# 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 = Ag2AlTa # 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 2.514092415e+02 2.514092415e+02 1.30 2.334135137e+02 2.334135137e+02 1.32 2.167319002e+02 2.167319002e+02 1.34 2.012579561e+02 2.012579561e+02 1.36 1.868951488e+02 1.868951488e+02 1.38 1.735566372e+02 1.735566372e+02 1.40 1.611642918e+02 1.611642918e+02 1.42 1.496473806e+02 1.496473806e+02 1.44 1.389412086e+02 1.389412086e+02 1.46 1.289859484e+02 1.289859484e+02 1.48 1.197259254e+02 1.197259254e+02 1.50 1.111092965e+02 1.111092965e+02 1.52 1.030877952e+02 1.030877952e+02 1.54 9.561645898e+01 9.561645898e+01 1.56 8.865357352e+01 8.865357352e+01 1.58 8.216086645e+01 8.216086645e+01 1.60 7.610363960e+01 7.610363960e+01 1.62 7.045057096e+01 7.045057096e+01 1.64 6.517322852e+01 6.517322852e+01 1.66 6.024553622e+01 6.024553622e+01 1.68 5.564340032e+01 5.564340032e+01 1.70 5.134607053e+01 5.134607053e+01 1.72 4.733654626e+01 4.733654626e+01 1.74 4.359546339e+01 4.359546339e+01 1.76 4.010469622e+01 4.010469622e+01 1.78 3.684978055e+01 3.684978055e+01 1.80 3.381740668e+01 3.381740668e+01 1.82 3.099284403e+01 3.099284403e+01 1.84 2.836255665e+01 2.836255665e+01 1.86 2.591417560e+01 2.591417560e+01 1.88 2.363634280e+01 2.363634280e+01 1.90 2.151849543e+01 2.151849543e+01 1.92 1.955063332e+01 1.955063332e+01 1.94 1.772311911e+01 1.772311911e+01 1.96 1.602655818e+01 1.602655818e+01 1.98 1.445178388e+01 1.445178388e+01 2.00 1.298993847e+01 1.298993847e+01 2.02 1.163261084e+01 1.163261084e+01 2.04 1.037197876e+01 1.037197876e+01 2.06 9.200906967e+00 9.200906967e+00 2.08 8.112973564e+00 8.112973564e+00 2.10 7.102426668e+00 7.102426668e+00 2.12 6.164096456e+00 6.164096456e+00 2.14 5.293294378e+00 5.293294378e+00 2.16 4.485724163e+00 4.485724163e+00 2.18 3.737416059e+00 3.737416059e+00 2.20 3.044683059e+00 3.044683059e+00 2.22 2.404089678e+00 2.404089678e+00 2.24 1.812422623e+00 1.812422623e+00 2.26 1.266657362e+00 1.266657362e+00 2.28 7.639216618e-01 7.639216618e-01 2.30 3.014623668e-01 3.014623668e-01 2.32 -1.233772969e-01 -1.233772969e-01 2.34 -5.131645978e-01 -5.131645978e-01 2.36 -8.703623402e-01 -8.703623402e-01 2.38 -1.197186667e+00 -1.197186667e+00 2.40 -1.495942227e+00 -1.495942227e+00 2.42 -1.768845175e+00 -1.768845175e+00 2.44 -2.017898656e+00 -2.017898656e+00 2.46 -2.244907188e+00 -2.244907188e+00 2.48 -2.451504497e+00 -2.451504497e+00 2.50 -2.639153267e+00 -2.639153267e+00 2.52 -2.808966826e+00 -2.808966826e+00 2.54 -2.961964232e+00 -2.961964232e+00 2.56 -3.099221112e+00 -3.099221112e+00 2.58 -3.221853012e+00 -3.221853012e+00 2.60 -3.330995211e+00 -3.330995211e+00 2.62 -3.427775344e+00 -3.427775344e+00 2.64 -3.513277710e+00 -3.513277710e+00 2.66 -3.588504331e+00 -3.588504331e+00 2.68 -3.654342419e+00 -3.654342419e+00 2.70 -3.711547003e+00 -3.711547003e+00 2.72 -3.760742034e+00 -3.760742034e+00 2.74 -3.802436819e+00 -3.802436819e+00 2.76 -3.837050711e+00 -3.837050711e+00 2.78 -3.864940789e+00 -3.864940789e+00 2.80 -3.886941528e+00 -3.886941528e+00 2.82 -3.903530523e+00 -3.903530523e+00 2.84 -3.914704144e+00 -3.914704144e+00 2.86 -3.920499040e+00 -3.920499040e+00 2.88 -3.920986439e+00 -3.920986439e+00 2.90 -3.916266994e+00 -3.916266994e+00 2.92 -3.906466996e+00 -3.906466996e+00 2.94 -3.891736488e+00 -3.891736488e+00 2.96 -3.872256075e+00 -3.872256075e+00 2.98 -3.848247158e+00 -3.848247158e+00 3.00 -3.819957292e+00 -3.819957292e+00 3.02 -3.787658737e+00 -3.787658737e+00 3.04 -3.751711952e+00 -3.751711952e+00 3.06 -3.712531563e+00 -3.712531563e+00 3.08 -3.670306866e+00 -3.670306866e+00 3.10 -3.625236104e+00 -3.625236104e+00 3.12 -3.577523745e+00 -3.577523745e+00 3.14 -3.527367112e+00 -3.527367112e+00 3.16 -3.474947990e+00 -3.474947990e+00 3.18 -3.420430497e+00 -3.420430497e+00 3.20 -3.363964674e+00 -3.363964674e+00 3.22 -3.305694321e+00 -3.305694321e+00 3.24 -3.245771397e+00 -3.245771397e+00 3.26 -3.184365832e+00 -3.184365832e+00 3.28 -3.121664107e+00 -3.121664107e+00 3.30 -3.057871763e+00 -3.057871763e+00 3.32 -2.993212272e+00 -2.993212272e+00 3.34 -2.927921928e+00 -2.927921928e+00 3.36 -2.862241612e+00 -2.862241612e+00 3.38 -2.796406695e+00 -2.796406695e+00 3.40 -2.730636566e+00 -2.730636566e+00 3.42 -2.665125192e+00 -2.665125192e+00 3.44 -2.600033799e+00 -2.600033799e+00 3.46 -2.535486397e+00 -2.535486397e+00 3.48 -2.471568313e+00 -2.471568313e+00 3.50 -2.408327526e+00 -2.408327526e+00 3.52 -2.345778300e+00 -2.345778300e+00 3.54 -2.283906492e+00 -2.283906492e+00 3.56 -2.222675893e+00 -2.222675893e+00 3.58 -2.162035078e+00 -2.162035078e+00 3.60 -2.101924347e+00 -2.101924347e+00 3.62 -2.042282501e+00 -2.042282501e+00 3.64 -1.983053253e+00 -1.983053253e+00 3.66 -1.924191142e+00 -1.924191142e+00 3.68 -1.865666826e+00 -1.865666826e+00 3.70 -1.807471584e+00 -1.807471584e+00 3.72 -1.749620797e+00 -1.749620797e+00 3.74 -1.692156180e+00 -1.692156180e+00 3.76 -1.635146463e+00 -1.635146463e+00 3.78 -1.578686336e+00 -1.578686336e+00 3.80 -1.522893518e+00 -1.522893518e+00 3.82 -1.467904003e+00 -1.467904003e+00 3.84 -1.413865723e+00 -1.413865723e+00 3.86 -1.360931082e+00 -1.360931082e+00 3.88 -1.309248953e+00 -1.309248953e+00 3.90 -1.258956848e+00 -1.258956848e+00 3.92 -1.210173917e+00 -1.210173917e+00 3.94 -1.162995409e+00 -1.162995409e+00 3.96 -1.117488886e+00 -1.117488886e+00 3.98 -1.073692477e+00 -1.073692477e+00 4.00 -1.031615039e+00 -1.031615039e+00 4.02 -9.912380346e-01 -9.912380346e-01 4.04 -9.525187640e-01 -9.525187640e-01 4.06 -9.153945694e-01 -9.153945694e-01 4.08 -8.797876110e-01 -8.797876110e-01 4.10 -8.456098655e-01 -8.456098655e-01 4.12 -8.127681387e-01 -8.127681387e-01 4.14 -7.811687006e-01 -7.811687006e-01 4.16 -7.507216286e-01 -7.507216286e-01 4.18 -7.213445395e-01 -7.213445395e-01 4.20 -6.929656674e-01 -6.929656674e-01 4.22 -6.655261538e-01 -6.655261538e-01 4.24 -6.389814284e-01 -6.389814284e-01 4.26 -6.133015687e-01 -6.133015687e-01 4.28 -5.884705748e-01 -5.884705748e-01 4.30 -5.644845652e-01 -5.644845652e-01 4.32 -5.413490115e-01 -5.413490115e-01 4.34 -5.190752426e-01 -5.190752426e-01 4.36 -4.976765597e-01 -4.976765597e-01 4.38 -4.771643634e-01 -4.771643634e-01 4.40 -4.575446964e-01 -4.575446964e-01 4.42 -4.388155384e-01 -4.388155384e-01 4.44 -4.209650684e-01 -4.209650684e-01 4.46 -4.039709608e-01 -4.039709608e-01 4.48 -3.878006427e-01 -3.878006427e-01 4.50 -3.724123277e-01 -3.724123277e-01 4.52 -3.577565868e-01 -3.577565868e-01 4.54 -3.437782027e-01 -3.437782027e-01 4.56 -3.304180878e-01 -3.304180878e-01 4.58 -3.176150973e-01 -3.176150973e-01 4.60 -3.053076337e-01 -3.053076337e-01 4.62 -2.934349938e-01 -2.934349938e-01 4.64 -2.819384602e-01 -2.819384602e-01 4.66 -2.707621686e-01 -2.707621686e-01 4.68 -2.598538024e-01 -2.598538024e-01 4.70 -2.491651721e-01 -2.491651721e-01 4.72 -2.386527344e-01 -2.386527344e-01 4.74 -2.282780961e-01 -2.282780961e-01 4.76 -2.180085345e-01 -2.180085345e-01 4.78 -2.078175454e-01 -2.078175454e-01 4.80 -1.976854070e-01 -1.976854070e-01 4.82 -1.875997698e-01 -1.875997698e-01 4.84 -1.775561188e-01 -1.775561188e-01 4.86 -1.675581853e-01 -1.675581853e-01 4.88 -1.576181161e-01 -1.576181161e-01 4.90 -1.477563654e-01 -1.477563654e-01 4.92 -1.380012258e-01 -1.380012258e-01 4.94 -1.283879483e-01 -1.283879483e-01 4.96 -1.189574362e-01 -1.189574362e-01 4.98 -1.097545432e-01 -1.097545432e-01 5.00 -1.008260575e-01 -1.008260575e-01 5.02 -9.221850208e-02 -9.221850208e-02 5.04 -8.397590595e-02 -8.397590595e-02 5.06 -7.613772864e-02 -7.613772864e-02 5.08 -6.873709583e-02 -6.873709583e-02 5.10 -6.179947622e-02 -6.179947622e-02 5.12 -5.534188084e-02 -5.534188084e-02 5.14 -4.937260588e-02 -4.937260588e-02 5.16 -4.389148406e-02 -4.389148406e-02 5.18 -3.889056297e-02 -3.889056297e-02 5.20 -3.435495092e-02 -3.435495092e-02 5.22 -3.026404659e-02 -3.026404659e-02 5.24 -2.659351687e-02 -2.659351687e-02 5.26 -2.331589336e-02 -2.331589336e-02 5.28 -2.040137338e-02 -2.040137338e-02 5.30 -1.781991095e-02 -1.781991095e-02 5.32 -1.554160378e-02 -1.554160378e-02 5.34 -1.353717646e-02 -1.353717646e-02 5.36 -1.177856170e-02 -1.177856170e-02 5.38 -1.023930587e-02 -1.023930587e-02 5.40 -8.894825512e-03 -8.894825512e-03 5.42 -7.722542604e-03 -7.722542604e-03 5.44 -6.701925354e-03 -6.701925354e-03 5.46 -5.814458400e-03 -5.814458400e-03 5.48 -5.043562872e-03 -5.043562872e-03 5.50 -4.374483080e-03 -4.374483080e-03 5.52 -3.794153162e-03 -3.794153162e-03 5.54 -3.291053836e-03 -3.291053836e-03 5.56 -2.855066819e-03 -2.855066819e-03 5.58 -2.477332211e-03 -2.477332211e-03 5.60 -2.150112480e-03 -2.150112480e-03 5.62 -1.866665285e-03 -1.866665285e-03 5.64 -1.621126378e-03 -1.621126378e-03 5.66 -1.408403107e-03 -1.408403107e-03 5.68 -1.224078496e-03 -1.224078496e-03 5.70 -1.064325533e-03 -1.064325533e-03 5.72 -9.258311018e-04 -9.258311018e-04 5.74 -8.057288062e-04 -8.057288062e-04 5.76 -7.015399410e-04 -7.015399410e-04 5.78 -6.111217972e-04 -6.111217972e-04 5.80 -5.326225383e-04 -5.326225383e-04 5.82 -4.644419132e-04 -4.644419132e-04 5.84 -4.051971218e-04 -4.051971218e-04 5.86 -3.536932132e-04 -3.536932132e-04 5.88 -3.088974484e-04 -3.088974484e-04 5.90 -2.699171263e-04 -2.699171263e-04 5.92 -2.359804205e-04 -2.359804205e-04 5.94 -2.064198323e-04 -2.064198323e-04 5.96 -1.806579102e-04 -1.806579102e-04 5.98 -1.581949312e-04 -1.581949312e-04 6.00 -1.385982770e-04 -1.385982770e-04