# 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 = CoMgW2 # 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 4.131943393e+02 4.131943393e+02 1.30 3.814591741e+02 3.814591741e+02 1.32 3.522034887e+02 3.522034887e+02 1.34 3.252163280e+02 3.252163280e+02 1.36 3.003018508e+02 3.003018508e+02 1.38 2.772799128e+02 2.772799128e+02 1.40 2.559876275e+02 2.559876275e+02 1.42 2.362800993e+02 2.362800993e+02 1.44 2.180293737e+02 2.180293737e+02 1.46 2.011221298e+02 2.011221298e+02 1.48 1.854572170e+02 1.854572170e+02 1.50 1.709435816e+02 1.709435816e+02 1.52 1.574985782e+02 1.574985782e+02 1.54 1.450466453e+02 1.450466453e+02 1.56 1.335183375e+02 1.335183375e+02 1.58 1.228495469e+02 1.228495469e+02 1.60 1.129807251e+02 1.129807251e+02 1.62 1.038561003e+02 1.038561003e+02 1.64 9.542301189e+01 9.542301189e+01 1.66 8.763147237e+01 8.763147237e+01 1.68 8.043398901e+01 8.043398901e+01 1.70 7.378556241e+01 7.378556241e+01 1.72 6.764370794e+01 6.764370794e+01 1.74 6.196843393e+01 6.196843393e+01 1.76 5.672222882e+01 5.672222882e+01 1.78 5.187014593e+01 5.187014593e+01 1.80 4.738094713e+01 4.738094713e+01 1.82 4.322574488e+01 4.322574488e+01 1.84 3.937797050e+01 3.937797050e+01 1.86 3.581401376e+01 3.581401376e+01 1.88 3.251359677e+01 3.251359677e+01 1.90 2.945843036e+01 2.945843036e+01 1.92 2.663197893e+01 2.663197893e+01 1.94 2.401918588e+01 2.401918588e+01 1.96 2.160606468e+01 2.160606468e+01 1.98 1.937942946e+01 1.937942946e+01 2.00 1.732673020e+01 1.732673020e+01 2.02 1.543594496e+01 1.543594496e+01 2.04 1.369549419e+01 1.369549419e+01 2.06 1.209416911e+01 1.209416911e+01 2.08 1.062109208e+01 1.062109208e+01 2.10 9.265735638e+00 9.265735638e+00 2.12 8.018011438e+00 8.018011438e+00 2.14 6.868413634e+00 6.868413634e+00 2.16 5.808180432e+00 5.808180432e+00 2.18 4.829425486e+00 4.829425486e+00 2.20 3.925202822e+00 3.925202822e+00 2.22 3.089487958e+00 3.089487958e+00 2.24 2.317088093e+00 2.317088093e+00 2.26 1.603508707e+00 1.603508707e+00 2.28 9.448072306e-01 9.448072306e-01 2.30 3.374599515e-01 3.374599515e-01 2.32 -2.217487270e-01 -2.217487270e-01 2.34 -7.358043868e-01 -7.358043868e-01 2.36 -1.207515721e+00 -1.207515721e+00 2.38 -1.639385641e+00 -1.639385641e+00 2.40 -2.033992131e+00 -2.033992131e+00 2.42 -2.393946438e+00 -2.393946438e+00 2.44 -2.721694535e+00 -2.721694535e+00 2.46 -3.019524814e+00 -3.019524814e+00 2.48 -3.289570982e+00 -3.289570982e+00 2.50 -3.533812716e+00 -3.533812716e+00 2.52 -3.754040508e+00 -3.754040508e+00 2.54 -3.951442860e+00 -3.951442860e+00 2.56 -4.126854906e+00 -4.126854906e+00 2.58 -4.281125134e+00 -4.281125134e+00 2.60 -4.415106276e+00 -4.415106276e+00 2.62 -4.529640378e+00 -4.529640378e+00 2.64 -4.625546585e+00 -4.625546585e+00 2.66 -4.703611132e+00 -4.703611132e+00 2.68 -4.764586381e+00 -4.764586381e+00 2.70 -4.809195705e+00 -4.809195705e+00 2.72 -4.838142915e+00 -4.838142915e+00 2.74 -4.852122325e+00 -4.852122325e+00 2.76 -4.851831091e+00 -4.851831091e+00 2.78 -4.838006380e+00 -4.838006380e+00 2.80 -4.811330365e+00 -4.811330365e+00 2.82 -4.772489126e+00 -4.772489126e+00 2.84 -4.722201933e+00 -4.722201933e+00 2.86 -4.661231277e+00 -4.661231277e+00 2.88 -4.590395741e+00 -4.590395741e+00 2.90 -4.510583579e+00 -4.510583579e+00 2.92 -4.422763807e+00 -4.422763807e+00 2.94 -4.327974723e+00 -4.327974723e+00 2.96 -4.227283391e+00 -4.227283391e+00 2.98 -4.121822477e+00 -4.121822477e+00 3.00 -4.012772041e+00 -4.012772041e+00 3.02 -3.901317156e+00 -3.901317156e+00 3.04 -3.788598324e+00 -3.788598324e+00 3.06 -3.675661281e+00 -3.675661281e+00 3.08 -3.563410843e+00 -3.563410843e+00 3.10 -3.452577686e+00 -3.452577686e+00 3.12 -3.343699638e+00 -3.343699638e+00 3.14 -3.237121572e+00 -3.237121572e+00 3.16 -3.133007208e+00 -3.133007208e+00 3.18 -3.031366100e+00 -3.031366100e+00 3.20 -2.932085868e+00 -2.932085868e+00 3.22 -2.834967643e+00 -2.834967643e+00 3.24 -2.739760877e+00 -2.739760877e+00 3.26 -2.646195124e+00 -2.646195124e+00 3.28 -2.554007431e+00 -2.554007431e+00 3.30 -2.462964744e+00 -2.462964744e+00 3.32 -2.372881308e+00 -2.372881308e+00 3.34 -2.283631324e+00 -2.283631324e+00 3.36 -2.195157232e+00 -2.195157232e+00 3.38 -2.107515751e+00 -2.107515751e+00 3.40 -2.020742978e+00 -2.020742978e+00 3.42 -1.934880716e+00 -1.934880716e+00 3.44 -1.850060928e+00 -1.850060928e+00 3.46 -1.766394673e+00 -1.766394673e+00 3.48 -1.683798596e+00 -1.683798596e+00 3.50 -1.602295928e+00 -1.602295928e+00 3.52 -1.522057218e+00 -1.522057218e+00 3.54 -1.443366509e+00 -1.443366509e+00 3.56 -1.366581096e+00 -1.366581096e+00 3.58 -1.292089440e+00 -1.292089440e+00 3.60 -1.220271875e+00 -1.220271875e+00 3.62 -1.151467897e+00 -1.151467897e+00 3.64 -1.085952445e+00 -1.085952445e+00 3.66 -1.023921993e+00 -1.023921993e+00 3.68 -9.654898774e-01 -9.654898774e-01 3.70 -9.106892603e-01 -9.106892603e-01 3.72 -8.594816405e-01 -8.594816405e-01 3.74 -8.117687383e-01 -8.117687383e-01 3.76 -7.674058211e-01 -7.674058211e-01 3.78 -7.262149515e-01 -7.262149515e-01 3.80 -6.879971017e-01 -6.879971017e-01 3.82 -6.525425060e-01 -6.525425060e-01 3.84 -6.196389775e-01 -6.196389775e-01 3.86 -5.890781786e-01 -5.890781786e-01 3.88 -5.606600139e-01 -5.606600139e-01 3.90 -5.341954312e-01 -5.341954312e-01 3.92 -5.095078678e-01 -5.095078678e-01 3.94 -4.864342795e-01 -4.864342795e-01 3.96 -4.648245060e-01 -4.648245060e-01 3.98 -4.445413618e-01 -4.445413618e-01 4.00 -4.254599496e-01 -4.254599496e-01 4.02 -4.074670043e-01 -4.074670043e-01 4.04 -3.904602109e-01 -3.904602109e-01 4.06 -3.743475310e-01 -3.743475310e-01 4.08 -3.590465618e-01 -3.590465618e-01 4.10 -3.444835517e-01 -3.444835517e-01 4.12 -3.305945235e-01 -3.305945235e-01 4.14 -3.173222003e-01 -3.173222003e-01 4.16 -3.046174560e-01 -3.046174560e-01 4.18 -2.924384608e-01 -2.924384608e-01 4.20 -2.807503156e-01 -2.807503156e-01 4.22 -2.695246262e-01 -2.695246262e-01 4.24 -2.587389508e-01 -2.587389508e-01 4.26 -2.483760712e-01 -2.483760712e-01 4.28 -2.384230630e-01 -2.384230630e-01 4.30 -2.288701568e-01 -2.288701568e-01 4.32 -2.197095056e-01 -2.197095056e-01 4.34 -2.109339361e-01 -2.109339361e-01 4.36 -2.025358181e-01 -2.025358181e-01 4.38 -1.945056619e-01 -1.945056619e-01 4.40 -1.868321190e-01 -1.868321190e-01 4.42 -1.795029588e-01 -1.795029588e-01 4.44 -1.725035991e-01 -1.725035991e-01 4.46 -1.658175089e-01 -1.658175089e-01 4.48 -1.594267748e-01 -1.594267748e-01 4.50 -1.533126919e-01 -1.533126919e-01 4.52 -1.474563033e-01 -1.474563033e-01 4.54 -1.418388456e-01 -1.418388456e-01 4.56 -1.364420834e-01 -1.364420834e-01 4.58 -1.312485365e-01 -1.312485365e-01 4.60 -1.262416192e-01 -1.262416192e-01 4.62 -1.214057131e-01 -1.214057131e-01 4.64 -1.167261991e-01 -1.167261991e-01 4.66 -1.121894719e-01 -1.121894719e-01 4.68 -1.077829563e-01 -1.077829563e-01 4.70 -1.034951403e-01 -1.034951403e-01 4.72 -9.931563721e-02 -9.931563721e-02 4.74 -9.523528137e-02 -9.523528137e-02 4.76 -9.124625999e-02 -9.124625999e-02 4.78 -8.734227426e-02 -8.734227426e-02 4.80 -8.351851257e-02 -8.351851257e-02 4.82 -7.977268743e-02 -7.977268743e-02 4.84 -7.610382862e-02 -7.610382862e-02 4.86 -7.251330916e-02 -7.251330916e-02 4.88 -6.900461940e-02 -6.900461940e-02 4.90 -6.558321698e-02 -6.558321698e-02 4.92 -6.225624512e-02 -6.225624512e-02 4.94 -5.903210415e-02 -5.903210415e-02 4.96 -5.591989169e-02 -5.591989169e-02 4.98 -5.292875249e-02 -5.292875249e-02 5.00 -5.006719830e-02 -5.006719830e-02 5.02 -4.734246766e-02 -4.734246766e-02 5.04 -4.475999352e-02 -4.475999352e-02 5.06 -4.232303194e-02 -4.232303194e-02 5.08 -4.003248122e-02 -4.003248122e-02 5.10 -3.788689377e-02 -3.788689377e-02 5.12 -3.588265727e-02 -3.588265727e-02 5.14 -3.401430497e-02 -3.401430497e-02 5.16 -3.227490593e-02 -3.227490593e-02 5.18 -3.065648630e-02 -3.065648630e-02 5.20 -2.915044041e-02 -2.915044041e-02 5.22 -2.774790171e-02 -2.774790171e-02 5.24 -2.644005533e-02 -2.644005533e-02 5.26 -2.521838466e-02 -2.521838466e-02 5.28 -2.407485255e-02 -2.407485255e-02 5.30 -2.300202309e-02 -2.300202309e-02 5.32 -2.199313258e-02 -2.199313258e-02 5.34 -2.104211941e-02 -2.104211941e-02 5.36 -2.014362167e-02 -2.014362167e-02 5.38 -1.929293341e-02 -1.929293341e-02 5.40 -1.848595773e-02 -1.848595773e-02 5.42 -1.771922003e-02 -1.771922003e-02 5.44 -1.698975207e-02 -1.698975207e-02 5.46 -1.629502010e-02 -1.629502010e-02 5.48 -1.563285399e-02 -1.563285399e-02 5.50 -1.500137741e-02 -1.500137741e-02 5.52 -1.439894208e-02 -1.439894208e-02 5.54 -1.382406837e-02 -1.382406837e-02 5.56 -1.327539449e-02 -1.327539449e-02 5.58 -1.275163547e-02 -1.275163547e-02 5.60 -1.225155257e-02 -1.225155257e-02 5.62 -1.177393263e-02 -1.177393263e-02 5.64 -1.131757651e-02 -1.131757651e-02 5.66 -1.088129475e-02 -1.088129475e-02 5.68 -1.046390879e-02 -1.046390879e-02 5.70 -1.006425569e-02 -1.006425569e-02 5.72 -9.681194662e-03 -9.681194662e-03 5.74 -9.313614061e-03 -9.313614061e-03 5.76 -8.960437838e-03 -8.960437838e-03 5.78 -8.620630798e-03 -8.620630798e-03 5.80 -8.293202457e-03 -8.293202457e-03 5.82 -7.977209455e-03 -7.977209455e-03 5.84 -7.671756724e-03 -7.671756724e-03 5.86 -7.375997690e-03 -7.375997690e-03 5.88 -7.089133862e-03 -7.089133862e-03 5.90 -6.810414155e-03 -6.810414155e-03 5.92 -6.539134287e-03 -6.539134287e-03 5.94 -6.274636550e-03 -6.274636550e-03 5.96 -6.016310193e-03 -6.016310193e-03 5.98 -5.763592630e-03 -5.763592630e-03 6.00 -5.515971594e-03 -5.515971594e-03