# 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 = Au2MgTi # 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 3.821370441e+02 3.821370441e+02 1.30 3.544046679e+02 3.544046679e+02 1.32 3.287264438e+02 3.287264438e+02 1.34 3.049393579e+02 3.049393579e+02 1.36 2.828936341e+02 2.828936341e+02 1.38 2.624518952e+02 2.624518952e+02 1.40 2.434889077e+02 2.434889077e+02 1.42 2.258907017e+02 2.258907017e+02 1.44 2.095530488e+02 2.095530488e+02 1.46 1.943798258e+02 1.943798258e+02 1.48 1.802819563e+02 1.802819563e+02 1.50 1.671772866e+02 1.671772866e+02 1.52 1.549908508e+02 1.549908508e+02 1.54 1.436546571e+02 1.436546571e+02 1.56 1.331067639e+02 1.331067639e+02 1.58 1.232900484e+02 1.232900484e+02 1.60 1.141512621e+02 1.141512621e+02 1.62 1.056406044e+02 1.056406044e+02 1.64 9.771164236e+01 9.771164236e+01 1.66 9.032130817e+01 9.032130817e+01 1.68 8.342993519e+01 8.342993519e+01 1.70 7.700132817e+01 7.700132817e+01 1.72 7.100271607e+01 7.100271607e+01 1.74 6.540444307e+01 6.540444307e+01 1.76 6.019467737e+01 6.019467737e+01 1.78 5.535942729e+01 5.535942729e+01 1.80 5.087222994e+01 5.087222994e+01 1.82 4.670833026e+01 4.670833026e+01 1.84 4.284468944e+01 4.284468944e+01 1.86 3.925990133e+01 3.925990133e+01 1.88 3.593421053e+01 3.593421053e+01 1.90 3.284946630e+01 3.284946630e+01 1.92 2.998899070e+01 2.998899070e+01 1.94 2.733735953e+01 2.733735953e+01 1.96 2.488014793e+01 2.488014793e+01 1.98 2.260371638e+01 2.260371638e+01 2.00 2.049511889e+01 2.049511889e+01 2.02 1.854213709e+01 1.854213709e+01 2.04 1.673336902e+01 1.673336902e+01 2.06 1.505828967e+01 1.505828967e+01 2.08 1.350724878e+01 1.350724878e+01 2.10 1.207141870e+01 1.207141870e+01 2.12 1.074271229e+01 1.074271229e+01 2.14 9.513691594e+00 9.513691594e+00 2.16 8.377477361e+00 8.377477361e+00 2.18 7.327668893e+00 7.327668893e+00 2.20 6.358281587e+00 6.358281587e+00 2.22 5.463702157e+00 5.463702157e+00 2.24 4.638664869e+00 4.638664869e+00 2.26 3.878246289e+00 3.878246289e+00 2.28 3.177870055e+00 3.177870055e+00 2.30 2.533310801e+00 2.533310801e+00 2.32 1.940681660e+00 1.940681660e+00 2.34 1.396405149e+00 1.396405149e+00 2.36 8.971756133e-01 8.971756133e-01 2.38 4.399230396e-01 4.399230396e-01 2.40 2.178431202e-02 2.178431202e-02 2.42 -3.599191495e-01 -3.599191495e-01 2.44 -7.076990880e-01 -7.076990880e-01 2.46 -1.023917618e+00 -1.023917618e+00 2.48 -1.310803358e+00 -1.310803358e+00 2.50 -1.570466760e+00 -1.570466760e+00 2.52 -1.804913409e+00 -1.804913409e+00 2.54 -2.016053928e+00 -2.016053928e+00 2.56 -2.205709157e+00 -2.205709157e+00 2.58 -2.375609717e+00 -2.375609717e+00 2.60 -2.527435255e+00 -2.527435255e+00 2.62 -2.662708087e+00 -2.662708087e+00 2.64 -2.782767880e+00 -2.782767880e+00 2.66 -2.888840687e+00 -2.888840687e+00 2.68 -2.982032214e+00 -2.982032214e+00 2.70 -3.063330308e+00 -3.063330308e+00 2.72 -3.133616164e+00 -3.133616164e+00 2.74 -3.193743016e+00 -3.193743016e+00 2.76 -3.244445101e+00 -3.244445101e+00 2.78 -3.286114451e+00 -3.286114451e+00 2.80 -3.319150158e+00 -3.319150158e+00 2.82 -3.343969258e+00 -3.343969258e+00 2.84 -3.361002024e+00 -3.361002024e+00 2.86 -3.370686807e+00 -3.370686807e+00 2.88 -3.373465783e+00 -3.373465783e+00 2.90 -3.369780828e+00 -3.369780828e+00 2.92 -3.360061053e+00 -3.360061053e+00 2.94 -3.344727880e+00 -3.344727880e+00 2.96 -3.324205138e+00 -3.324205138e+00 2.98 -3.298921831e+00 -3.298921831e+00 3.00 -3.269315089e+00 -3.269315089e+00 3.02 -3.235831431e+00 -3.235831431e+00 3.04 -3.198923937e+00 -3.198923937e+00 3.06 -3.159045318e+00 -3.159045318e+00 3.08 -3.116634527e+00 -3.116634527e+00 3.10 -3.072103782e+00 -3.072103782e+00 3.12 -3.025825817e+00 -3.025825817e+00 3.14 -2.978126727e+00 -2.978126727e+00 3.16 -2.929282448e+00 -2.929282448e+00 3.18 -2.879522415e+00 -2.879522415e+00 3.20 -2.829035619e+00 -2.829035619e+00 3.22 -2.777978465e+00 -2.777978465e+00 3.24 -2.726482608e+00 -2.726482608e+00 3.26 -2.674661745e+00 -2.674661745e+00 3.28 -2.622616852e+00 -2.622616852e+00 3.30 -2.570439778e+00 -2.570439778e+00 3.32 -2.518215429e+00 -2.518215429e+00 3.34 -2.466022846e+00 -2.466022846e+00 3.36 -2.413949758e+00 -2.413949758e+00 3.38 -2.362064950e+00 -2.362064950e+00 3.40 -2.310415979e+00 -2.310415979e+00 3.42 -2.259051008e+00 -2.259051008e+00 3.44 -2.208019198e+00 -2.208019198e+00 3.46 -2.157371920e+00 -2.157371920e+00 3.48 -2.107163644e+00 -2.107163644e+00 3.50 -2.057452545e+00 -2.057452545e+00 3.52 -2.008298749e+00 -2.008298749e+00 3.54 -1.959745874e+00 -1.959745874e+00 3.56 -1.911828717e+00 -1.911828717e+00 3.58 -1.864585812e+00 -1.864585812e+00 3.60 -1.818055414e+00 -1.818055414e+00 3.62 -1.772271619e+00 -1.772271619e+00 3.64 -1.727261450e+00 -1.727261450e+00 3.66 -1.683043288e+00 -1.683043288e+00 3.68 -1.639626649e+00 -1.639626649e+00 3.70 -1.597013086e+00 -1.597013086e+00 3.72 -1.555197762e+00 -1.555197762e+00 3.74 -1.514171299e+00 -1.514171299e+00 3.76 -1.473921540e+00 -1.473921540e+00 3.78 -1.434435046e+00 -1.434435046e+00 3.80 -1.395698225e+00 -1.395698225e+00 3.82 -1.357698108e+00 -1.357698108e+00 3.84 -1.320422785e+00 -1.320422785e+00 3.86 -1.283861579e+00 -1.283861579e+00 3.88 -1.248004984e+00 -1.248004984e+00 3.90 -1.212844455e+00 -1.212844455e+00 3.92 -1.178371971e+00 -1.178371971e+00 3.94 -1.144580200e+00 -1.144580200e+00 3.96 -1.111461356e+00 -1.111461356e+00 3.98 -1.079007525e+00 -1.079007525e+00 4.00 -1.047210354e+00 -1.047210354e+00 4.02 -1.016061007e+00 -1.016061007e+00 4.04 -9.855502275e-01 -9.855502275e-01 4.06 -9.556685116e-01 -9.556685116e-01 4.08 -9.264063611e-01 -9.264063611e-01 4.10 -8.977542896e-01 -8.977542896e-01 4.12 -8.697046226e-01 -8.697046226e-01 4.14 -8.422497374e-01 -8.422497374e-01 4.16 -8.153840899e-01 -8.153840899e-01 4.18 -7.891042445e-01 -7.891042445e-01 4.20 -7.634092472e-01 -7.634092472e-01 4.22 -7.383008645e-01 -7.383008645e-01 4.24 -7.137836259e-01 -7.137836259e-01 4.26 -6.898646144e-01 -6.898646144e-01 4.28 -6.665529709e-01 -6.665529709e-01 4.30 -6.438591112e-01 -6.438591112e-01 4.32 -6.217936978e-01 -6.217936978e-01 4.34 -6.003664504e-01 -6.003664504e-01 4.36 -5.795849138e-01 -5.795849138e-01 4.38 -5.594533181e-01 -5.594533181e-01 4.40 -5.399716570e-01 -5.399716570e-01 4.42 -5.211350797e-01 -5.211350797e-01 4.44 -5.029336440e-01 -5.029336440e-01 4.46 -4.853524273e-01 -4.853524273e-01 4.48 -4.683719434e-01 -4.683719434e-01 4.50 -4.519687876e-01 -4.519687876e-01 4.52 -4.361164139e-01 -4.361164139e-01 4.54 -4.207859591e-01 -4.207859591e-01 4.56 -4.059470423e-01 -4.059470423e-01 4.58 -3.915684898e-01 -3.915684898e-01 4.60 -3.776189651e-01 -3.776189651e-01 4.62 -3.640674951e-01 -3.640674951e-01 4.64 -3.508839084e-01 -3.508839084e-01 4.66 -3.380392022e-01 -3.380392022e-01 4.68 -3.255058651e-01 -3.255058651e-01 4.70 -3.132581793e-01 -3.132581793e-01 4.72 -3.012725240e-01 -3.012725240e-01 4.74 -2.895276969e-01 -2.895276969e-01 4.76 -2.780052617e-01 -2.780052617e-01 4.78 -2.666899219e-01 -2.666899219e-01 4.80 -2.555696841e-01 -2.555696841e-01 4.82 -2.446371972e-01 -2.446371972e-01 4.84 -2.338886117e-01 -2.338886117e-01 4.86 -2.233249044e-01 -2.233249044e-01 4.88 -2.129517589e-01 -2.129517589e-01 4.90 -2.027795509e-01 -2.027795509e-01 4.92 -1.928231149e-01 -1.928231149e-01 4.94 -1.831012584e-01 -1.831012584e-01 4.96 -1.736360077e-01 -1.736360077e-01 4.98 -1.644515977e-01 -1.644515977e-01 5.00 -1.555732481e-01 -1.555732481e-01 5.02 -1.470258016e-01 -1.470258016e-01 5.04 -1.388323224e-01 -1.388323224e-01 5.06 -1.310127704e-01 -1.310127704e-01 5.08 -1.235828633e-01 -1.235828633e-01 5.10 -1.165532215e-01 -1.165532215e-01 5.12 -1.099288601e-01 -1.099288601e-01 5.14 -1.037090506e-01 -1.037090506e-01 5.16 -9.788753928e-02 -9.788753928e-02 5.18 -9.245305304e-02 -9.245305304e-02 5.20 -8.739002687e-02 -8.739002687e-02 5.22 -8.267948957e-02 -8.267948957e-02 5.24 -7.829998222e-02 -7.829998222e-02 5.26 -7.422811090e-02 -7.422811090e-02 5.28 -7.043931686e-02 -7.043931686e-02 5.30 -6.691033237e-02 -6.691033237e-02 5.32 -6.361829706e-02 -6.361829706e-02 5.34 -6.054099931e-02 -6.054099931e-02 5.36 -5.765730361e-02 -5.765730361e-02 5.38 -5.494742919e-02 -5.494742919e-02 5.40 -5.239310513e-02 -5.239310513e-02 5.42 -4.997763089e-02 -4.997763089e-02 5.44 -4.768586785e-02 -4.768586785e-02 5.46 -4.550418408e-02 -4.550418408e-02 5.48 -4.342037118e-02 -4.342037118e-02 5.50 -4.142354862e-02 -4.142354862e-02 5.52 -3.950406810e-02 -3.950406810e-02 5.54 -3.765342745e-02 -3.765342745e-02 5.56 -3.586420067e-02 -3.586420067e-02 5.58 -3.412998755e-02 -3.412998755e-02 5.60 -3.244538316e-02 -3.244538316e-02 5.62 -3.080596448e-02 -3.080596448e-02 5.64 -2.920828854e-02 -2.920828854e-02 5.66 -2.764989422e-02 -2.764989422e-02 5.68 -2.612929827e-02 -2.612929827e-02 5.70 -2.464597492e-02 -2.464597492e-02 5.72 -2.320031072e-02 -2.320031072e-02 5.74 -2.179352650e-02 -2.179352650e-02 5.76 -2.042756210e-02 -2.042756210e-02 5.78 -1.910492386e-02 -1.910492386e-02 5.80 -1.782849945e-02 -1.782849945e-02 5.82 -1.660134944e-02 -1.660134944e-02 5.84 -1.542648884e-02 -1.542648884e-02 5.86 -1.430667427e-02 -1.430667427e-02 5.88 -1.324417954e-02 -1.324417954e-02 5.90 -1.224055896e-02 -1.224055896e-02 5.92 -1.129684958e-02 -1.129684958e-02 5.94 -1.041333017e-02 -1.041333017e-02 5.96 -9.589484869e-03 -9.589484869e-03 5.98 -8.824045896e-03 -8.824045896e-03 6.00 -8.115075082e-03 -8.115075082e-03