# 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 = FeNi2Zr # 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 1.743308713e+02 1.743308713e+02 1.30 1.598862146e+02 1.598862146e+02 1.32 1.465945202e+02 1.465945202e+02 1.34 1.343531986e+02 1.343531986e+02 1.36 1.230720866e+02 1.230720866e+02 1.38 1.126734449e+02 1.126734449e+02 1.40 1.030897295e+02 1.030897295e+02 1.42 9.426045229e+01 9.426045229e+01 1.44 8.612962990e+01 8.612962990e+01 1.46 7.864447800e+01 7.864447800e+01 1.48 7.175509454e+01 7.175509454e+01 1.50 6.541443503e+01 6.541443503e+01 1.52 5.957837290e+01 5.957837290e+01 1.54 5.420584768e+01 5.420584768e+01 1.56 4.925903795e+01 4.925903795e+01 1.58 4.470340238e+01 4.470340238e+01 1.60 4.050753824e+01 4.050753824e+01 1.62 3.664294060e+01 3.664294060e+01 1.64 3.308371251e+01 3.308371251e+01 1.66 2.980618225e+01 2.980618225e+01 1.68 2.678846548e+01 2.678846548e+01 1.70 2.401016876e+01 2.401016876e+01 1.72 2.145221006e+01 2.145221006e+01 1.74 1.909727892e+01 1.909727892e+01 1.76 1.692902373e+01 1.692902373e+01 1.78 1.493226775e+01 1.493226775e+01 1.80 1.309333354e+01 1.309333354e+01 1.82 1.140016369e+01 1.140016369e+01 1.84 9.841988635e+00 9.841988635e+00 1.86 8.409075774e+00 8.409075774e+00 1.88 7.092507216e+00 7.092507216e+00 1.90 5.884016067e+00 5.884016067e+00 1.92 4.775843832e+00 4.775843832e+00 1.94 3.760630904e+00 3.760630904e+00 1.96 2.831337433e+00 2.831337433e+00 1.98 1.981259120e+00 1.981259120e+00 2.00 1.204089540e+00 1.204089540e+00 2.02 4.939748662e-01 4.939748662e-01 2.04 -1.544612058e-01 -1.544612058e-01 2.06 -7.461257480e-01 -7.461257480e-01 2.08 -1.285492530e+00 -1.285492530e+00 2.10 -1.776637384e+00 -1.776637384e+00 2.12 -2.223268806e+00 -2.223268806e+00 2.14 -2.628754541e+00 -2.628754541e+00 2.16 -2.996140061e+00 -2.996140061e+00 2.18 -3.328191654e+00 -3.328191654e+00 2.20 -3.627452227e+00 -3.627452227e+00 2.22 -3.896316136e+00 -3.896316136e+00 2.24 -4.137079125e+00 -4.137079125e+00 2.26 -4.351953286e+00 -4.351953286e+00 2.28 -4.543065072e+00 -4.543065072e+00 2.30 -4.712414804e+00 -4.712414804e+00 2.32 -4.861885296e+00 -4.861885296e+00 2.34 -4.993209849e+00 -4.993209849e+00 2.36 -5.107976793e+00 -5.107976793e+00 2.38 -5.207609250e+00 -5.207609250e+00 2.40 -5.293351264e+00 -5.293351264e+00 2.42 -5.366342481e+00 -5.366342481e+00 2.44 -5.427476206e+00 -5.427476206e+00 2.46 -5.477467473e+00 -5.477467473e+00 2.48 -5.516989344e+00 -5.516989344e+00 2.50 -5.546692411e+00 -5.546692411e+00 2.52 -5.567212998e+00 -5.567212998e+00 2.54 -5.579172771e+00 -5.579172771e+00 2.56 -5.583112277e+00 -5.583112277e+00 2.58 -5.579383979e+00 -5.579383979e+00 2.60 -5.568334562e+00 -5.568334562e+00 2.62 -5.550334940e+00 -5.550334940e+00 2.64 -5.525785240e+00 -5.525785240e+00 2.66 -5.495101873e+00 -5.495101873e+00 2.68 -5.458729272e+00 -5.458729272e+00 2.70 -5.417134416e+00 -5.417134416e+00 2.72 -5.370810222e+00 -5.370810222e+00 2.74 -5.320268988e+00 -5.320268988e+00 2.76 -5.266029640e+00 -5.266029640e+00 2.78 -5.208598822e+00 -5.208598822e+00 2.80 -5.148465306e+00 -5.148465306e+00 2.82 -5.086071446e+00 -5.086071446e+00 2.84 -5.021757121e+00 -5.021757121e+00 2.86 -4.955651082e+00 -4.955651082e+00 2.88 -4.887859059e+00 -4.887859059e+00 2.90 -4.818505054e+00 -4.818505054e+00 2.92 -4.747724885e+00 -4.747724885e+00 2.94 -4.675659490e+00 -4.675659490e+00 2.96 -4.602448514e+00 -4.602448514e+00 2.98 -4.528204281e+00 -4.528204281e+00 3.00 -4.452948590e+00 -4.452948590e+00 3.02 -4.376689352e+00 -4.376689352e+00 3.04 -4.299441771e+00 -4.299441771e+00 3.06 -4.221235279e+00 -4.221235279e+00 3.08 -4.142101960e+00 -4.142101960e+00 3.10 -4.062087834e+00 -4.062087834e+00 3.12 -3.981251347e+00 -3.981251347e+00 3.14 -3.899675890e+00 -3.899675890e+00 3.16 -3.817457961e+00 -3.817457961e+00 3.18 -3.734719768e+00 -3.734719768e+00 3.20 -3.651607513e+00 -3.651607513e+00 3.22 -3.568291525e+00 -3.568291525e+00 3.24 -3.484965394e+00 -3.484965394e+00 3.26 -3.401843773e+00 -3.401843773e+00 3.28 -3.319158201e+00 -3.319158201e+00 3.30 -3.237150177e+00 -3.237150177e+00 3.32 -3.156061202e+00 -3.156061202e+00 3.34 -3.076120431e+00 -3.076120431e+00 3.36 -2.997531675e+00 -2.997531675e+00 3.38 -2.920462084e+00 -2.920462084e+00 3.40 -2.845033383e+00 -2.845033383e+00 3.42 -2.771324160e+00 -2.771324160e+00 3.44 -2.699363879e+00 -2.699363879e+00 3.46 -2.629144120e+00 -2.629144120e+00 3.48 -2.560624689e+00 -2.560624689e+00 3.50 -2.493741884e+00 -2.493741884e+00 3.52 -2.428416359e+00 -2.428416359e+00 3.54 -2.364559997e+00 -2.364559997e+00 3.56 -2.302081516e+00 -2.302081516e+00 3.58 -2.240890817e+00 -2.240890817e+00 3.60 -2.180902169e+00 -2.180902169e+00 3.62 -2.122036406e+00 -2.122036406e+00 3.64 -2.064222379e+00 -2.064222379e+00 3.66 -2.007397895e+00 -2.007397895e+00 3.68 -1.951510412e+00 -1.951510412e+00 3.70 -1.896517749e+00 -1.896517749e+00 3.72 -1.842388974e+00 -1.842388974e+00 3.74 -1.789105594e+00 -1.789105594e+00 3.76 -1.736662960e+00 -1.736662960e+00 3.78 -1.685071689e+00 -1.685071689e+00 3.80 -1.634358686e+00 -1.634358686e+00 3.82 -1.584567257e+00 -1.584567257e+00 3.84 -1.535755792e+00 -1.535755792e+00 3.86 -1.487994630e+00 -1.487994630e+00 3.88 -1.441361061e+00 -1.441361061e+00 3.90 -1.395932822e+00 -1.395932822e+00 3.92 -1.351779303e+00 -1.351779303e+00 3.94 -1.308961472e+00 -1.308961472e+00 3.96 -1.267515802e+00 -1.267515802e+00 3.98 -1.227458592e+00 -1.227458592e+00 4.00 -1.188783220e+00 -1.188783220e+00 4.02 -1.151461670e+00 -1.151461670e+00 4.04 -1.115447740e+00 -1.115447740e+00 4.06 -1.080681181e+00 -1.080681181e+00 4.08 -1.047092062e+00 -1.047092062e+00 4.10 -1.014600629e+00 -1.014600629e+00 4.12 -9.831383009e-01 -9.831383009e-01 4.14 -9.526225904e-01 -9.526225904e-01 4.16 -9.229785865e-01 -9.229785865e-01 4.18 -8.941351001e-01 -8.941351001e-01 4.20 -8.660255767e-01 -8.660255767e-01 4.22 -8.385887485e-01 -8.385887485e-01 4.24 -8.117691722e-01 -8.117691722e-01 4.26 -7.855177673e-01 -7.855177673e-01 4.28 -7.597924299e-01 -7.597924299e-01 4.30 -7.345587486e-01 -7.345587486e-01 4.32 -7.097908054e-01 -7.097908054e-01 4.34 -6.854719936e-01 -6.854719936e-01 4.36 -6.615957410e-01 -6.615957410e-01 4.38 -6.381659881e-01 -6.381659881e-01 4.40 -6.151972534e-01 -6.151972534e-01 4.42 -5.927141214e-01 -5.927141214e-01 4.44 -5.707500348e-01 -5.707500348e-01 4.46 -5.493453445e-01 -5.493453445e-01 4.48 -5.285446820e-01 -5.285446820e-01 4.50 -5.083938321e-01 -5.083938321e-01 4.52 -4.889363878e-01 -4.889363878e-01 4.54 -4.702105290e-01 -4.702105290e-01 4.56 -4.522462687e-01 -4.522462687e-01 4.58 -4.350634446e-01 -4.350634446e-01 4.60 -4.186706261e-01 -4.186706261e-01 4.62 -4.030649661e-01 -4.030649661e-01 4.64 -3.882329051e-01 -3.882329051e-01 4.66 -3.741515353e-01 -3.741515353e-01 4.68 -3.607903901e-01 -3.607903901e-01 4.70 -3.481134185e-01 -3.481134185e-01 4.72 -3.360809277e-01 -3.360809277e-01 4.74 -3.246511100e-01 -3.246511100e-01 4.76 -3.137821712e-01 -3.137821712e-01 4.78 -3.034332291e-01 -3.034332291e-01 4.80 -2.935618208e-01 -2.935618208e-01 4.82 -2.841377898e-01 -2.841377898e-01 4.84 -2.751228755e-01 -2.751228755e-01 4.86 -2.664854189e-01 -2.664854189e-01 4.88 -2.581965414e-01 -2.581965414e-01 4.90 -2.502300477e-01 -2.502300477e-01 4.92 -2.425622587e-01 -2.425622587e-01 4.94 -2.351718021e-01 -2.351718021e-01 4.96 -2.280393844e-01 -2.280393844e-01 4.98 -2.211475597e-01 -2.211475597e-01 5.00 -2.144805062e-01 -2.144805062e-01 5.02 -2.080238175e-01 -2.080238175e-01 5.04 -2.017643139e-01 -2.017643139e-01 5.06 -1.956898749e-01 -1.956898749e-01 5.08 -1.897892951e-01 -1.897892951e-01 5.10 -1.840521645e-01 -1.840521645e-01 5.12 -1.784687721e-01 -1.784687721e-01 5.14 -1.730300346e-01 -1.730300346e-01 5.16 -1.677274487e-01 -1.677274487e-01 5.18 -1.625530685e-01 -1.625530685e-01 5.20 -1.574995067e-01 -1.574995067e-01 5.22 -1.525599602e-01 -1.525599602e-01 5.24 -1.477282577e-01 -1.477282577e-01 5.26 -1.429989289e-01 -1.429989289e-01 5.28 -1.383672887e-01 -1.383672887e-01 5.30 -1.338295330e-01 -1.338295330e-01 5.32 -1.293828364e-01 -1.293828364e-01 5.34 -1.250254406e-01 -1.250254406e-01 5.36 -1.207567218e-01 -1.207567218e-01 5.38 -1.165772215e-01 -1.165772215e-01 5.40 -1.124886273e-01 -1.124886273e-01 5.42 -1.084936910e-01 -1.084936910e-01 5.44 -1.045960789e-01 -1.045960789e-01 5.46 -1.008001510e-01 -1.008001510e-01 5.48 -9.711067895e-02 -9.711067895e-02 5.50 -9.353251930e-02 -9.353251930e-02 5.52 -9.007026733e-02 -9.007026733e-02 5.54 -8.672791890e-02 -8.672791890e-02 5.56 -8.350857014e-02 -8.350857014e-02 5.58 -8.041418058e-02 -8.041418058e-02 5.60 -7.744523811e-02 -7.744523811e-02 5.62 -7.460095686e-02 -7.460095686e-02 5.64 -7.187948228e-02 -7.187948228e-02 5.66 -6.927765614e-02 -6.927765614e-02 5.68 -6.679118116e-02 -6.679118116e-02 5.70 -6.441482393e-02 -6.441482393e-02 5.72 -6.214263312e-02 -6.214263312e-02 5.74 -5.996815477e-02 -5.996815477e-02 5.76 -5.788463071e-02 -5.788463071e-02 5.78 -5.588517125e-02 -5.588517125e-02 5.80 -5.396289757e-02 -5.396289757e-02 5.82 -5.211105332e-02 -5.211105332e-02 5.84 -5.032308739e-02 -5.032308739e-02 5.86 -4.859271176e-02 -4.859271176e-02 5.88 -4.691393930e-02 -4.691393930e-02 5.90 -4.528110639e-02 -4.528110639e-02 5.92 -4.368888558e-02 -4.368888558e-02 5.94 -4.213229257e-02 -4.213229257e-02 5.96 -4.060669151e-02 -4.060669151e-02 5.98 -3.910780190e-02 -3.910780190e-02 6.00 -3.763170963e-02 -3.763170963e-02