# 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 = NiTa2Zr # 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 3.087702147e+02 3.087702147e+02 1.30 2.862012090e+02 2.862012090e+02 1.32 2.652986539e+02 2.652986539e+02 1.34 2.459286962e+02 2.459286962e+02 1.36 2.279711006e+02 2.279711006e+02 1.38 2.113176963e+02 2.113176963e+02 1.40 1.958705305e+02 1.958705305e+02 1.42 1.815399046e+02 1.815399046e+02 1.44 1.682425150e+02 1.682425150e+02 1.46 1.558999339e+02 1.558999339e+02 1.48 1.444377185e+02 1.444377185e+02 1.50 1.337852553e+02 1.337852553e+02 1.52 1.238762620e+02 1.238762620e+02 1.54 1.146495927e+02 1.146495927e+02 1.56 1.060500566e+02 1.060500566e+02 1.58 9.802881557e+01 9.802881557e+01 1.60 9.054316246e+01 9.054316246e+01 1.62 8.355574337e+01 8.355574337e+01 1.64 7.703356957e+01 7.703356957e+01 1.66 7.094702597e+01 7.094702597e+01 1.68 6.526905259e+01 6.526905259e+01 1.70 5.997458140e+01 5.997458140e+01 1.72 5.504010456e+01 5.504010456e+01 1.74 5.044336265e+01 5.044336265e+01 1.76 4.616313722e+01 4.616313722e+01 1.78 4.217916963e+01 4.217916963e+01 1.80 3.847214542e+01 3.847214542e+01 1.82 3.502369735e+01 3.502369735e+01 1.84 3.181639204e+01 3.181639204e+01 1.86 2.883375681e+01 2.883375681e+01 1.88 2.606027227e+01 2.606027227e+01 1.90 2.348131372e+01 2.348131372e+01 1.92 2.108304536e+01 2.108304536e+01 1.94 1.885229878e+01 1.885229878e+01 1.96 1.678146483e+01 1.678146483e+01 1.98 1.486282149e+01 1.486282149e+01 2.00 1.308443453e+01 1.308443453e+01 2.02 1.143517624e+01 1.143517624e+01 2.04 9.904958844e+00 9.904958844e+00 2.06 8.484794288e+00 8.484794288e+00 2.08 7.166764303e+00 7.166764303e+00 2.10 5.943920823e+00 5.943920823e+00 2.12 4.810125899e+00 4.810125899e+00 2.14 3.759885911e+00 3.759885911e+00 2.16 2.788207861e+00 2.788207861e+00 2.18 1.890477924e+00 1.890477924e+00 2.20 1.062371666e+00 1.062371666e+00 2.22 2.997716837e-01 2.997716837e-01 2.24 -4.012898345e-01 -4.012898345e-01 2.26 -1.044666742e+00 -1.044666742e+00 2.28 -1.634127940e+00 -1.634127940e+00 2.30 -2.173351460e+00 -2.173351460e+00 2.32 -2.665946660e+00 -2.665946660e+00 2.34 -3.115434938e+00 -3.115434938e+00 2.36 -3.525234989e+00 -3.525234989e+00 2.38 -3.898618184e+00 -3.898618184e+00 2.40 -4.238655857e+00 -4.238655857e+00 2.42 -4.548176388e+00 -4.548176388e+00 2.44 -4.829734928e+00 -4.829734928e+00 2.46 -5.085613262e+00 -5.085613262e+00 2.48 -5.317833538e+00 -5.317833538e+00 2.50 -5.528183197e+00 -5.528183197e+00 2.52 -5.718244052e+00 -5.718244052e+00 2.54 -5.889421438e+00 -5.889421438e+00 2.56 -6.042971081e+00 -6.042971081e+00 2.58 -6.180023116e+00 -6.180023116e+00 2.60 -6.301604050e+00 -6.301604050e+00 2.62 -6.408655560e+00 -6.408655560e+00 2.64 -6.502060767e+00 -6.502060767e+00 2.66 -6.582647610e+00 -6.582647610e+00 2.68 -6.651208934e+00 -6.651208934e+00 2.70 -6.708411327e+00 -6.708411327e+00 2.72 -6.754925879e+00 -6.754925879e+00 2.74 -6.791595063e+00 -6.791595063e+00 2.76 -6.819200994e+00 -6.819200994e+00 2.78 -6.838457000e+00 -6.838457000e+00 2.80 -6.850057052e+00 -6.850057052e+00 2.82 -6.854553828e+00 -6.854553828e+00 2.84 -6.852398152e+00 -6.852398152e+00 2.86 -6.843993843e+00 -6.843993843e+00 2.88 -6.829646001e+00 -6.829646001e+00 2.90 -6.809379287e+00 -6.809379287e+00 2.92 -6.783186032e+00 -6.783186032e+00 2.94 -6.751106346e+00 -6.751106346e+00 2.96 -6.713220405e+00 -6.713220405e+00 2.98 -6.669586928e+00 -6.669586928e+00 3.00 -6.620219456e+00 -6.620219456e+00 3.02 -6.565165738e+00 -6.565165738e+00 3.04 -6.504502849e+00 -6.504502849e+00 3.06 -6.438335192e+00 -6.438335192e+00 3.08 -6.366778199e+00 -6.366778199e+00 3.10 -6.289963990e+00 -6.289963990e+00 3.12 -6.208037821e+00 -6.208037821e+00 3.14 -6.121172830e+00 -6.121172830e+00 3.16 -6.029524213e+00 -6.029524213e+00 3.18 -5.933221724e+00 -5.933221724e+00 3.20 -5.832448983e+00 -5.832448983e+00 3.22 -5.727460911e+00 -5.727460911e+00 3.24 -5.618589952e+00 -5.618589952e+00 3.26 -5.506248984e+00 -5.506248984e+00 3.28 -5.390928375e+00 -5.390928375e+00 3.30 -5.273184908e+00 -5.273184908e+00 3.32 -5.153621521e+00 -5.153621521e+00 3.34 -5.032858894e+00 -5.032858894e+00 3.36 -4.911502118e+00 -4.911502118e+00 3.38 -4.790107281e+00 -4.790107281e+00 3.40 -4.669152157e+00 -4.669152157e+00 3.42 -4.549019360e+00 -4.549019360e+00 3.44 -4.429981537e+00 -4.429981537e+00 3.46 -4.312204864e+00 -4.312204864e+00 3.48 -4.195756021e+00 -4.195756021e+00 3.50 -4.080615702e+00 -4.080615702e+00 3.52 -3.966695398e+00 -3.966695398e+00 3.54 -3.853855547e+00 -3.853855547e+00 3.56 -3.741923706e+00 -3.741923706e+00 3.58 -3.630711896e+00 -3.630711896e+00 3.60 -3.520032665e+00 -3.520032665e+00 3.62 -3.409713700e+00 -3.409713700e+00 3.64 -3.299610988e+00 -3.299610988e+00 3.66 -3.189620536e+00 -3.189620536e+00 3.68 -3.079688663e+00 -3.079688663e+00 3.70 -2.969820698e+00 -2.969820698e+00 3.72 -2.860087803e+00 -2.860087803e+00 3.74 -2.750631439e+00 -2.750631439e+00 3.76 -2.641664878e+00 -2.641664878e+00 3.78 -2.533471126e+00 -2.533471126e+00 3.80 -2.426396681e+00 -2.426396681e+00 3.82 -2.320840782e+00 -2.320840782e+00 3.84 -2.217240204e+00 -2.217240204e+00 3.86 -2.116050143e+00 -2.116050143e+00 3.88 -2.017722370e+00 -2.017722370e+00 3.90 -1.922682388e+00 -1.922682388e+00 3.92 -1.831306345e+00 -1.831306345e+00 3.94 -1.743908389e+00 -1.743908389e+00 3.96 -1.660718380e+00 -1.660718380e+00 3.98 -1.581881331e+00 -1.581881331e+00 4.00 -1.507455254e+00 -1.507455254e+00 4.02 -1.437416514e+00 -1.437416514e+00 4.04 -1.371669627e+00 -1.371669627e+00 4.06 -1.310059868e+00 -1.310059868e+00 4.08 -1.252387038e+00 -1.252387038e+00 4.10 -1.198413543e+00 -1.198413543e+00 4.12 -1.147899843e+00 -1.147899843e+00 4.14 -1.100578713e+00 -1.100578713e+00 4.16 -1.056189530e+00 -1.056189530e+00 4.18 -1.014478135e+00 -1.014478135e+00 4.20 -9.752017345e-01 -9.752017345e-01 4.22 -9.381322797e-01 -9.381322797e-01 4.24 -9.030586392e-01 -9.030586392e-01 4.26 -8.697878410e-01 -8.697878410e-01 4.28 -8.381456436e-01 -8.381456436e-01 4.30 -8.079766350e-01 -8.079766350e-01 4.32 -7.791440115e-01 -7.791440115e-01 4.34 -7.515291242e-01 -7.515291242e-01 4.36 -7.250308362e-01 -7.250308362e-01 4.38 -6.995646833e-01 -6.995646833e-01 4.40 -6.750618075e-01 -6.750618075e-01 4.42 -6.514676166e-01 -6.514676166e-01 4.44 -6.287401239e-01 -6.287401239e-01 4.46 -6.068477619e-01 -6.068477619e-01 4.48 -5.857676941e-01 -5.857676941e-01 4.50 -5.654831505e-01 -5.654831505e-01 4.52 -5.459808331e-01 -5.459808331e-01 4.54 -5.272486748e-01 -5.272486748e-01 4.56 -5.092739052e-01 -5.092739052e-01 4.58 -4.920415665e-01 -4.920415665e-01 4.60 -4.755335615e-01 -4.755335615e-01 4.62 -4.597282444e-01 -4.597282444e-01 4.64 -4.446004955e-01 -4.446004955e-01 4.66 -4.301221763e-01 -4.301221763e-01 4.68 -4.162628355e-01 -4.162628355e-01 4.70 -4.029905361e-01 -4.029905361e-01 4.72 -3.902726950e-01 -3.902726950e-01 4.74 -3.780768498e-01 -3.780768498e-01 4.76 -3.663713038e-01 -3.663713038e-01 4.78 -3.551256236e-01 -3.551256236e-01 4.80 -3.443078111e-01 -3.443078111e-01 4.82 -3.338977677e-01 -3.338977677e-01 4.84 -3.238666101e-01 -3.238666101e-01 4.86 -3.141912177e-01 -3.141912177e-01 4.88 -3.048503400e-01 -3.048503400e-01 4.90 -2.958244917e-01 -2.958244917e-01 4.92 -2.870958189e-01 -2.870958189e-01 4.94 -2.786479511e-01 -2.786479511e-01 4.96 -2.704658479e-01 -2.704658479e-01 4.98 -2.625356498e-01 -2.625356498e-01 5.00 -2.548445360e-01 -2.548445360e-01 5.02 -2.473805948e-01 -2.473805948e-01 5.04 -2.401327063e-01 -2.401327063e-01 5.06 -2.330904412e-01 -2.330904412e-01 5.08 -2.262439734e-01 -2.262439734e-01 5.10 -2.195840097e-01 -2.195840097e-01 5.12 -2.131017346e-01 -2.131017346e-01 5.14 -2.067887725e-01 -2.067887725e-01 5.16 -2.006371655e-01 -2.006371655e-01 5.18 -1.946393697e-01 -1.946393697e-01 5.20 -1.887882680e-01 -1.887882680e-01 5.22 -1.830772004e-01 -1.830772004e-01 5.24 -1.775000112e-01 -1.775000112e-01 5.26 -1.720511111e-01 -1.720511111e-01 5.28 -1.667255511e-01 -1.667255511e-01 5.30 -1.615191038e-01 -1.615191038e-01 5.32 -1.564283454e-01 -1.564283454e-01 5.34 -1.514507294e-01 -1.514507294e-01 5.36 -1.465846425e-01 -1.465846425e-01 5.38 -1.418294291e-01 -1.418294291e-01 5.40 -1.371853757e-01 -1.371853757e-01 5.42 -1.326536441e-01 -1.326536441e-01 5.44 -1.282361475e-01 -1.282361475e-01 5.46 -1.239353708e-01 -1.239353708e-01 5.48 -1.197541404e-01 -1.197541404e-01 5.50 -1.156953573e-01 -1.156953573e-01 5.52 -1.117617159e-01 -1.117617159e-01 5.54 -1.079554278e-01 -1.079554278e-01 5.56 -1.042779777e-01 -1.042779777e-01 5.58 -1.007299306e-01 -1.007299306e-01 5.60 -9.731070492e-02 -9.731070492e-02 5.62 -9.401866620e-02 -9.401866620e-02 5.64 -9.085124230e-02 -9.085124230e-02 5.66 -8.780481743e-02 -8.780481743e-02 5.68 -8.487486130e-02 -8.487486130e-02 5.70 -8.205608851e-02 -8.205608851e-02 5.72 -7.934263081e-02 -7.934263081e-02 5.74 -7.672820723e-02 -7.672820723e-02 5.76 -7.420628145e-02 -7.420628145e-02 5.78 -7.177019888e-02 -7.177019888e-02 5.80 -6.941330025e-02 -6.941330025e-02 5.82 -6.712901111e-02 -6.712901111e-02 5.84 -6.491090907e-02 -6.491090907e-02 5.86 -6.275277214e-02 -6.275277214e-02 5.88 -6.064861217e-02 -6.064861217e-02 5.90 -5.859269780e-02 -5.859269780e-02 5.92 -5.657957114e-02 -5.657957114e-02 5.94 -5.460406228e-02 -5.460406228e-02 5.96 -5.266130512e-02 -5.266130512e-02 5.98 -5.074675739e-02 -5.074675739e-02 6.00 -4.885622604e-02 -4.885622604e-02