# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Deluigi-O-R-Pasianot-R-C-Valencia-F-J-et-al--Fe-Ni-Cr-Co-Cu # implementation = 2021--Deluigi-O-R--Fe-Ni-Cr-Co-Cu--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 -3.137636673e+02 -3.137636673e+02 nan nan 0.82 nan nan nan nan -3.049821505e+02 -3.049821505e+02 nan nan 0.84 nan nan nan nan -2.942474098e+02 -2.942474098e+02 nan nan 0.86 nan nan nan nan -2.815864237e+02 -2.815864237e+02 nan nan 0.88 nan nan nan nan -2.672573327e+02 -2.672573327e+02 nan nan 0.90 -3.842115126e+02 -3.842115126e+02 nan nan -2.510775761e+02 -2.510775761e+02 nan nan 0.92 -3.668322026e+02 -3.668322026e+02 nan nan -2.339227479e+02 -2.339227479e+02 nan nan 0.94 -3.496606508e+02 -3.496606508e+02 nan nan -2.178074602e+02 -2.178074602e+02 nan nan 0.96 -3.327967173e+02 -3.327967173e+02 nan nan -2.030201465e+02 -2.030201465e+02 nan nan 0.98 -3.157237771e+02 -3.157237771e+02 nan nan -1.888096108e+02 -1.888096108e+02 nan nan 1.00 -2.986744819e+02 -2.986744819e+02 nan nan -1.748915900e+02 -1.748915900e+02 nan nan 1.02 -2.826962434e+02 -2.826962434e+02 -3.536981094e+02 -3.536981094e+02 -1.613962509e+02 -1.613962509e+02 -3.704014589e+02 -3.704014589e+02 1.04 -2.677879434e+02 -2.677879434e+02 -3.367332459e+02 -3.367332459e+02 -1.485548724e+02 -1.485548724e+02 -3.527911482e+02 -3.527911482e+02 1.06 -2.539205092e+02 -2.539205092e+02 -3.216375871e+02 -3.216375871e+02 -1.366041716e+02 -1.366041716e+02 -3.365509666e+02 -3.365509666e+02 1.08 -2.417946906e+02 -2.417946906e+02 -3.078607387e+02 -3.078607387e+02 -1.256684599e+02 -1.256684599e+02 -3.215555159e+02 -3.215555159e+02 1.10 -2.313757506e+02 -2.313757506e+02 -2.950008484e+02 -2.950008484e+02 -1.158263419e+02 -1.158263419e+02 -3.076777902e+02 -3.076777902e+02 1.12 -2.217346116e+02 -2.217346116e+02 -2.830482653e+02 -2.830482653e+02 -1.072055987e+02 -1.072055987e+02 -2.945449564e+02 -2.945449564e+02 1.14 -2.120716222e+02 -2.120716222e+02 -2.719169217e+02 -2.719169217e+02 -9.961823406e+01 -9.961823406e+01 -2.817485671e+02 -2.817485671e+02 1.16 -2.020816249e+02 -2.020816249e+02 -2.613980026e+02 -2.613980026e+02 -9.249147148e+01 -9.249147148e+01 -2.692593486e+02 -2.692593486e+02 1.18 -1.919523364e+02 -1.919523364e+02 -2.510402967e+02 -2.510402967e+02 -8.541688637e+01 -8.541688637e+01 -2.574500015e+02 -2.574500015e+02 1.20 -1.819580341e+02 -1.819580341e+02 -2.403375787e+02 -2.403375787e+02 -7.827538778e+01 -7.827538778e+01 -2.466034341e+02 -2.466034341e+02 1.22 -1.721148258e+02 -1.721148258e+02 -2.294030213e+02 -2.294030213e+02 -7.119597708e+01 -7.119597708e+01 -2.366392930e+02 -2.366392930e+02 1.24 -1.623028501e+02 -1.623028501e+02 -2.189535817e+02 -2.189535817e+02 -6.459766695e+01 -6.459766695e+01 -2.272638645e+02 -2.272638645e+02 1.26 -1.525050004e+02 -1.525050004e+02 -2.094910500e+02 -2.094910500e+02 -5.892765723e+01 -5.892765723e+01 -2.182847788e+02 -2.182847788e+02 1.28 -1.428800430e+02 -1.428800430e+02 -2.010082595e+02 -2.010082595e+02 -5.430193274e+01 -5.430193274e+01 -2.097634031e+02 -2.097634031e+02 1.30 -1.337482141e+02 -1.337482141e+02 -1.932464277e+02 -1.932464277e+02 -5.041938194e+01 -5.041938194e+01 -2.017686033e+02 -2.017686033e+02 1.32 -1.252981812e+02 -1.252981812e+02 -1.860791374e+02 -1.860791374e+02 -4.694045778e+01 -4.694045778e+01 -1.941898312e+02 -1.941898312e+02 1.34 -1.174413746e+02 -1.174413746e+02 -1.793843311e+02 -1.793843311e+02 -4.370442748e+01 -4.370442748e+01 -1.868623223e+02 -1.868623223e+02 1.36 -1.099279869e+02 -1.099279869e+02 -1.728278876e+02 -1.728278876e+02 -4.062443088e+01 -4.062443088e+01 -1.797230589e+02 -1.797230589e+02 1.38 -1.025011563e+02 -1.025011563e+02 -1.660293390e+02 -1.660293390e+02 -3.757510823e+01 -3.757510823e+01 -1.727467429e+02 -1.727467429e+02 1.40 -9.503152592e+01 -9.503152592e+01 -1.588450150e+02 -1.588450150e+02 -3.442673124e+01 -3.442673124e+01 -1.657536094e+02 -1.657536094e+02 1.42 -8.760474787e+01 -8.760474787e+01 -1.513861970e+02 -1.513861970e+02 -3.110732505e+01 -3.110732505e+01 -1.585179234e+02 -1.585179234e+02 1.44 -8.049286077e+01 -8.049286077e+01 -1.438189016e+02 -1.438189016e+02 -2.761972479e+01 -2.761972479e+01 -1.510262856e+02 -1.510262856e+02 1.46 -7.397150239e+01 -7.397150239e+01 -1.361824443e+02 -1.361824443e+02 -2.402926120e+01 -2.402926120e+01 -1.434573825e+02 -1.434573825e+02 1.48 -6.817529955e+01 -6.817529955e+01 -1.283956425e+02 -1.283956425e+02 -2.042617066e+01 -2.042617066e+01 -1.359727521e+02 -1.359727521e+02 1.50 -6.299207573e+01 -6.299207573e+01 -1.204026438e+02 -1.204026438e+02 -1.701222112e+01 -1.701222112e+01 -1.286136369e+02 -1.286136369e+02 1.52 -5.820319403e+01 -5.820319403e+01 -1.122057323e+02 -1.122057323e+02 -1.409979393e+01 -1.409979393e+01 -1.213876106e+02 -1.213876106e+02 1.54 -5.363611937e+01 -5.363611937e+01 -1.038801279e+02 -1.038801279e+02 -1.146985227e+01 -1.146985227e+01 -1.143195576e+02 -1.143195576e+02 1.56 -4.918611817e+01 -4.918611817e+01 -9.561911971e+01 -9.561911971e+01 -8.995109470e+00 -8.995109470e+00 -1.074022479e+02 -1.074022479e+02 1.58 -4.478828904e+01 -4.478828904e+01 -8.772407146e+01 -8.772407146e+01 -6.679596859e+00 -6.679596859e+00 -1.005847744e+02 -1.005847744e+02 1.60 -4.041539012e+01 -4.041539012e+01 -8.044518243e+01 -8.044518243e+01 -4.622107230e+00 -4.622107230e+00 -9.383755868e+01 -9.383755868e+01 1.62 -3.607166627e+01 -3.607166627e+01 -7.381641655e+01 -7.381641655e+01 -3.098851132e+00 -3.098851132e+00 -8.717851152e+01 -8.717851152e+01 1.64 -3.178339008e+01 -3.178339008e+01 -6.770736100e+01 -6.770736100e+01 -2.021789406e+00 -2.021789406e+00 -8.063532703e+01 -8.063532703e+01 1.66 -2.757980012e+01 -2.757980012e+01 -6.198300012e+01 -6.198300012e+01 -1.256569377e+00 -1.256569377e+00 -7.421372873e+01 -7.421372873e+01 1.68 -2.348141733e+01 -2.348141733e+01 -5.656593980e+01 -5.656593980e+01 -7.130924813e-01 -7.130924813e-01 -6.790473960e+01 -6.790473960e+01 1.70 -1.968740461e+01 -1.968740461e+01 -5.139064143e+01 -5.139064143e+01 -3.348666082e-01 -3.348666082e-01 -6.170808507e+01 -6.170808507e+01 1.72 -1.642903449e+01 -1.642903449e+01 -4.638545200e+01 -4.638545200e+01 -8.528177613e-02 -8.528177613e-02 -5.565061649e+01 -5.565061649e+01 1.74 -1.357938434e+01 -1.357938434e+01 -4.148369944e+01 -4.148369944e+01 5.645679197e-02 5.645679197e-02 -4.978866486e+01 -4.978866486e+01 1.76 -1.103286606e+01 -1.103286606e+01 -3.666540096e+01 -3.666540096e+01 1.092826760e-01 1.092826760e-01 -4.420365979e+01 -4.420365979e+01 1.78 -8.731470601e+00 -8.731470601e+00 -3.195799501e+01 -3.195799501e+01 1.119098767e-01 1.119098767e-01 -3.895708768e+01 -3.895708768e+01 1.80 -6.697393720e+00 -6.697393720e+00 -2.741772048e+01 -2.741772048e+01 1.037505974e-01 1.037505974e-01 -3.405912875e+01 -3.405912875e+01 1.82 -5.172838762e+00 -5.172838762e+00 -2.309787201e+01 -2.309787201e+01 5.220590869e-02 5.220590869e-02 -2.947326837e+01 -2.947326837e+01 1.84 -4.101227253e+00 -4.101227253e+00 -1.901754963e+01 -1.901754963e+01 -4.971671247e-02 -4.971671247e-02 -2.515931884e+01 -2.515931884e+01 1.86 -3.350868772e+00 -3.350868772e+00 -1.518785738e+01 -1.518785738e+01 -1.671012475e-01 -1.671012475e-01 -2.109669039e+01 -2.109669039e+01 1.88 -2.817965463e+00 -2.817965463e+00 -1.190072234e+01 -1.190072234e+01 -2.826371298e-01 -2.826371298e-01 -1.729100258e+01 -1.729100258e+01 1.90 -2.437587988e+00 -2.437587988e+00 -9.159739222e+00 -9.159739222e+00 -3.900968714e-01 -3.900968714e-01 -1.395560316e+01 -1.395560316e+01 1.92 -2.172812193e+00 -2.172812193e+00 -6.955440341e+00 -6.955440341e+00 -4.946002006e-01 -4.946002006e-01 -1.103513237e+01 -1.103513237e+01 1.94 -2.000310170e+00 -2.000310170e+00 -5.359278012e+00 -5.359278012e+00 -6.011829614e-01 -6.011829614e-01 -8.437414722e+00 -8.437414722e+00 1.96 -1.901362346e+00 -1.901362346e+00 -4.240308593e+00 -4.240308593e+00 -7.116282971e-01 -7.116282971e-01 -6.184963421e+00 -6.184963421e+00 1.98 -1.859852297e+00 -1.859852297e+00 -3.470926999e+00 -3.470926999e+00 -8.267234761e-01 -8.267234761e-01 -4.521372873e+00 -4.521372873e+00 2.00 -1.863315402e+00 -1.863315402e+00 -2.957945163e+00 -2.957945163e+00 -9.474662604e-01 -9.474662604e-01 -3.393646384e+00 -3.393646384e+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 -2.437594648e+00 -2.437594648e+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 -2.615080197e+00 -2.615080197e+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 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