# 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 = Co2MgZr # 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 2.717970120e+02 2.717970120e+02 1.30 2.511031539e+02 2.511031539e+02 1.32 2.319904796e+02 2.319904796e+02 1.34 2.143292024e+02 2.143292024e+02 1.36 1.980014874e+02 1.980014874e+02 1.38 1.829010494e+02 1.829010494e+02 1.40 1.689319322e+02 1.689319322e+02 1.42 1.560065120e+02 1.560065120e+02 1.44 1.440436125e+02 1.440436125e+02 1.46 1.329677437e+02 1.329677437e+02 1.48 1.227094639e+02 1.227094639e+02 1.50 1.132056756e+02 1.132056756e+02 1.52 1.043990740e+02 1.043990740e+02 1.54 9.623709696e+01 9.623709696e+01 1.56 8.867130522e+01 8.867130522e+01 1.58 8.165725852e+01 8.165725852e+01 1.60 7.515433544e+01 7.515433544e+01 1.62 6.912518325e+01 6.912518325e+01 1.64 6.353505475e+01 6.353505475e+01 1.66 5.835136931e+01 5.835136931e+01 1.68 5.354366331e+01 5.354366331e+01 1.70 4.908384361e+01 4.908384361e+01 1.72 4.494627400e+01 4.494627400e+01 1.74 4.110802686e+01 4.110802686e+01 1.76 3.754791189e+01 3.754791189e+01 1.78 3.424612426e+01 3.424612426e+01 1.80 3.118535600e+01 3.118535600e+01 1.82 2.834875026e+01 2.834875026e+01 1.84 2.572032278e+01 2.572032278e+01 1.86 2.328519821e+01 2.328519821e+01 1.88 2.102959933e+01 2.102959933e+01 1.90 1.894084594e+01 1.894084594e+01 1.92 1.700727611e+01 1.700727611e+01 1.94 1.521809373e+01 1.521809373e+01 1.96 1.356320514e+01 1.356320514e+01 1.98 1.203314010e+01 1.203314010e+01 2.00 1.061904235e+01 1.061904235e+01 2.02 9.312679425e+00 9.312679425e+00 2.04 8.106432263e+00 8.106432263e+00 2.06 6.993243127e+00 6.993243127e+00 2.08 5.966529836e+00 5.966529836e+00 2.10 5.020119832e+00 5.020119832e+00 2.12 4.148210925e+00 4.148210925e+00 2.14 3.345367094e+00 3.345367094e+00 2.16 2.606541007e+00 2.606541007e+00 2.18 1.927081094e+00 1.927081094e+00 2.20 1.302723465e+00 1.302723465e+00 2.22 7.295471114e-01 7.295471114e-01 2.24 2.039307543e-01 2.039307543e-01 2.26 -2.774766934e-01 -2.774766934e-01 2.28 -7.177841738e-01 -7.177841738e-01 2.30 -1.119844185e+00 -1.119844185e+00 2.32 -1.486292880e+00 -1.486292880e+00 2.34 -1.819550273e+00 -1.819550273e+00 2.36 -2.121865770e+00 -2.121865770e+00 2.38 -2.395347323e+00 -2.395347323e+00 2.40 -2.641991581e+00 -2.641991581e+00 2.42 -2.863713106e+00 -2.863713106e+00 2.44 -3.062394344e+00 -3.062394344e+00 2.46 -3.239848603e+00 -3.239848603e+00 2.48 -3.397706003e+00 -3.397706003e+00 2.50 -3.537533494e+00 -3.537533494e+00 2.52 -3.660817354e+00 -3.660817354e+00 2.54 -3.768949035e+00 -3.768949035e+00 2.56 -3.863220849e+00 -3.863220849e+00 2.58 -3.944816955e+00 -3.944816955e+00 2.60 -4.014682114e+00 -4.014682114e+00 2.62 -4.073600626e+00 -4.073600626e+00 2.64 -4.122320950e+00 -4.122320950e+00 2.66 -4.161534349e+00 -4.161534349e+00 2.68 -4.191902437e+00 -4.191902437e+00 2.70 -4.214081343e+00 -4.214081343e+00 2.72 -4.228568551e+00 -4.228568551e+00 2.74 -4.235837852e+00 -4.235837852e+00 2.76 -4.236359115e+00 -4.236359115e+00 2.78 -4.230594716e+00 -4.230594716e+00 2.80 -4.219004271e+00 -4.219004271e+00 2.82 -4.202023769e+00 -4.202023769e+00 2.84 -4.180072096e+00 -4.180072096e+00 2.86 -4.153541321e+00 -4.153541321e+00 2.88 -4.122738033e+00 -4.122738033e+00 2.90 -4.087913980e+00 -4.087913980e+00 2.92 -4.049324082e+00 -4.049324082e+00 2.94 -4.007228251e+00 -4.007228251e+00 2.96 -3.961892461e+00 -3.961892461e+00 2.98 -3.913589725e+00 -3.913589725e+00 3.00 -3.862600206e+00 -3.862600206e+00 3.02 -3.809209600e+00 -3.809209600e+00 3.04 -3.753702968e+00 -3.753702968e+00 3.06 -3.696367780e+00 -3.696367780e+00 3.08 -3.637471550e+00 -3.637471550e+00 3.10 -3.577265661e+00 -3.577265661e+00 3.12 -3.515975539e+00 -3.515975539e+00 3.14 -3.453809303e+00 -3.453809303e+00 3.16 -3.390943871e+00 -3.390943871e+00 3.18 -3.327540408e+00 -3.327540408e+00 3.20 -3.263746582e+00 -3.263746582e+00 3.22 -3.199702213e+00 -3.199702213e+00 3.24 -3.135544633e+00 -3.135544633e+00 3.26 -3.071413082e+00 -3.071413082e+00 3.28 -3.007451246e+00 -3.007451246e+00 3.30 -2.943807001e+00 -2.943807001e+00 3.32 -2.880628919e+00 -2.880628919e+00 3.34 -2.818060011e+00 -2.818060011e+00 3.36 -2.756230199e+00 -2.756230199e+00 3.38 -2.695249480e+00 -2.695249480e+00 3.40 -2.635216313e+00 -2.635216313e+00 3.42 -2.576192873e+00 -2.576192873e+00 3.44 -2.518198891e+00 -2.518198891e+00 3.46 -2.461239521e+00 -2.461239521e+00 3.48 -2.405307881e+00 -2.405307881e+00 3.50 -2.350388926e+00 -2.350388926e+00 3.52 -2.296462528e+00 -2.296462528e+00 3.54 -2.243505538e+00 -2.243505538e+00 3.56 -2.191492539e+00 -2.191492539e+00 3.58 -2.140383866e+00 -2.140383866e+00 3.60 -2.090124455e+00 -2.090124455e+00 3.62 -2.040662964e+00 -2.040662964e+00 3.64 -1.991952414e+00 -1.991952414e+00 3.66 -1.943949982e+00 -1.943949982e+00 3.68 -1.896617259e+00 -1.896617259e+00 3.70 -1.849920975e+00 -1.849920975e+00 3.72 -1.803834137e+00 -1.803834137e+00 3.74 -1.758337447e+00 -1.758337447e+00 3.76 -1.713420817e+00 -1.713420817e+00 3.78 -1.669084738e+00 -1.669084738e+00 3.80 -1.625341193e+00 -1.625341193e+00 3.82 -1.582213802e+00 -1.582213802e+00 3.84 -1.539736931e+00 -1.539736931e+00 3.86 -1.497953578e+00 -1.497953578e+00 3.88 -1.456912093e+00 -1.456912093e+00 3.90 -1.416662016e+00 -1.416662016e+00 3.92 -1.377248347e+00 -1.377248347e+00 3.94 -1.338712580e+00 -1.338712580e+00 3.96 -1.301081336e+00 -1.301081336e+00 3.98 -1.264370350e+00 -1.264370350e+00 4.00 -1.228582686e+00 -1.228582686e+00 4.02 -1.193709830e+00 -1.193709830e+00 4.04 -1.159733728e+00 -1.159733728e+00 4.06 -1.126629339e+00 -1.126629339e+00 4.08 -1.094367269e+00 -1.094367269e+00 4.10 -1.062912197e+00 -1.062912197e+00 4.12 -1.032241844e+00 -1.032241844e+00 4.14 -1.002322041e+00 -1.002322041e+00 4.16 -9.731267828e-01 -9.731267828e-01 4.18 -9.446341575e-01 -9.446341575e-01 4.20 -9.168269160e-01 -9.168269160e-01 4.22 -8.896926933e-01 -8.896926933e-01 4.24 -8.632238634e-01 -8.632238634e-01 4.26 -8.374170117e-01 -8.374170117e-01 4.28 -8.122720327e-01 -8.122720327e-01 4.30 -7.877909062e-01 -7.877909062e-01 4.32 -7.639762611e-01 -7.639762611e-01 4.34 -7.408298881e-01 -7.408298881e-01 4.36 -7.183513841e-01 -7.183513841e-01 4.38 -6.965370947e-01 -6.965370947e-01 4.40 -6.753794683e-01 -6.753794683e-01 4.42 -6.548668572e-01 -6.548668572e-01 4.44 -6.349837245e-01 -6.349837245e-01 4.46 -6.157111577e-01 -6.157111577e-01 4.48 -5.970275650e-01 -5.970275650e-01 4.50 -5.789094310e-01 -5.789094310e-01 4.52 -5.613320365e-01 -5.613320365e-01 4.54 -5.442700788e-01 -5.442700788e-01 4.56 -5.276981661e-01 -5.276981661e-01 4.58 -5.115911830e-01 -5.115911830e-01 4.60 -4.959245483e-01 -4.959245483e-01 4.62 -4.806743901e-01 -4.806743901e-01 4.64 -4.658176733e-01 -4.658176733e-01 4.66 -4.513323072e-01 -4.513323072e-01 4.68 -4.371972634e-01 -4.371972634e-01 4.70 -4.233927244e-01 -4.233927244e-01 4.72 -4.099002798e-01 -4.099002798e-01 4.74 -3.967031805e-01 -3.967031805e-01 4.76 -3.837866496e-01 -3.837866496e-01 4.78 -3.711382423e-01 -3.711382423e-01 4.80 -3.587449127e-01 -3.587449127e-01 4.82 -3.466072395e-01 -3.466072395e-01 4.84 -3.347180375e-01 -3.347180375e-01 4.86 -3.230777596e-01 -3.230777596e-01 4.88 -3.116905326e-01 -3.116905326e-01 4.90 -3.005639669e-01 -3.005639669e-01 4.92 -2.897086949e-01 -2.897086949e-01 4.94 -2.791376294e-01 -2.791376294e-01 4.96 -2.688649714e-01 -2.688649714e-01 4.98 -2.589050384e-01 -2.589050384e-01 5.00 -2.492710226e-01 -2.492710226e-01 5.02 -2.399738060e-01 -2.399738060e-01 5.04 -2.310209606e-01 -2.310209606e-01 5.06 -2.224160345e-01 -2.224160345e-01 5.08 -2.141581861e-01 -2.141581861e-01 5.10 -2.062421763e-01 -2.062421763e-01 5.12 -1.986586825e-01 -1.986586825e-01 5.14 -1.913948658e-01 -1.913948658e-01 5.16 -1.844351031e-01 -1.844351031e-01 5.18 -1.777616918e-01 -1.777616918e-01 5.20 -1.713558667e-01 -1.713558667e-01 5.22 -1.651985572e-01 -1.651985572e-01 5.24 -1.592709419e-01 -1.592709419e-01 5.26 -1.535550299e-01 -1.535550299e-01 5.28 -1.480341311e-01 -1.480341311e-01 5.30 -1.426932218e-01 -1.426932218e-01 5.32 -1.375192145e-01 -1.375192145e-01 5.34 -1.325011380e-01 -1.325011380e-01 5.36 -1.276302341e-01 -1.276302341e-01 5.38 -1.228999715e-01 -1.228999715e-01 5.40 -1.183059745e-01 -1.183059745e-01 5.42 -1.138458657e-01 -1.138458657e-01 5.44 -1.095190225e-01 -1.095190225e-01 5.46 -1.053262555e-01 -1.053262555e-01 5.48 -1.012694160e-01 -1.012694160e-01 5.50 -9.735095285e-02 -9.735095285e-02 5.52 -9.357346639e-02 -9.357346639e-02 5.54 -8.993927090e-02 -8.993927090e-02 5.56 -8.645000683e-02 -8.645000683e-02 5.58 -8.310633010e-02 -8.310633010e-02 5.60 -7.990735182e-02 -7.990735182e-02 5.62 -7.685083693e-02 -7.685083693e-02 5.64 -7.393407127e-02 -7.393407127e-02 5.66 -7.115296760e-02 -7.115296760e-02 5.68 -6.850222579e-02 -6.850222579e-02 5.70 -6.597556163e-02 -6.597556163e-02 5.72 -6.356595272e-02 -6.356595272e-02 5.74 -6.126587986e-02 -6.126587986e-02 5.76 -5.906754793e-02 -5.906754793e-02 5.78 -5.696307635e-02 -5.696307635e-02 5.80 -5.494465450e-02 -5.494465450e-02 5.82 -5.300466157e-02 -5.300466157e-02 5.84 -5.113575385e-02 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