# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Liang-A-Goodelman-D-C-Hodge-A-M-et-al--Fe-Ni-Cr-Co-Ti # implementation = 2023--Liang-A--Fe-Ni-Cr-Co-Ti--LAMMPS--ipr1 # composition = CoNi # 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 2024-03-01 r B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 0.80 nan nan nan nan -4.117793736e+02 -4.117793736e+02 nan nan 0.82 nan nan nan nan -3.808812793e+02 -3.808812793e+02 nan nan 0.84 nan nan nan nan -3.517316701e+02 -3.517316701e+02 nan nan 0.86 nan nan nan nan -3.244787308e+02 -3.244787308e+02 nan nan 0.88 nan nan nan nan -2.991275525e+02 -2.991275525e+02 nan nan 0.90 -4.510254017e+02 -4.510254017e+02 nan nan -2.758804380e+02 -2.758804380e+02 nan nan 0.92 -4.216486319e+02 -4.216486319e+02 nan nan -2.544805769e+02 -2.544805769e+02 nan nan 0.94 -3.935986312e+02 -3.935986312e+02 nan nan -2.342232749e+02 -2.342232749e+02 nan nan 0.96 -3.669483416e+02 -3.669483416e+02 nan nan -2.148698966e+02 -2.148698966e+02 nan nan 0.98 -3.424083393e+02 -3.424083393e+02 nan nan -1.966706365e+02 -1.966706365e+02 nan nan 1.00 -3.199946578e+02 -3.199946578e+02 nan nan -1.796367921e+02 -1.796367921e+02 nan nan 1.02 -2.994578485e+02 -2.994578485e+02 -3.970938644e+02 -3.970938644e+02 -1.636565283e+02 -1.636565283e+02 -4.193360636e+02 -4.193360636e+02 1.04 -2.807254607e+02 -2.807254607e+02 -3.746999815e+02 -3.746999815e+02 -1.486958722e+02 -1.486958722e+02 -3.952960283e+02 -3.952960283e+02 1.06 -2.636997317e+02 -2.636997317e+02 -3.537927757e+02 -3.537927757e+02 -1.348244559e+02 -1.348244559e+02 -3.727858644e+02 -3.727858644e+02 1.08 -2.479116464e+02 -2.479116464e+02 -3.343983886e+02 -3.343983886e+02 -1.221841035e+02 -1.221841035e+02 -3.514439095e+02 -3.514439095e+02 1.10 -2.329699704e+02 -2.329699704e+02 -3.161277956e+02 -3.161277956e+02 -1.107527589e+02 -1.107527589e+02 -3.310944856e+02 -3.310944856e+02 1.12 -2.189659953e+02 -2.189659953e+02 -2.984990522e+02 -2.984990522e+02 -1.003732366e+02 -1.003732366e+02 -3.118251330e+02 -3.118251330e+02 1.14 -2.059963832e+02 -2.059963832e+02 -2.813772171e+02 -2.813772171e+02 -9.103831189e+01 -9.103831189e+01 -2.938215845e+02 -2.938215845e+02 1.16 -1.938522821e+02 -1.938522821e+02 -2.648093928e+02 -2.648093928e+02 -8.280507337e+01 -8.280507337e+01 -2.772204139e+02 -2.772204139e+02 1.18 -1.822221240e+02 -1.822221240e+02 -2.490594329e+02 -2.490594329e+02 -7.569467216e+01 -7.569467216e+01 -2.620236098e+02 -2.620236098e+02 1.20 -1.708698296e+02 -1.708698296e+02 -2.344999397e+02 -2.344999397e+02 -6.964763986e+01 -6.964763986e+01 -2.480687820e+02 -2.480687820e+02 1.22 -1.597114868e+02 -1.597114868e+02 -2.212453141e+02 -2.212453141e+02 -6.451411343e+01 -6.451411343e+01 -2.351635446e+02 -2.351635446e+02 1.24 -1.488003474e+02 -1.488003474e+02 -2.091393773e+02 -2.091393773e+02 -6.000848154e+01 -6.000848154e+01 -2.231632157e+02 -2.231632157e+02 1.26 -1.381841465e+02 -1.381841465e+02 -1.980179985e+02 -1.980179985e+02 -5.586241901e+01 -5.586241901e+01 -2.118917134e+02 -2.118917134e+02 1.28 -1.278251989e+02 -1.278251989e+02 -1.878108333e+02 -1.878108333e+02 -5.196144843e+01 -5.196144843e+01 -2.011699633e+02 -2.011699633e+02 1.30 -1.177083736e+02 -1.177083736e+02 -1.783296988e+02 -1.783296988e+02 -4.826833110e+01 -4.826833110e+01 -1.908443074e+02 -1.908443074e+02 1.32 -1.078605939e+02 -1.078605939e+02 -1.693368071e+02 -1.693368071e+02 -4.476779917e+01 -4.476779917e+01 -1.808587444e+02 -1.808587444e+02 1.34 -9.832317926e+01 -9.832317926e+01 -1.606400025e+02 -1.606400025e+02 -4.137991961e+01 -4.137991961e+01 -1.712194754e+02 -1.712194754e+02 1.36 -8.922978169e+01 -8.922978169e+01 -1.522142884e+02 -1.522142884e+02 -3.802610505e+01 -3.802610505e+01 -1.619199044e+02 -1.619199044e+02 1.38 -8.075337041e+01 -8.075337041e+01 -1.441299440e+02 -1.441299440e+02 -3.470695727e+01 -3.470695727e+01 -1.529710675e+02 -1.529710675e+02 1.40 -7.304252151e+01 -7.304252151e+01 -1.363700253e+02 -1.363700253e+02 -3.146146341e+01 -3.146146341e+01 -1.444169096e+02 -1.444169096e+02 1.42 -6.614404276e+01 -6.614404276e+01 -1.287822099e+02 -1.287822099e+02 -2.828297211e+01 -2.828297211e+01 -1.362633938e+02 -1.362633938e+02 1.44 -5.998189018e+01 -5.998189018e+01 -1.212279441e+02 -1.212279441e+02 -2.513609021e+01 -2.513609021e+01 -1.284541085e+02 -1.284541085e+02 1.46 -5.436974912e+01 -5.436974912e+01 -1.136270693e+02 -1.136270693e+02 -2.195221812e+01 -2.195221812e+01 -1.208834710e+02 -1.208834710e+02 1.48 -4.915379351e+01 -4.915379351e+01 -1.059689175e+02 -1.059689175e+02 -1.865769667e+01 -1.865769667e+01 -1.134730636e+02 -1.134730636e+02 1.50 -4.427897584e+01 -4.427897584e+01 -9.830962150e+01 -9.830962150e+01 -1.524730210e+01 -1.524730210e+01 -1.061885993e+02 -1.061885993e+02 1.52 -3.974128359e+01 -3.974128359e+01 -9.072788201e+01 -9.072788201e+01 -1.201045566e+01 -1.201045566e+01 -9.902408855e+01 -9.902408855e+01 1.54 -3.552945921e+01 -3.552945921e+01 -8.327819874e+01 -8.327819874e+01 -9.270062749e+00 -9.270062749e+00 -9.197163356e+01 -9.197163356e+01 1.56 -3.161673943e+01 -3.161673943e+01 -7.595318597e+01 -7.595318597e+01 -7.093596705e+00 -7.093596705e+00 -8.501465330e+01 -8.501465330e+01 1.58 -2.797614795e+01 -2.797614795e+01 -6.870574046e+01 -6.870574046e+01 -5.397634063e+00 -5.397634063e+00 -7.815400653e+01 -7.815400653e+01 1.60 -2.459417390e+01 -2.459417390e+01 -6.150614779e+01 -6.150614779e+01 -4.102037609e+00 -4.102037609e+00 -7.140152449e+01 -7.140152449e+01 1.62 -2.143424467e+01 -2.143424467e+01 -5.439593733e+01 -5.439593733e+01 -3.139672580e+00 -3.139672580e+00 -6.475318395e+01 -6.475318395e+01 1.64 -1.845389040e+01 -1.845389040e+01 -4.749381118e+01 -4.749381118e+01 -2.441285045e+00 -2.441285045e+00 -5.819593241e+01 -5.819593241e+01 1.66 -1.562898227e+01 -1.562898227e+01 -4.093195493e+01 -4.093195493e+01 -1.928894881e+00 -1.928894881e+00 -5.173895499e+01 -5.173895499e+01 1.68 -1.302543934e+01 -1.302543934e+01 -3.477535272e+01 -3.477535272e+01 -1.523661496e+00 -1.523661496e+00 -4.542794895e+01 -4.542794895e+01 1.70 -1.072623996e+01 -1.072623996e+01 -2.901834569e+01 -2.901834569e+01 -1.158037966e+00 -1.158037966e+00 -3.932726299e+01 -3.932726299e+01 1.72 -8.799141110e+00 -8.799141110e+00 -2.365682863e+01 -2.365682863e+01 -8.264586404e-01 -8.264586404e-01 -3.348659563e+01 -3.348659563e+01 1.74 -7.201285011e+00 -7.201285011e+00 -1.870236509e+01 -1.870236509e+01 -6.295478801e-01 -6.295478801e-01 -2.793634924e+01 -2.793634924e+01 1.76 -5.893752333e+00 -5.893752333e+00 -1.416247464e+01 -1.416247464e+01 -5.666946571e-01 -5.666946571e-01 -2.269545177e+01 -2.269545177e+01 1.78 -4.839977426e+00 -4.839977426e+00 -1.001115119e+01 -1.001115119e+01 -5.752238905e-01 -5.752238905e-01 -1.778285637e+01 -1.778285637e+01 1.80 -3.997976192e+00 -3.997976192e+00 -6.630738232e+00 -6.630738232e+00 -6.046620045e-01 -6.046620045e-01 -1.322816791e+01 -1.322816791e+01 1.82 -3.330315368e+00 -3.330315368e+00 -4.241531145e+00 -4.241531145e+00 -6.327401229e-01 -6.327401229e-01 -9.086152631e+00 -9.086152631e+00 1.84 -2.811014568e+00 -2.811014568e+00 -2.608873813e+00 -2.608873813e+00 -6.608552952e-01 -6.608552952e-01 -5.837000213e+00 -5.837000213e+00 1.86 -2.419943451e+00 -2.419943451e+00 -1.554118172e+00 -1.554118172e+00 -6.916730412e-01 -6.916730412e-01 -3.602267955e+00 -3.602267955e+00 1.88 -2.137926704e+00 -2.137926704e+00 -9.316766795e-01 -9.316766795e-01 -7.283461968e-01 -7.283461968e-01 -2.122848169e+00 -2.122848169e+00 1.90 -1.945238313e+00 -1.945238313e+00 -6.213231145e-01 -6.213231145e-01 -7.740292132e-01 -7.740292132e-01 -1.194067314e+00 -1.194067314e+00 1.92 -1.823221754e+00 -1.823221754e+00 -5.274273017e-01 -5.274273017e-01 -8.310951846e-01 -8.310951846e-01 -6.619858345e-01 -6.619858345e-01 1.94 -1.755228340e+00 -1.755228340e+00 -5.813872600e-01 -5.813872600e-01 -9.006372530e-01 -9.006372530e-01 -4.101877896e-01 -4.101877896e-01 1.96 -1.725072758e+00 -1.725072758e+00 -7.346914908e-01 -7.346914908e-01 -9.813653797e-01 -9.813653797e-01 -3.525839751e-01 -3.525839751e-01 1.98 -1.714528311e+00 -1.714528311e+00 -9.502407356e-01 -9.502407356e-01 -1.070624923e+00 -1.070624923e+00 -4.271396373e-01 -4.271396373e-01 2.00 -1.714730220e+00 -1.714730220e+00 -1.201217540e+00 -1.201217540e+00 -1.165958414e+00 -1.165958414e+00 -5.911477862e-01 -5.911477862e-01 2.02 -1.743377947e+00 -1.743377947e+00 -1.468961862e+00 -1.468961862e+00 -1.265344281e+00 -1.265344281e+00 -8.151420180e-01 -8.151420180e-01 2.04 -1.831978167e+00 -1.831978167e+00 -1.741663978e+00 -1.741663978e+00 -1.367458551e+00 -1.367458551e+00 -1.078019753e+00 -1.078019753e+00 2.06 -1.984548976e+00 -1.984548976e+00 -2.012570400e+00 -2.012570400e+00 -1.471554961e+00 -1.471554961e+00 -1.364028813e+00 -1.364028813e+00 2.08 -2.178908456e+00 -2.178908456e+00 -2.277996398e+00 -2.277996398e+00 -1.576660776e+00 -1.576660776e+00 -1.659917479e+00 -1.659917479e+00 2.10 -2.390801069e+00 -2.390801069e+00 -2.534587360e+00 -2.534587360e+00 -1.681207578e+00 -1.681207578e+00 -1.953949410e+00 -1.953949410e+00 2.12 -2.599127322e+00 -2.599127322e+00 -2.779600974e+00 -2.779600974e+00 -1.783841575e+00 -1.783841575e+00 -2.235481983e+00 -2.235481983e+00 2.14 -2.789524809e+00 -2.789524809e+00 -3.010390428e+00 -3.010390428e+00 -1.883399142e+00 -1.883399142e+00 -2.498231276e+00 -2.498231276e+00 2.16 -2.959550675e+00 -2.959550675e+00 -3.224035377e+00 -3.224035377e+00 -1.978664862e+00 -1.978664862e+00 -2.743803909e+00 -2.743803909e+00 2.18 -3.110075937e+00 -3.110075937e+00 -3.417348562e+00 -3.417348562e+00 -2.067918200e+00 -2.067918200e+00 -2.973738937e+00 -2.973738937e+00 2.20 -3.241330542e+00 -3.241330542e+00 -3.585817314e+00 -3.585817314e+00 -2.148724885e+00 -2.148724885e+00 -3.188190515e+00 -3.188190515e+00 2.22 -3.353415619e+00 -3.353415619e+00 -3.726915189e+00 -3.726915189e+00 -2.219106907e+00 -2.219106907e+00 -3.386735215e+00 -3.386735215e+00 2.24 -3.447338055e+00 -3.447338055e+00 -3.842950851e+00 -3.842950851e+00 -2.278860734e+00 -2.278860734e+00 -3.568718955e+00 -3.568718955e+00 2.26 -3.523086948e+00 -3.523086948e+00 -3.937866578e+00 -3.937866578e+00 -2.328250861e+00 -2.328250861e+00 -3.732402631e+00 -3.732402631e+00 2.28 -3.580397779e+00 -3.580397779e+00 -4.015167772e+00 -4.015167772e+00 -2.367927759e+00 -2.367927759e+00 -3.876544277e+00 -3.876544277e+00 2.30 -3.619386836e+00 -3.619386836e+00 -4.077260888e+00 -4.077260888e+00 -2.398930574e+00 -2.398930574e+00 -4.000865026e+00 -4.000865026e+00 2.32 -3.640608751e+00 -3.640608751e+00 -4.127082540e+00 -4.127082540e+00 -2.422518109e+00 -2.422518109e+00 -4.106163133e+00 -4.106163133e+00 2.34 -3.645430405e+00 -3.645430405e+00 -4.167453322e+00 -4.167453322e+00 -2.439765007e+00 -2.439765007e+00 -4.194026181e+00 -4.194026181e+00 2.36 -3.636217746e+00 -3.636217746e+00 -4.200833253e+00 -4.200833253e+00 -2.451499950e+00 -2.451499950e+00 -4.266239290e+00 -4.266239290e+00 2.38 -3.616093316e+00 -3.616093316e+00 -4.229174516e+00 -4.229174516e+00 -2.458316893e+00 -2.458316893e+00 -4.324149039e+00 -4.324149039e+00 2.40 -3.588103268e+00 -3.588103268e+00 -4.253355477e+00 -4.253355477e+00 -2.460545709e+00 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-1.366781839e-01 -4.333535707e-01 -4.333535707e-01 3.96 -2.005197522e-01 -2.005197522e-01 -3.723801425e-01 -3.723801425e-01 -1.321276465e-01 -1.321276465e-01 -4.233121305e-01 -4.233121305e-01 3.98 -1.947930235e-01 -1.947930235e-01 -3.571706304e-01 -3.571706304e-01 -1.278080330e-01 -1.278080330e-01 -4.136196341e-01 -4.136196341e-01 4.00 -1.890870177e-01 -1.890870177e-01 -3.422472287e-01 -3.422472287e-01 -1.236944989e-01 -1.236944989e-01 -4.041707850e-01 -4.041707850e-01 4.02 -1.834598338e-01 -1.834598338e-01 -3.275945174e-01 -3.275945174e-01 -1.197622704e-01 -1.197622704e-01 -3.948622476e-01 -3.948622476e-01 4.04 -1.779468970e-01 -1.779468970e-01 -3.131987518e-01 -3.131987518e-01 -1.159865216e-01 -1.159865216e-01 -3.855948506e-01 -3.855948506e-01 4.06 -1.725613984e-01 -1.725613984e-01 -2.990479528e-01 -2.990479528e-01 -1.123424497e-01 -1.123424497e-01 -3.762910069e-01 -3.762910069e-01 4.08 -1.672969964e-01 -1.672969964e-01 -2.851318960e-01 -2.851318960e-01 -1.088051845e-01 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