# 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 = MoNiTa2 # 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 2.870911187e+02 2.870911187e+02 1.30 2.655203227e+02 2.655203227e+02 1.32 2.455773717e+02 2.455773717e+02 1.34 2.271245731e+02 2.271245731e+02 1.36 2.100379807e+02 2.100379807e+02 1.38 1.942061631e+02 1.942061631e+02 1.40 1.795291572e+02 1.795291572e+02 1.42 1.659173992e+02 1.659173992e+02 1.44 1.532900433e+02 1.532900433e+02 1.46 1.415727713e+02 1.415727713e+02 1.48 1.306958953e+02 1.306958953e+02 1.50 1.205934790e+02 1.205934790e+02 1.52 1.112036243e+02 1.112036243e+02 1.54 1.024694916e+02 1.024694916e+02 1.56 9.434029792e+01 9.434029792e+01 1.58 8.677162890e+01 8.677162890e+01 1.60 7.972487114e+01 7.972487114e+01 1.62 7.316604058e+01 7.316604058e+01 1.64 6.706445188e+01 6.706445188e+01 1.66 6.139157036e+01 6.139157036e+01 1.68 5.612022472e+01 5.612022472e+01 1.70 5.122420886e+01 5.122420886e+01 1.72 4.667818840e+01 4.667818840e+01 1.74 4.245779460e+01 4.245779460e+01 1.76 3.853981925e+01 3.853981925e+01 1.78 3.490244867e+01 3.490244867e+01 1.80 3.152547138e+01 3.152547138e+01 1.82 2.839039500e+01 2.839039500e+01 1.84 2.548042739e+01 2.548042739e+01 1.86 2.278081158e+01 2.278081158e+01 1.88 2.028527510e+01 2.028527510e+01 1.90 1.798244304e+01 1.798244304e+01 1.92 1.585973966e+01 1.585973966e+01 1.94 1.390569541e+01 1.390569541e+01 1.96 1.210735582e+01 1.210735582e+01 1.98 1.045211164e+01 1.045211164e+01 2.00 8.927880955e+00 8.927880955e+00 2.02 7.523329995e+00 7.523329995e+00 2.04 6.228086429e+00 6.228086429e+00 2.06 5.032880920e+00 5.032880920e+00 2.08 3.929579723e+00 3.929579723e+00 2.10 2.911112006e+00 2.911112006e+00 2.12 1.971329542e+00 1.971329542e+00 2.14 1.104845903e+00 1.104845903e+00 2.16 3.068882658e-01 3.068882658e-01 2.18 -4.268271196e-01 -4.268271196e-01 2.20 -1.100199985e+00 -1.100199985e+00 2.22 -1.716839452e+00 -1.716839452e+00 2.24 -2.280149848e+00 -2.280149848e+00 2.26 -2.793408158e+00 -2.793408158e+00 2.28 -3.259829659e+00 -3.259829659e+00 2.30 -3.682616779e+00 -3.682616779e+00 2.32 -4.064984203e+00 -4.064984203e+00 2.34 -4.410152146e+00 -4.410152146e+00 2.36 -4.721303449e+00 -4.721303449e+00 2.38 -5.001510492e+00 -5.001510492e+00 2.40 -5.253649991e+00 -5.253649991e+00 2.42 -5.480329459e+00 -5.480329459e+00 2.44 -5.683844039e+00 -5.683844039e+00 2.46 -5.866170154e+00 -5.866170154e+00 2.48 -6.028990298e+00 -6.028990298e+00 2.50 -6.173736779e+00 -6.173736779e+00 2.52 -6.301641830e+00 -6.301641830e+00 2.54 -6.413784845e+00 -6.413784845e+00 2.56 -6.511057467e+00 -6.511057467e+00 2.58 -6.594220519e+00 -6.594220519e+00 2.60 -6.664277738e+00 -6.664277738e+00 2.62 -6.722164756e+00 -6.722164756e+00 2.64 -6.768747669e+00 -6.768747669e+00 2.66 -6.804836826e+00 -6.804836826e+00 2.68 -6.831196047e+00 -6.831196047e+00 2.70 -6.848547894e+00 -6.848547894e+00 2.72 -6.857566909e+00 -6.857566909e+00 2.74 -6.858662316e+00 -6.858662316e+00 2.76 -6.851925173e+00 -6.851925173e+00 2.78 -6.837611148e+00 -6.837611148e+00 2.80 -6.816032531e+00 -6.816032531e+00 2.82 -6.787488896e+00 -6.787488896e+00 2.84 -6.752261210e+00 -6.752261210e+00 2.86 -6.710611171e+00 -6.710611171e+00 2.88 -6.662782763e+00 -6.662782763e+00 2.90 -6.609009962e+00 -6.609009962e+00 2.92 -6.549520355e+00 -6.549520355e+00 2.94 -6.484501691e+00 -6.484501691e+00 2.96 -6.414027603e+00 -6.414027603e+00 2.98 -6.338164274e+00 -6.338164274e+00 3.00 -6.256937220e+00 -6.256937220e+00 3.02 -6.170242945e+00 -6.170242945e+00 3.04 -6.077997973e+00 -6.077997973e+00 3.06 -5.980161005e+00 -5.980161005e+00 3.08 -5.876725087e+00 -5.876725087e+00 3.10 -5.767712580e+00 -5.767712580e+00 3.12 -5.653173600e+00 -5.653173600e+00 3.14 -5.533188346e+00 -5.533188346e+00 3.16 -5.407873291e+00 -5.407873291e+00 3.18 -5.277390736e+00 -5.277390736e+00 3.20 -5.141960703e+00 -5.141960703e+00 3.22 -5.001873653e+00 -5.001873653e+00 3.24 -4.857502135e+00 -4.857502135e+00 3.26 -4.709309256e+00 -4.709309256e+00 3.28 -4.557851950e+00 -4.557851950e+00 3.30 -4.403777415e+00 -4.403777415e+00 3.32 -4.247811859e+00 -4.247811859e+00 3.34 -4.090741658e+00 -4.090741658e+00 3.36 -3.933388067e+00 -3.933388067e+00 3.38 -3.776577529e+00 -3.776577529e+00 3.40 -3.621110165e+00 -3.621110165e+00 3.42 -3.467729168e+00 -3.467729168e+00 3.44 -3.317093612e+00 -3.317093612e+00 3.46 -3.169756631e+00 -3.169756631e+00 3.48 -3.026150335e+00 -3.026150335e+00 3.50 -2.886578148e+00 -2.886578148e+00 3.52 -2.751214665e+00 -2.751214665e+00 3.54 -2.620112620e+00 -2.620112620e+00 3.56 -2.493216128e+00 -2.493216128e+00 3.58 -2.370379018e+00 -2.370379018e+00 3.60 -2.251386883e+00 -2.251386883e+00 3.62 -2.135981349e+00 -2.135981349e+00 3.64 -2.023885073e+00 -2.023885073e+00 3.66 -1.914826071e+00 -1.914826071e+00 3.68 -1.808560131e+00 -1.808560131e+00 3.70 -1.704890183e+00 -1.704890183e+00 3.72 -1.603681690e+00 -1.603681690e+00 3.74 -1.504873249e+00 -1.504873249e+00 3.76 -1.408481775e+00 -1.408481775e+00 3.78 -1.314601882e+00 -1.314601882e+00 3.80 -1.223399383e+00 -1.223399383e+00 3.82 -1.135099248e+00 -1.135099248e+00 3.84 -1.049968817e+00 -1.049968817e+00 3.86 -9.682975565e-01 -9.682975565e-01 3.88 -8.903750506e-01 -8.903750506e-01 3.90 -8.164691760e-01 -8.164691760e-01 3.92 -7.468064218e-01 -7.468064218e-01 3.94 -6.815560766e-01 -6.815560766e-01 3.96 -6.208195030e-01 -6.208195030e-01 3.98 -5.646250711e-01 -5.646250711e-01 4.00 -5.129286139e-01 -5.129286139e-01 4.02 -4.656186649e-01 -4.656186649e-01 4.04 -4.225253115e-01 -4.225253115e-01 4.06 -3.834313179e-01 -3.834313179e-01 4.08 -3.480842022e-01 -3.480842022e-01 4.10 -3.162081574e-01 -3.162081574e-01 4.12 -2.875149926e-01 -2.875149926e-01 4.14 -2.617135786e-01 -2.617135786e-01 4.16 -2.385175663e-01 -2.385175663e-01 4.18 -2.176513571e-01 -2.176513571e-01 4.20 -1.988544607e-01 -1.988544607e-01 4.22 -1.818844643e-01 -1.818844643e-01 4.24 -1.665188703e-01 -1.665188703e-01 4.26 -1.525560648e-01 -1.525560648e-01 4.28 -1.398156476e-01 -1.398156476e-01 4.30 -1.281383134e-01 -1.281383134e-01 4.32 -1.173854290e-01 -1.173854290e-01 4.34 -1.074383864e-01 -1.074383864e-01 4.36 -9.819775916e-02 -9.819775916e-02 4.38 -8.958225851e-02 -8.958225851e-02 4.40 -8.152747829e-02 -8.152747829e-02 4.42 -7.398435105e-02 -7.398435105e-02 4.44 -6.691722172e-02 -6.691722172e-02 4.46 -6.030134487e-02 -6.030134487e-02 4.48 -5.412150445e-02 -5.412150445e-02 4.50 -4.836869146e-02 -4.836869146e-02 4.52 -4.303735454e-02 -4.303735454e-02 4.54 -3.812304467e-02 -3.812304467e-02 4.56 -3.362040424e-02 -3.362040424e-02 4.58 -2.952162124e-02 -2.952162124e-02 4.60 -2.581546053e-02 -2.581546053e-02 4.62 -2.248687272e-02 -2.248687272e-02 4.64 -1.951690263e-02 -1.951690263e-02 4.66 -1.688336247e-02 -1.688336247e-02 4.68 -1.456224359e-02 -1.456224359e-02 4.70 -1.252786389e-02 -1.252786389e-02 4.72 -1.075378112e-02 -1.075378112e-02 4.74 -9.213640553e-03 -9.213640553e-03 4.76 -7.881875213e-03 -7.881875213e-03 4.78 -6.734237951e-03 -6.734237951e-03 4.80 -5.748167585e-03 -5.748167585e-03 4.82 -4.903007403e-03 -4.903007403e-03 4.84 -4.180098955e-03 -4.180098955e-03 4.86 -3.562781617e-03 -3.562781617e-03 4.88 -3.036321849e-03 -3.036321849e-03 4.90 -2.587795983e-03 -2.587795983e-03 4.92 -2.205945091e-03 -2.205945091e-03 4.94 -1.881016391e-03 -1.881016391e-03 4.96 -1.604601781e-03 -1.604601781e-03 4.98 -1.369480828e-03 -1.369480828e-03 5.00 -1.169472925e-03 -1.169472925e-03 5.02 -9.993013473e-04 -9.993013473e-04 5.04 -8.544704848e-04 -8.544704848e-04 5.06 -7.311565293e-04 -7.311565293e-04 5.08 -6.261112098e-04 -6.261112098e-04 5.10 -5.365777704e-04 -5.365777704e-04 5.12 -4.602181540e-04 -4.602181540e-04 5.14 -3.950502590e-04 -3.950502590e-04 5.16 -3.393941251e-04 -3.393941251e-04 5.18 -2.918259506e-04 -2.918259506e-04 5.20 -2.511389178e-04 -2.511389178e-04 5.22 -2.163098978e-04 -2.163098978e-04 5.24 -1.864712069e-04 -1.864712069e-04 5.26 -1.608866808e-04 -1.608866808e-04 5.28 -1.389314298e-04 -1.389314298e-04 5.30 -1.200747221e-04 -1.200747221e-04 5.32 -1.038655184e-04 -1.038655184e-04 5.34 -8.992025267e-05 -8.992025267e-05 5.36 -7.791251065e-05 -7.791251065e-05 5.38 -6.756431136e-05 -6.756431136e-05 5.40 -5.863874168e-05 -5.863874168e-05 5.42 -5.093373240e-05 -5.093373240e-05 5.44 -4.427679688e-05 -4.427679688e-05 5.46 -3.852058156e-05 -3.852058156e-05 5.48 -3.353910113e-05 -3.353910113e-05 5.50 -2.922455116e-05 -2.922455116e-05 5.52 -2.548460806e-05 -2.548460806e-05 5.54 -2.224014037e-05 -2.224014037e-05 5.56 -1.942326727e-05 -1.942326727e-05 5.58 -1.697571059e-05 -1.697571059e-05 5.60 -1.484739485e-05 -1.484739485e-05 5.62 -1.299525713e-05 -1.299525713e-05 5.64 -1.138223456e-05 -1.138223456e-05 5.66 -9.976402147e-06 -9.976402147e-06 5.68 -8.750238176e-06 -8.750238176e-06 5.70 -7.679997700e-06 -7.679997700e-06 5.72 -6.745177832e-06 -6.745177832e-06 5.74 -5.928061004e-06 -5.928061004e-06 5.76 -5.213324513e-06 -5.213324513e-06 5.78 -4.587706456e-06 -4.587706456e-06 5.80 -4.039719696e-06 -4.039719696e-06 5.82 -3.559406735e-06 -3.559406735e-06 5.84 -3.138129490e-06 -3.138129490e-06 5.86 -2.768388849e-06 -2.768388849e-06 5.88 -2.443669667e-06 -2.443669667e-06 5.90 -2.158307512e-06 -2.158307512e-06 5.92 -1.907374018e-06 -1.907374018e-06 5.94 -1.686578162e-06 -1.686578162e-06 5.96 -1.492181205e-06 -1.492181205e-06 5.98 -1.320923327e-06 -1.320923327e-06 6.00 -1.169960321e-06 -1.169960321e-06