# 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 = CoFe2Zr # 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 2.143806894e+02 2.143806894e+02 1.30 1.964675091e+02 1.964675091e+02 1.32 1.799991463e+02 1.799991463e+02 1.34 1.648487143e+02 1.648487143e+02 1.36 1.509038336e+02 1.509038336e+02 1.38 1.380651422e+02 1.380651422e+02 1.40 1.262443169e+02 1.262443169e+02 1.42 1.153618287e+02 1.153618287e+02 1.44 1.053450739e+02 1.053450739e+02 1.46 9.612752197e+01 9.612752197e+01 1.48 8.764857694e+01 8.764857694e+01 1.50 7.985308365e+01 7.985308365e+01 1.52 7.269008283e+01 7.269008283e+01 1.54 6.611143697e+01 6.611143697e+01 1.56 6.007116736e+01 6.007116736e+01 1.58 5.452563691e+01 5.452563691e+01 1.60 4.943395939e+01 4.943395939e+01 1.62 4.475815442e+01 4.475815442e+01 1.64 4.046304558e+01 4.046304558e+01 1.66 3.651614382e+01 3.651614382e+01 1.68 3.288765264e+01 3.288765264e+01 1.70 2.955059529e+01 2.955059529e+01 1.72 2.648078557e+01 2.648078557e+01 1.74 2.365676415e+01 2.365676415e+01 1.76 2.105977998e+01 2.105977998e+01 1.78 1.867232220e+01 1.867232220e+01 1.80 1.647883842e+01 1.647883842e+01 1.82 1.446496812e+01 1.446496812e+01 1.84 1.261707298e+01 1.261707298e+01 1.86 1.092244472e+01 1.092244472e+01 1.88 9.369251973e+00 9.369251973e+00 1.90 7.946542716e+00 7.946542716e+00 1.92 6.644187549e+00 6.644187549e+00 1.94 5.452773456e+00 5.452773456e+00 1.96 4.363456611e+00 4.363456611e+00 1.98 3.367899662e+00 3.367899662e+00 2.00 2.458283912e+00 2.458283912e+00 2.02 1.627357014e+00 1.627357014e+00 2.04 8.684770560e-01 8.684770560e-01 2.06 1.756213429e-01 1.756213429e-01 2.08 -4.566484574e-01 -4.566484574e-01 2.10 -1.033241340e+00 -1.033241340e+00 2.12 -1.558589597e+00 -1.558589597e+00 2.14 -2.036697841e+00 -2.036697841e+00 2.16 -2.471172375e+00 -2.471172375e+00 2.18 -2.865263848e+00 -2.865263848e+00 2.20 -3.221915949e+00 -3.221915949e+00 2.22 -3.543834527e+00 -3.543834527e+00 2.24 -3.833539865e+00 -3.833539865e+00 2.26 -4.093393731e+00 -4.093393731e+00 2.28 -4.325612175e+00 -4.325612175e+00 2.30 -4.532242639e+00 -4.532242639e+00 2.32 -4.715184078e+00 -4.715184078e+00 2.34 -4.876170071e+00 -4.876170071e+00 2.36 -5.016802298e+00 -5.016802298e+00 2.38 -5.138568234e+00 -5.138568234e+00 2.40 -5.242863814e+00 -5.242863814e+00 2.42 -5.331085444e+00 -5.331085444e+00 2.44 -5.404491702e+00 -5.404491702e+00 2.46 -5.464226738e+00 -5.464226738e+00 2.48 -5.511428311e+00 -5.511428311e+00 2.50 -5.547214010e+00 -5.547214010e+00 2.52 -5.572662786e+00 -5.572662786e+00 2.54 -5.588796034e+00 -5.588796034e+00 2.56 -5.596471408e+00 -5.596471408e+00 2.58 -5.596306038e+00 -5.596306038e+00 2.60 -5.588874956e+00 -5.588874956e+00 2.62 -5.574747081e+00 -5.574747081e+00 2.64 -5.554452094e+00 -5.554452094e+00 2.66 -5.528402432e+00 -5.528402432e+00 2.68 -5.496980589e+00 -5.496980589e+00 2.70 -5.460540933e+00 -5.460540933e+00 2.72 -5.419415260e+00 -5.419415260e+00 2.74 -5.373918190e+00 -5.373918190e+00 2.76 -5.324350277e+00 -5.324350277e+00 2.78 -5.270984846e+00 -5.270984846e+00 2.80 -5.214032604e+00 -5.214032604e+00 2.82 -5.153678826e+00 -5.153678826e+00 2.84 -5.090108397e+00 -5.090108397e+00 2.86 -5.023493381e+00 -5.023493381e+00 2.88 -4.954007560e+00 -4.954007560e+00 2.90 -4.881827344e+00 -4.881827344e+00 2.92 -4.807132657e+00 -4.807132657e+00 2.94 -4.730107681e+00 -4.730107681e+00 2.96 -4.650941276e+00 -4.650941276e+00 2.98 -4.569817360e+00 -4.569817360e+00 3.00 -4.486785697e+00 -4.486785697e+00 3.02 -4.401833885e+00 -4.401833885e+00 3.04 -4.315002286e+00 -4.315002286e+00 3.06 -4.226382199e+00 -4.226382199e+00 3.08 -4.136087169e+00 -4.136087169e+00 3.10 -4.044255594e+00 -4.044255594e+00 3.12 -3.951041426e+00 -3.951041426e+00 3.14 -3.856622810e+00 -3.856622810e+00 3.16 -3.761192319e+00 -3.761192319e+00 3.18 -3.664971813e+00 -3.664971813e+00 3.20 -3.568215061e+00 -3.568215061e+00 3.22 -3.471211354e+00 -3.471211354e+00 3.24 -3.374286392e+00 -3.374286392e+00 3.26 -3.277799466e+00 -3.277799466e+00 3.28 -3.182136131e+00 -3.182136131e+00 3.30 -3.087695872e+00 -3.087695872e+00 3.32 -2.994875188e+00 -2.994875188e+00 3.34 -2.904047653e+00 -2.904047653e+00 3.36 -2.815543764e+00 -2.815543764e+00 3.38 -2.729633795e+00 -2.729633795e+00 3.40 -2.646515151e+00 -2.646515151e+00 3.42 -2.566313616e+00 -2.566313616e+00 3.44 -2.489077543e+00 -2.489077543e+00 3.46 -2.414792299e+00 -2.414792299e+00 3.48 -2.343390269e+00 -2.343390269e+00 3.50 -2.274763747e+00 -2.274763747e+00 3.52 -2.208777422e+00 -2.208777422e+00 3.54 -2.145279363e+00 -2.145279363e+00 3.56 -2.084110040e+00 -2.084110040e+00 3.58 -2.025109239e+00 -2.025109239e+00 3.60 -1.968121084e+00 -1.968121084e+00 3.62 -1.912997439e+00 -1.912997439e+00 3.64 -1.859600080e+00 -1.859600080e+00 3.66 -1.807801983e+00 -1.807801983e+00 3.68 -1.757488045e+00 -1.757488045e+00 3.70 -1.708555524e+00 -1.708555524e+00 3.72 -1.660914375e+00 -1.660914375e+00 3.74 -1.614487609e+00 -1.614487609e+00 3.76 -1.569211688e+00 -1.569211688e+00 3.78 -1.525036869e+00 -1.525036869e+00 3.80 -1.481927311e+00 -1.481927311e+00 3.82 -1.439860671e+00 -1.439860671e+00 3.84 -1.398826927e+00 -1.398826927e+00 3.86 -1.358826214e+00 -1.358826214e+00 3.88 -1.319865681e+00 -1.319865681e+00 3.90 -1.281955581e+00 -1.281955581e+00 3.92 -1.245103679e+00 -1.245103679e+00 3.94 -1.209317359e+00 -1.209317359e+00 3.96 -1.174591327e+00 -1.174591327e+00 3.98 -1.140912683e+00 -1.140912683e+00 4.00 -1.108258994e+00 -1.108258994e+00 4.02 -1.076599371e+00 -1.076599371e+00 4.04 -1.045896387e+00 -1.045896387e+00 4.06 -1.016108390e+00 -1.016108390e+00 4.08 -9.871918350e-01 -9.871918350e-01 4.10 -9.590986877e-01 -9.590986877e-01 4.12 -9.317977252e-01 -9.317977252e-01 4.14 -9.052449111e-01 -9.052449111e-01 4.16 -8.794060591e-01 -8.794060591e-01 4.18 -8.542516144e-01 -8.542516144e-01 4.20 -8.297569226e-01 -8.297569226e-01 4.22 -8.059022257e-01 -8.059022257e-01 4.24 -7.826723863e-01 -7.826723863e-01 4.26 -7.600563415e-01 -7.600563415e-01 4.28 -7.380462948e-01 -7.380462948e-01 4.30 -7.166366937e-01 -7.166366937e-01 4.32 -6.958230758e-01 -6.958230758e-01 4.34 -6.756009022e-01 -6.756009022e-01 4.36 -6.559644586e-01 -6.559644586e-01 4.38 -6.369059390e-01 -6.369059390e-01 4.40 -6.184155023e-01 -6.184155023e-01 4.42 -6.004807251e-01 -6.004807251e-01 4.44 -5.830867072e-01 -5.830867072e-01 4.46 -5.662164714e-01 -5.662164714e-01 4.48 -5.498514880e-01 -5.498514880e-01 4.50 -5.339722336e-01 -5.339722336e-01 4.52 -5.185587116e-01 -5.185587116e-01 4.54 -5.035908904e-01 -5.035908904e-01 4.56 -4.890490402e-01 -4.890490402e-01 4.58 -4.749139706e-01 -4.749139706e-01 4.60 -4.611671819e-01 -4.611671819e-01 4.62 -4.477909516e-01 -4.477909516e-01 4.64 -4.347683795e-01 -4.347683795e-01 4.66 -4.220834110e-01 -4.220834110e-01 4.68 -4.097208588e-01 -4.097208588e-01 4.70 -3.976664370e-01 -3.976664370e-01 4.72 -3.859068184e-01 -3.859068184e-01 4.74 -3.744297213e-01 -3.744297213e-01 4.76 -3.632240279e-01 -3.632240279e-01 4.78 -3.522799291e-01 -3.522799291e-01 4.80 -3.415859099e-01 -3.415859099e-01 4.82 -3.311421600e-01 -3.311421600e-01 4.84 -3.209399328e-01 -3.209399328e-01 4.86 -3.109761695e-01 -3.109761695e-01 4.88 -3.012496706e-01 -3.012496706e-01 4.90 -2.917609906e-01 -2.917609906e-01 4.92 -2.825122032e-01 -2.825122032e-01 4.94 -2.735065319e-01 -2.735065319e-01 4.96 -2.647478610e-01 -2.647478610e-01 4.98 -2.562401629e-01 -2.562401629e-01 5.00 -2.479868928e-01 -2.479868928e-01 5.02 -2.399904149e-01 -2.399904149e-01 5.04 -2.322515198e-01 -2.322515198e-01 5.06 -2.247690830e-01 -2.247690830e-01 5.08 -2.175398932e-01 -2.175398932e-01 5.10 -2.105586545e-01 -2.105586545e-01 5.12 -2.038181455e-01 -2.038181455e-01 5.14 -1.973095010e-01 -1.973095010e-01 5.16 -1.910225752e-01 -1.910225752e-01 5.18 -1.849463442e-01 -1.849463442e-01 5.20 -1.790693115e-01 -1.790693115e-01 5.22 -1.733798911e-01 -1.733798911e-01 5.24 -1.678667499e-01 -1.678667499e-01 5.26 -1.625191030e-01 -1.625191030e-01 5.28 -1.573269578e-01 -1.573269578e-01 5.30 -1.522813107e-01 -1.522813107e-01 5.32 -1.473742968e-01 -1.473742968e-01 5.34 -1.425992946e-01 -1.425992946e-01 5.36 -1.379509862e-01 -1.379509862e-01 5.38 -1.334253687e-01 -1.334253687e-01 5.40 -1.290197155e-01 -1.290197155e-01 5.42 -1.247324822e-01 -1.247324822e-01 5.44 -1.205631580e-01 -1.205631580e-01 5.46 -1.165120638e-01 -1.165120638e-01 5.48 -1.125801054e-01 -1.125801054e-01 5.50 -1.087684970e-01 -1.087684970e-01 5.52 -1.050784720e-01 -1.050784720e-01 5.54 -1.015110040e-01 -1.015110040e-01 5.56 -9.806655904e-02 -9.806655904e-02 5.58 -9.474489784e-02 -9.474489784e-02 5.60 -9.154486341e-02 -9.154486341e-02 5.62 -8.846443079e-02 -8.846443079e-02 5.64 -8.550077983e-02 -8.550077983e-02 5.66 -8.265021339e-02 -8.265021339e-02 5.68 -7.990826299e-02 -7.990826299e-02 5.70 -7.726982335e-02 -7.726982335e-02 5.72 -7.472930001e-02 -7.472930001e-02 5.74 -7.228075644e-02 -7.228075644e-02 5.76 -6.991805064e-02 -6.991805064e-02 5.78 -6.763495443e-02 -6.763495443e-02 5.80 -6.542525230e-02 -6.542525230e-02 5.82 -6.328281908e-02 -6.328281908e-02 5.84 -6.120167829e-02 -6.120167829e-02 5.86 -5.917604369e-02 -5.917604369e-02 5.88 -5.720034797e-02 -5.720034797e-02 5.90 -5.526926238e-02 -5.526926238e-02 5.92 -5.337771116e-02 -5.337771116e-02 5.94 -5.152088431e-02 -5.152088431e-02 5.96 -4.969425199e-02 -4.969425199e-02 5.98 -4.789358313e-02 -4.789358313e-02 6.00 -4.611497036e-02 -4.611497036e-02