# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Al # implementation = 2020--Farkas-D--Fe-Ni-Cr-Co-Al--LAMMPS--ipr1 # composition = FeNi # 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 2022-05-24 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 -5.788711310e+02 -5.788711310e+02 nan nan 0.82 nan nan nan nan -5.351880579e+02 -5.351880579e+02 nan nan 0.84 nan nan nan nan -4.952706127e+02 -4.952706127e+02 nan nan 0.86 nan nan nan nan -4.581889607e+02 -4.581889607e+02 nan nan 0.88 nan nan nan nan -4.233865698e+02 -4.233865698e+02 nan nan 0.90 -6.328568750e+02 -6.328568750e+02 nan nan -3.900172961e+02 -3.900172961e+02 nan nan 0.92 -5.912263970e+02 -5.912263970e+02 nan nan -3.583929097e+02 -3.583929097e+02 nan nan 0.94 -5.529054010e+02 -5.529054010e+02 nan nan -3.300347252e+02 -3.300347252e+02 nan nan 0.96 -5.174126452e+02 -5.174126452e+02 nan nan -3.047979401e+02 -3.047979401e+02 nan nan 0.98 -4.837462415e+02 -4.837462415e+02 nan nan -2.815488610e+02 -2.815488610e+02 nan nan 1.00 -4.517208366e+02 -4.517208366e+02 nan nan -2.596631546e+02 -2.596631546e+02 nan nan 1.02 -4.220676565e+02 -4.220676565e+02 -5.587416987e+02 -5.587416987e+02 -2.390065811e+02 -2.390065811e+02 -5.900411770e+02 -5.900411770e+02 1.04 -3.946614419e+02 -3.946614419e+02 -5.253894906e+02 -5.253894906e+02 -2.196823173e+02 -2.196823173e+02 -5.549547790e+02 -5.549547790e+02 1.06 -3.693855505e+02 -3.693855505e+02 -4.950740880e+02 -4.950740880e+02 -2.018278444e+02 -2.018278444e+02 -5.226534571e+02 -5.226534571e+02 1.08 -3.468531622e+02 -3.468531622e+02 -4.671484063e+02 -4.671484063e+02 -1.855074808e+02 -1.855074808e+02 -4.928747139e+02 -4.928747139e+02 1.10 -3.269419675e+02 -3.269419675e+02 -4.411492774e+02 -4.411492774e+02 -1.707575254e+02 -1.707575254e+02 -4.653544453e+02 -4.653544453e+02 1.12 -3.086353189e+02 -3.086353189e+02 -4.170059075e+02 -4.170059075e+02 -1.576635409e+02 -1.576635409e+02 -4.395830985e+02 -4.395830985e+02 1.14 -2.910459939e+02 -2.910459939e+02 -3.945710829e+02 -3.945710829e+02 -1.459953098e+02 -1.459953098e+02 -4.150245171e+02 -4.150245171e+02 1.16 -2.737820555e+02 -2.737820555e+02 -3.735748471e+02 -3.735748471e+02 -1.351378382e+02 -1.351378382e+02 -3.915646903e+02 -3.915646903e+02 1.18 -2.569673322e+02 -2.569673322e+02 -3.535048427e+02 -3.535048427e+02 -1.246404807e+02 -1.246404807e+02 -3.695150098e+02 -3.695150098e+02 1.20 -2.408414915e+02 -2.408414915e+02 -3.337936989e+02 -3.337936989e+02 -1.143419254e+02 -1.143419254e+02 -3.491113134e+02 -3.491113134e+02 1.22 -2.253882529e+02 -2.253882529e+02 -3.144934459e+02 -3.144934459e+02 -1.043289557e+02 -1.043289557e+02 -3.302399177e+02 -3.302399177e+02 1.24 -2.104553675e+02 -2.104553675e+02 -2.962628614e+02 -2.962628614e+02 -9.498132955e+01 -9.498132955e+01 -3.125765071e+02 -3.125765071e+02 1.26 -1.959933402e+02 -1.959933402e+02 -2.795683486e+02 -2.795683486e+02 -8.672978408e+01 -8.672978408e+01 -2.958984101e+02 -2.958984101e+02 1.28 -1.821285499e+02 -1.821285499e+02 -2.643779197e+02 -2.643779197e+02 -7.968440805e+01 -7.968440805e+01 -2.802366919e+02 -2.802366919e+02 1.30 -1.691488431e+02 -1.691488431e+02 -2.504080287e+02 -2.504080287e+02 -7.353825095e+01 -7.353825095e+01 -2.656299158e+02 -2.656299158e+02 1.32 -1.572104996e+02 -1.572104996e+02 -2.375074949e+02 -2.375074949e+02 -6.794592684e+01 -6.794592684e+01 -2.519372314e+02 -2.519372314e+02 1.34 -1.461925619e+02 -1.461925619e+02 -2.255294979e+02 -2.255294979e+02 -6.274086455e+01 -6.274086455e+01 -2.389635718e+02 -2.389635718e+02 1.36 -1.358128342e+02 -1.358128342e+02 -2.141151526e+02 -2.141151526e+02 -5.783036496e+01 -5.783036496e+01 -2.266156177e+02 -2.266156177e+02 1.38 -1.257820668e+02 -1.257820668e+02 -2.028592278e+02 -2.028592278e+02 -5.308322976e+01 -5.308322976e+01 -2.148387763e+02 -2.148387763e+02 1.40 -1.159385135e+02 -1.159385135e+02 -1.915932903e+02 -1.915932903e+02 -4.836389180e+01 -4.836389180e+01 -2.034297405e+02 -2.034297405e+02 1.42 -1.063355665e+02 -1.063355665e+02 -1.804041420e+02 -1.804041420e+02 -4.359453744e+01 -4.359453744e+01 -1.921412707e+02 -1.921412707e+02 1.44 -9.722151829e+01 -9.722151829e+01 -1.694370342e+02 -1.694370342e+02 -3.877216313e+01 -3.877216313e+01 -1.809384653e+02 -1.809384653e+02 1.46 -8.886200233e+01 -8.886200233e+01 -1.587131205e+02 -1.587131205e+02 -3.395626115e+01 -3.395626115e+01 -1.699785093e+02 -1.699785093e+02 1.48 -8.138288666e+01 -8.138288666e+01 -1.481331084e+02 -1.481331084e+02 -2.923122873e+01 -2.923122873e+01 -1.594014881e+02 -1.594014881e+02 1.50 -7.466323721e+01 -7.466323721e+01 -1.376230378e+02 -1.376230378e+02 -2.467763943e+01 -2.467763943e+01 -1.492287352e+02 -1.492287352e+02 1.52 -6.847565880e+01 -6.847565880e+01 -1.271670837e+02 -1.271670837e+02 -2.062371453e+01 -2.062371453e+01 -1.394497143e+02 -1.394497143e+02 1.54 -6.263885837e+01 -6.263885837e+01 -1.168223573e+02 -1.168223573e+02 -1.702801274e+01 -1.702801274e+01 -1.300713021e+02 -1.300713021e+02 1.56 -5.703934401e+01 -5.703934401e+01 -1.067640385e+02 -1.067640385e+02 -1.372511469e+01 -1.372511469e+01 -1.210682603e+02 -1.210682603e+02 1.58 -5.160345613e+01 -5.160345613e+01 -9.727538247e+01 -9.727538247e+01 -1.069488258e+01 -1.069488258e+01 -1.123718549e+02 -1.123718549e+02 1.60 -4.629519513e+01 -4.629519513e+01 -8.858847973e+01 -8.858847973e+01 -8.020474216e+00 -8.020474216e+00 -1.039365789e+02 -1.039365789e+02 1.62 -4.111004773e+01 -4.111004773e+01 -8.071918616e+01 -8.071918616e+01 -5.964355573e+00 -5.964355573e+00 -9.576553891e+01 -9.576553891e+01 1.64 -3.606583216e+01 -3.606583216e+01 -7.351938428e+01 -7.351938428e+01 -4.425688062e+00 -4.425688062e+00 -8.787204523e+01 -8.787204523e+01 1.66 -3.118597823e+01 -3.118597823e+01 -6.683988261e+01 -6.683988261e+01 -3.260766201e+00 -3.260766201e+00 -8.025096522e+01 -8.025096522e+01 1.68 -2.648655970e+01 -2.648655970e+01 -6.059092631e+01 -6.059092631e+01 -2.371438138e+00 -2.371438138e+00 -7.288428090e+01 -7.288428090e+01 1.70 -2.209781526e+01 -2.209781526e+01 -5.469463011e+01 -5.469463011e+01 -1.694103534e+00 -1.694103534e+00 -6.576269178e+01 -6.576269178e+01 1.72 -1.833024570e+01 -1.833024570e+01 -4.906699616e+01 -4.906699616e+01 -1.185563869e+00 -1.185563869e+00 -5.890402394e+01 -5.890402394e+01 1.74 -1.506430173e+01 -1.506430173e+01 -4.362909427e+01 -4.362909427e+01 -8.196524753e-01 -8.196524753e-01 -5.235558292e+01 -5.235558292e+01 1.76 -1.217745424e+01 -1.217745424e+01 -3.835148755e+01 -3.835148755e+01 -5.756820264e-01 -5.756820264e-01 -4.618977151e+01 -4.618977151e+01 1.78 -9.598286473e+00 -9.598286473e+00 -3.325550639e+01 -3.325550639e+01 -4.134801057e-01 -4.134801057e-01 -4.045905184e+01 -4.045905184e+01 1.80 -7.339111694e+00 -7.339111694e+00 -2.839147412e+01 -2.839147412e+01 -2.901626542e-01 -2.901626542e-01 -3.516457746e+01 -3.516457746e+01 1.82 -5.634482032e+00 -5.634482032e+00 -2.380677147e+01 -2.380677147e+01 -2.350307220e-01 -2.350307220e-01 -3.026080828e+01 -3.026080828e+01 1.84 -4.421452069e+00 -4.421452069e+00 -1.951458447e+01 -1.951458447e+01 -2.517455730e-01 -2.517455730e-01 -2.569853128e+01 -2.569853128e+01 1.86 -3.562881179e+00 -3.562881179e+00 -1.551592516e+01 -1.551592516e+01 -3.024505086e-01 -3.024505086e-01 -2.144813039e+01 -2.144813039e+01 1.88 -2.949965056e+00 -2.949965056e+00 -1.210017385e+01 -1.210017385e+01 -3.677199344e-01 -3.677199344e-01 -1.750392802e+01 -1.750392802e+01 1.90 -2.513108510e+00 -2.513108510e+00 -9.271439337e+00 -9.271439337e+00 -4.391356443e-01 -4.391356443e-01 -1.407235705e+01 -1.407235705e+01 1.92 -2.211000736e+00 -2.211000736e+00 -7.010909871e+00 -7.010909871e+00 -5.195298555e-01 -5.195298555e-01 -1.109244743e+01 -1.109244743e+01 1.94 -2.016167466e+00 -2.016167466e+00 -5.381970872e+00 -5.381970872e+00 -6.115721384e-01 -6.115721384e-01 -8.460791939e+00 -8.460791939e+00 1.96 -1.905938166e+00 -1.905938166e+00 -4.246779201e+00 -4.246779201e+00 -7.146331948e-01 -7.146331948e-01 -6.191606015e+00 -6.191606015e+00 1.98 -1.860384166e+00 -1.860384166e+00 -3.471672386e+00 -3.471672386e+00 -8.270731443e-01 -8.270731443e-01 -4.522135716e+00 -4.522135716e+00 2.00 -1.863315397e+00 -1.863315397e+00 -2.957945161e+00 -2.957945161e+00 -9.474662570e-01 -9.474662570e-01 -3.393646383e+00 -3.393646383e+00 2.02 -1.902457252e+00 -1.902457252e+00 -2.640423465e+00 -2.640423465e+00 -1.074801571e+00 -1.074801571e+00 -2.700287689e+00 -2.700287689e+00 2.04 -1.970054346e+00 -1.970054346e+00 -2.477231036e+00 -2.477231036e+00 -1.208069794e+00 -1.208069794e+00 -2.334975142e+00 -2.334975142e+00 2.06 -2.060245676e+00 -2.060245676e+00 -2.437594649e+00 -2.437594649e+00 -1.345883589e+00 -1.345883589e+00 -2.202123984e+00 -2.202123984e+00 2.08 -2.166950087e+00 -2.166950087e+00 -2.492925412e+00 -2.492925412e+00 -1.486564051e+00 -1.486564051e+00 -2.224783305e+00 -2.224783305e+00 2.10 -2.282336320e+00 -2.282336320e+00 -2.615080198e+00 -2.615080198e+00 -1.628396503e+00 -1.628396503e+00 -2.345069544e+00 -2.345069544e+00 2.12 -2.413935761e+00 -2.413935761e+00 -2.777615326e+00 -2.777615326e+00 -1.769660337e+00 -1.769660337e+00 -2.521025301e+00 -2.521025301e+00 2.14 -2.571033496e+00 -2.571033496e+00 -2.959819493e+00 -2.959819493e+00 -1.908647555e+00 -1.908647555e+00 -2.723494751e+00 -2.723494751e+00 2.16 -2.744445248e+00 -2.744445248e+00 -3.147030829e+00 -3.147030829e+00 -2.041891595e+00 -2.041891595e+00 -2.933237836e+00 -2.933237836e+00 2.18 -2.913713028e+00 -2.913713028e+00 -3.328378281e+00 -3.328378281e+00 -2.164216140e+00 -2.164216140e+00 -3.136302204e+00 -3.136302204e+00 2.20 -3.066656410e+00 -3.066656410e+00 -3.496320738e+00 -3.496320738e+00 -2.270964245e+00 -2.270964245e+00 -3.321504716e+00 -3.321504716e+00 2.22 -3.196983148e+00 -3.196983148e+00 -3.648027367e+00 -3.648027367e+00 -2.358610278e+00 -2.358610278e+00 -3.481662246e+00 -3.481662246e+00 2.24 -3.302198587e+00 -3.302198587e+00 -3.783351260e+00 -3.783351260e+00 -2.425611280e+00 -2.425611280e+00 -3.615920115e+00 -3.615920115e+00 2.26 -3.384781806e+00 -3.384781806e+00 -3.902127562e+00 -3.902127562e+00 -2.471105022e+00 -2.471105022e+00 -3.730882687e+00 -3.730882687e+00 2.28 -3.448025321e+00 -3.448025321e+00 -4.004675173e+00 -4.004675173e+00 -2.494768511e+00 -2.494768511e+00 -3.834781828e+00 -3.834781828e+00 2.30 -3.494303925e+00 -3.494303925e+00 -4.091935422e+00 -4.091935422e+00 -2.497377351e+00 -2.497377351e+00 -3.934167346e+00 -3.934167346e+00 2.32 -3.525423783e+00 -3.525423783e+00 -4.164699029e+00 -4.164699029e+00 -2.481388482e+00 -2.481388482e+00 -4.029324616e+00 -4.029324616e+00 2.34 -3.542930645e+00 -3.542930645e+00 -4.223126087e+00 -4.223126087e+00 -2.451143160e+00 -2.451143160e+00 -4.116776239e+00 -4.116776239e+00 2.36 -3.548190623e+00 -3.548190623e+00 -4.267667464e+00 -4.267667464e+00 -2.412320514e+00 -2.412320514e+00 -4.193453397e+00 -4.193453397e+00 2.38 -3.542535055e+00 -3.542535055e+00 -4.299285696e+00 -4.299285696e+00 -2.370439820e+00 -2.370439820e+00 -4.257505664e+00 -4.257505664e+00 2.40 -3.527395183e+00 -3.527395183e+00 -4.319334294e+00 -4.319334294e+00 -2.329195948e+00 -2.329195948e+00 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