.528029839e-01 -1.528029839e-01 4.36 -1.427448767e-01 -1.427448767e-01 4.38 -1.327965294e-01 -1.327965294e-01 4.40 -1.229811009e-01 -1.229811009e-01 4.42 -1.133329247e-01 -1.133329247e-01 4.44 -1.038960271e-01 -1.038960271e-01 4.46 -9.472184186e-02 -9.472184186e-02 4.48 -8.586620255e-02 -8.586620255e-02 4.50 -7.738582233e-02 -7.738582233e-02 4.52 -6.933457951e-02 -6.933457951e-02 4.54 -6.175998770e-02 -6.175998770e-02 4.56 -5.470022334e-02 -5.470022334e-02 4.58 -4.818200687e-02 -4.818200687e-02 4.60 -4.221951377e-02 -4.221951377e-02 4.62 -3.681432696e-02 -3.681432696e-02 4.64 -3.195631126e-02 -3.195631126e-02 4.66 -2.762519265e-02 -2.762519265e-02 4.68 -2.379259074e-02 -2.379259074e-02 4.70 -2.042423386e-02 -2.042423386e-02 4.72 -1.748209739e-02 -1.748209739e-02 4.74 -1.492587463e-02 -1.492587463e-02 4.76 -1.271580845e-02 -1.271580845e-02 4.78 -1.081340165e-02 -1.081340165e-02 4.80 -9.181990330e-03 -9.181990330e-03 4.82 -7.787449630e-03 -7.787449630e-03 4.84 -6.598597718e-03 -6.598597718e-03 4.86 -5.587366004e-03 -5.587366004e-03 4.88 -4.728797074e-03 -4.728797074e-03 4.90 -4.000923843e-03 -4.000923843e-03 4.92 -3.384572953e-03 -3.384572953e-03 4.94 -2.863125570e-03 -2.863125570e-03 4.96 -2.422259905e-03 -2.422259905e-03 4.98 -2.049692512e-03 -2.049692512e-03 5.00 -1.734929600e-03 -1.734929600e-03 5.02 -1.469035241e-03 -1.469035241e-03 5.04 -1.244420154e-03 -1.244420154e-03 5.06 -1.054652515e-03 -1.054652515e-03 5.08 -8.942907149e-04 -8.942907149e-04 5.10 -7.587370931e-04 -7.587370931e-04 5.12 -6.441110459e-04 -6.441110459e-04 5.14 -5.471397074e-04 -5.471397074e-04 5.16 -4.650642655e-04 -4.650642655e-04 5.18 -3.955600347e-04 -3.955600347e-04 5.20 -3.366685041e-04 -3.366685041e-04 5.22 -2.867397346e-04 -2.867397346e-04 5.24 -2.443836395e-04 -2.443836395e-04 5.26 -2.084288547e-04 -2.084288547e-04 5.28 -1.778880661e-04 -1.778880661e-04 5.30 -1.519288124e-04 -1.519288124e-04 5.32 -1.298489185e-04 -1.298489185e-04 5.34 -1.110558390e-04 -1.110558390e-04 5.36 -9.504929468e-05 -9.504929468e-05 5.38 -8.140668095e-05 -8.140668095e-05 5.40 -6.977080720e-05 -6.977080720e-05 5.42 -5.983959360e-05 -5.983959360e-05 5.44 -5.135741223e-05 -5.135741223e-05 5.46 -4.410780808e-05 -4.410780808e-05 5.48 -3.790737839e-05 -3.790737839e-05 5.50 -3.260062401e-05 -3.260062401e-05 5.52 -2.805561661e-05 -2.805561661e-05 5.54 -2.416035081e-05 -2.416035081e-05 5.56 -2.081967135e-05 -2.081967135e-05 5.58 -1.795268327e-05 -1.795268327e-05 5.60 -1.549056803e-05 -1.549056803e-05 5.62 -1.337474074e-05 -1.337474074e-05 5.64 -1.155529439e-05 -1.155529439e-05 5.66 -9.989685468e-06 -9.989685468e-06 5.68 -8.641622914e-06 -8.641622914e-06 5.70 -7.480128243e-06 -7.480128243e-06 5.72 -6.478740021e-06 -6.478740021e-06 5.74 -5.614840061e-06 -5.614840061e-06 5.76 -4.869082313e-06 -4.869082313e-06 5.78 -4.224908517e-06 -4.224908517e-06 5.80 -3.668137125e-06 -3.668137125e-06 5.82 -3.186614207e-06 -3.186614207e-06 5.84 -2.769916769e-06 -2.769916769e-06 5.86 -2.409100470e-06 -2.409100470e-06 5.88 -2.096484932e-06 -2.096484932e-06 5.90 -1.825470930e-06 -1.825470930e-06 5.92 -1.590384626e-06 -1.590384626e-06 5.94 -1.386344746e-06 -1.386344746e-06 5.96 -1.209149268e-06 -1.209149268e-06 5.98 -1.055178669e-06 -1.055178669e-06 6.00 -9.213132791e-07 -9.213132791e-07