# 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 = AlTa2W # 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 3.202492216e+02 3.202492216e+02 1.30 2.970781582e+02 2.970781582e+02 1.32 2.756188471e+02 2.756188471e+02 1.34 2.557343429e+02 2.557343429e+02 1.36 2.372996717e+02 2.372996717e+02 1.38 2.202004112e+02 2.202004112e+02 1.40 2.043313951e+02 2.043313951e+02 1.42 1.895957533e+02 1.895957533e+02 1.44 1.759040616e+02 1.759040616e+02 1.46 1.631735921e+02 1.631735921e+02 1.48 1.513279102e+02 1.513279102e+02 1.50 1.402967948e+02 1.402967948e+02 1.52 1.300162325e+02 1.300162325e+02 1.54 1.204284008e+02 1.204284008e+02 1.56 1.114816511e+02 1.114816511e+02 1.58 1.031303371e+02 1.031303371e+02 1.60 9.533426270e+01 9.533426270e+01 1.62 8.805772012e+01 8.805772012e+01 1.64 8.126835681e+01 8.126835681e+01 1.66 7.493618798e+01 7.493618798e+01 1.68 6.903295077e+01 6.903295077e+01 1.70 6.353178901e+01 6.353178901e+01 1.72 5.840711743e+01 5.840711743e+01 1.74 5.363451896e+01 5.363451896e+01 1.76 4.919063676e+01 4.919063676e+01 1.78 4.505311920e+01 4.505311920e+01 1.80 4.120067685e+01 4.120067685e+01 1.82 3.761323848e+01 3.761323848e+01 1.84 3.427212150e+01 3.427212150e+01 1.86 3.116011761e+01 3.116011761e+01 1.88 2.826143581e+01 2.826143581e+01 1.90 2.556151327e+01 2.556151327e+01 1.92 2.305007951e+01 2.305007951e+01 1.94 2.072086336e+01 2.072086336e+01 1.96 1.856129868e+01 1.856129868e+01 1.98 1.655885724e+01 1.655885724e+01 2.00 1.470301430e+01 1.470301430e+01 2.02 1.298342070e+01 1.298342070e+01 2.04 1.138958968e+01 1.138958968e+01 2.06 9.911810736e+00 9.911810736e+00 2.08 8.541155805e+00 8.541155805e+00 2.10 7.269464664e+00 7.269464664e+00 2.12 6.089314797e+00 6.089314797e+00 2.14 4.993985825e+00 4.993985825e+00 2.16 3.977424712e+00 3.977424712e+00 2.18 3.034208785e+00 3.034208785e+00 2.20 2.159497252e+00 2.159497252e+00 2.22 1.348962768e+00 1.348962768e+00 2.24 5.987019452e-01 5.987019452e-01 2.26 -9.486726852e-02 -9.486726852e-02 2.28 -7.351072987e-01 -7.351072987e-01 2.30 -1.325246229e+00 -1.325246229e+00 2.32 -1.868434513e+00 -1.868434513e+00 2.34 -2.367766753e+00 -2.367766753e+00 2.36 -2.826270139e+00 -2.826270139e+00 2.38 -3.246868533e+00 -3.246868533e+00 2.40 -3.632336568e+00 -3.632336568e+00 2.42 -3.985259003e+00 -3.985259003e+00 2.44 -4.308006545e+00 -4.308006545e+00 2.46 -4.602732197e+00 -4.602732197e+00 2.48 -4.871385162e+00 -4.871385162e+00 2.50 -5.115735504e+00 -5.115735504e+00 2.52 -5.337402807e+00 -5.337402807e+00 2.54 -5.537884590e+00 -5.537884590e+00 2.56 -5.718582229e+00 -5.718582229e+00 2.58 -5.880822143e+00 -5.880822143e+00 2.60 -6.025868866e+00 -6.025868866e+00 2.62 -6.154926845e+00 -6.154926845e+00 2.64 -6.269090685e+00 -6.269090685e+00 2.66 -6.369200043e+00 -6.369200043e+00 2.68 -6.456343196e+00 -6.456343196e+00 2.70 -6.531566081e+00 -6.531566081e+00 2.72 -6.595768909e+00 -6.595768909e+00 2.74 -6.649722818e+00 -6.649722818e+00 2.76 -6.694090564e+00 -6.694090564e+00 2.78 -6.729447027e+00 -6.729447027e+00 2.80 -6.756296951e+00 -6.756296951e+00 2.82 -6.775053118e+00 -6.775053118e+00 2.84 -6.785775557e+00 -6.785775557e+00 2.86 -6.788312567e+00 -6.788312567e+00 2.88 -6.782564587e+00 -6.782564587e+00 2.90 -6.768496819e+00 -6.768496819e+00 2.92 -6.746130655e+00 -6.746130655e+00 2.94 -6.715536912e+00 -6.715536912e+00 2.96 -6.676830021e+00 -6.676830021e+00 2.98 -6.630162416e+00 -6.630162416e+00 3.00 -6.575718507e+00 -6.575718507e+00 3.02 -6.513804381e+00 -6.513804381e+00 3.04 -6.445599057e+00 -6.445599057e+00 3.06 -6.371116721e+00 -6.371116721e+00 3.08 -6.290103735e+00 -6.290103735e+00 3.10 -6.202414032e+00 -6.202414032e+00 3.12 -6.107995601e+00 -6.107995601e+00 3.14 -6.006876726e+00 -6.006876726e+00 3.16 -5.899157461e+00 -5.899157461e+00 3.18 -5.785017844e+00 -5.785017844e+00 3.20 -5.664698204e+00 -5.664698204e+00 3.22 -5.538493084e+00 -5.538493084e+00 3.24 -5.406759788e+00 -5.406759788e+00 3.26 -5.269926997e+00 -5.269926997e+00 3.28 -5.128500923e+00 -5.128500923e+00 3.30 -4.983066862e+00 -4.983066862e+00 3.32 -4.834284743e+00 -4.834284743e+00 3.34 -4.682878279e+00 -4.682878279e+00 3.36 -4.529618230e+00 -4.529618230e+00 3.38 -4.375301115e+00 -4.375301115e+00 3.40 -4.220725157e+00 -4.220725157e+00 3.42 -4.066665389e+00 -4.066665389e+00 3.44 -3.913849683e+00 -3.913849683e+00 3.46 -3.762937182e+00 -3.762937182e+00 3.48 -3.614500248e+00 -3.614500248e+00 3.50 -3.469010824e+00 -3.469010824e+00 3.52 -3.326831863e+00 -3.326831863e+00 3.54 -3.188214304e+00 -3.188214304e+00 3.56 -3.053299853e+00 -3.053299853e+00 3.58 -2.922129478e+00 -2.922129478e+00 3.60 -2.794657171e+00 -2.794657171e+00 3.62 -2.670768118e+00 -2.670768118e+00 3.64 -2.550300066e+00 -2.550300066e+00 3.66 -2.433066431e+00 -2.433066431e+00 3.68 -2.318879525e+00 -2.318879525e+00 3.70 -2.207572323e+00 -2.207572323e+00 3.72 -2.099017210e+00 -2.099017210e+00 3.74 -1.993140413e+00 -1.993140413e+00 3.76 -1.889931057e+00 -1.889931057e+00 3.78 -1.789444188e+00 -1.789444188e+00 3.80 -1.691797564e+00 -1.691797564e+00 3.82 -1.597162553e+00 -1.597162553e+00 3.84 -1.505750042e+00 -1.505750042e+00 3.86 -1.417792744e+00 -1.417792744e+00 3.88 -1.333525680e+00 -1.333525680e+00 3.90 -1.253166764e+00 -1.253166764e+00 3.92 -1.176899325e+00 -1.176899325e+00 3.94 -1.104858100e+00 -1.104858100e+00 3.96 -1.037119649e+00 -1.037119649e+00 3.98 -9.736976896e-01 -9.736976896e-01 4.00 -9.145431365e-01 -9.145431365e-01 4.02 -8.595482503e-01 -8.595482503e-01 4.04 -8.085539658e-01 -8.085539658e-01 4.06 -7.613593498e-01 -7.613593498e-01 4.08 -7.177321523e-01 -7.177321523e-01 4.10 -6.774195455e-01 -6.774195455e-01 4.12 -6.401584223e-01 -6.401584223e-01 4.14 -6.056845631e-01 -6.056845631e-01 4.16 -5.737406384e-01 -5.737406384e-01 4.18 -5.440826788e-01 -5.440826788e-01 4.20 -5.164850415e-01 -5.164850415e-01 4.22 -4.907438648e-01 -4.907438648e-01 4.24 -4.666790497e-01 -4.666790497e-01 4.26 -4.441348354e-01 -4.441348354e-01 4.28 -4.229790665e-01 -4.229790665e-01 4.30 -4.031012996e-01 -4.031012996e-01 4.32 -3.844099707e-01 -3.844099707e-01 4.34 -3.668288862e-01 -3.668288862e-01 4.36 -3.502933847e-01 -3.502933847e-01 4.38 -3.347465243e-01 -3.347465243e-01 4.40 -3.201356569e-01 -3.201356569e-01 4.42 -3.064096171e-01 -3.064096171e-01 4.44 -2.935166412e-01 -2.935166412e-01 4.46 -2.814030229e-01 -2.814030229e-01 4.48 -2.700132617e-01 -2.700132617e-01 4.50 -2.592897597e-01 -2.592897597e-01 4.52 -2.491733675e-01 -2.491733675e-01 4.54 -2.396042445e-01 -2.396042445e-01 4.56 -2.305227864e-01 -2.305227864e-01 4.58 -2.218705069e-01 -2.218705069e-01 4.60 -2.135908073e-01 -2.135908073e-01 4.62 -2.056296066e-01 -2.056296066e-01 4.64 -1.979358256e-01 -1.979358256e-01 4.66 -1.904615546e-01 -1.904615546e-01 4.68 -1.831628854e-01 -1.831628854e-01 4.70 -1.759999248e-01 -1.759999248e-01 4.72 -1.689368959e-01 -1.689368959e-01 4.74 -1.619424650e-01 -1.619424650e-01 4.76 -1.549900927e-01 -1.549900927e-01 4.78 -1.480584193e-01 -1.480584193e-01 4.80 -1.411316720e-01 -1.411316720e-01 4.82 -1.342001010e-01 -1.342001010e-01 4.84 -1.272603121e-01 -1.272603121e-01 4.86 -1.203155631e-01 -1.203155631e-01 4.88 -1.133758605e-01 -1.133758605e-01 4.90 -1.064578320e-01 -1.064578320e-01 4.92 -9.958430825e-02 -9.958430825e-02 4.94 -9.278357778e-02 -9.278357778e-02 4.96 -8.608830856e-02 -8.608830856e-02 4.98 -7.953416806e-02 -7.953416806e-02 5.00 -7.315821384e-02 -7.315821384e-02 5.02 -6.699716169e-02 -6.699716169e-02 5.04 -6.108566127e-02 -6.108566127e-02 5.06 -5.545471503e-02 -5.545471503e-02 5.08 -5.013036445e-02 -5.013036445e-02 5.10 -4.513273136e-02 -4.513273136e-02 5.12 -4.047546463e-02 -4.047546463e-02 5.14 -3.616561450e-02 -3.616561450e-02 5.16 -3.220387715e-02 -3.220387715e-02 5.18 -2.858515928e-02 -2.858515928e-02 5.20 -2.529935257e-02 -2.529935257e-02 5.22 -2.233224100e-02 -2.233224100e-02 5.24 -1.966646525e-02 -1.966646525e-02 5.26 -1.728243538e-02 -1.728243538e-02 5.28 -1.515887830e-02 -1.515887830e-02 5.30 -1.327446965e-02 -1.327446965e-02 5.32 -1.160800054e-02 -1.160800054e-02 5.34 -1.013869520e-02 -1.013869520e-02 5.36 -8.846621802e-03 -8.846621802e-03 5.38 -7.712978654e-03 -7.712978654e-03 5.40 -6.720275238e-03 -6.720275238e-03 5.42 -5.852428073e-03 -5.852428073e-03 5.44 -5.094790397e-03 -5.094790397e-03 5.46 -4.434132479e-03 -4.434132479e-03 5.48 -3.858586886e-03 -3.858586886e-03 5.50 -3.357570400e-03 -3.357570400e-03 5.52 -2.921691825e-03 -2.921691825e-03 5.54 -2.542652761e-03 -2.542652761e-03 5.56 -2.213146555e-03 -2.213146555e-03 5.58 -1.926759147e-03 -1.926759147e-03 5.60 -1.677874312e-03 -1.677874312e-03 5.62 -1.461584883e-03 -1.461584883e-03 5.64 -1.273610847e-03 -1.273610847e-03 5.66 -1.110224671e-03 -1.110224671e-03 5.68 -9.681839038e-04 -9.681839038e-04 5.70 -8.446707906e-04 -8.446707906e-04 5.72 -7.372385481e-04 -7.372385481e-04 5.74 -6.437637986e-04 -6.437637986e-04 5.76 -5.624046520e-04 -5.624046520e-04 5.78 -4.915638981e-04 -4.915638981e-04 5.80 -4.298567854e-04 -4.298567854e-04 5.82 -3.760828848e-04 -3.760828848e-04 5.84 -3.292015728e-04 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