# 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 = CoTaTi2 # 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 2.597585641e+02 2.597585641e+02 1.30 2.401585061e+02 2.401585061e+02 1.32 2.220433081e+02 2.220433081e+02 1.34 2.052912804e+02 2.052912804e+02 1.36 1.897922100e+02 1.897922100e+02 1.38 1.754467703e+02 1.754467703e+02 1.40 1.621653114e+02 1.621653114e+02 1.42 1.498662985e+02 1.498662985e+02 1.44 1.384747664e+02 1.384747664e+02 1.46 1.279210042e+02 1.279210042e+02 1.48 1.181395930e+02 1.181395930e+02 1.50 1.090690083e+02 1.090690083e+02 1.52 1.006517974e+02 1.006517974e+02 1.54 9.283510194e+01 9.283510194e+01 1.56 8.557119605e+01 8.557119605e+01 1.58 7.881762638e+01 7.881762638e+01 1.60 7.253676225e+01 7.253676225e+01 1.62 6.669498636e+01 6.669498636e+01 1.64 6.126186049e+01 6.126186049e+01 1.66 5.620941693e+01 5.620941693e+01 1.68 5.151165042e+01 5.151165042e+01 1.70 4.714427401e+01 4.714427401e+01 1.72 4.308467672e+01 4.308467672e+01 1.74 3.931190539e+01 3.931190539e+01 1.76 3.580654119e+01 3.580654119e+01 1.78 3.255050229e+01 3.255050229e+01 1.80 2.952688206e+01 2.952688206e+01 1.82 2.671986441e+01 2.671986441e+01 1.84 2.411655515e+01 2.411655515e+01 1.86 2.170593836e+01 2.170593836e+01 1.88 1.947498520e+01 1.947498520e+01 1.90 1.741184360e+01 1.741184360e+01 1.92 1.550468547e+01 1.550468547e+01 1.94 1.374204223e+01 1.374204223e+01 1.96 1.211301740e+01 1.211301740e+01 1.98 1.060734806e+01 1.060734806e+01 2.00 9.215481669e+00 9.215481669e+00 2.02 7.928628331e+00 7.928628331e+00 2.04 6.738774577e+00 6.738774577e+00 2.06 5.638670014e+00 5.638670014e+00 2.08 4.621801234e+00 4.621801234e+00 2.10 3.682352235e+00 3.682352235e+00 2.12 2.815138146e+00 2.815138146e+00 2.14 2.015508576e+00 2.015508576e+00 2.16 1.279236078e+00 1.279236078e+00 2.18 6.024108406e-01 6.024108406e-01 2.20 -1.864599557e-02 -1.864599557e-02 2.22 -5.874499576e-01 -5.874499576e-01 2.24 -1.107402308e+00 -1.107402308e+00 2.26 -1.581819060e+00 -1.581819060e+00 2.28 -2.013938839e+00 -2.013938839e+00 2.30 -2.406911781e+00 -2.406911781e+00 2.32 -2.763777371e+00 -2.763777371e+00 2.34 -3.087434550e+00 -3.087434550e+00 2.36 -3.380610544e+00 -3.380610544e+00 2.38 -3.645832994e+00 -3.645832994e+00 2.40 -3.885412310e+00 -3.885412310e+00 2.42 -4.101437763e+00 -4.101437763e+00 2.44 -4.295786433e+00 -4.295786433e+00 2.46 -4.470142221e+00 -4.470142221e+00 2.48 -4.626020081e+00 -4.626020081e+00 2.50 -4.764791136e+00 -4.764791136e+00 2.52 -4.887644919e+00 -4.887644919e+00 2.54 -4.995695978e+00 -4.995695978e+00 2.56 -5.090112393e+00 -5.090112393e+00 2.58 -5.171957805e+00 -5.171957805e+00 2.60 -5.242202188e+00 -5.242202188e+00 2.62 -5.301730720e+00 -5.301730720e+00 2.64 -5.351349799e+00 -5.351349799e+00 2.66 -5.391791978e+00 -5.391791978e+00 2.68 -5.423694097e+00 -5.423694097e+00 2.70 -5.447489617e+00 -5.447489617e+00 2.72 -5.463556298e+00 -5.463556298e+00 2.74 -5.472276882e+00 -5.472276882e+00 2.76 -5.474052849e+00 -5.474052849e+00 2.78 -5.469356293e+00 -5.469356293e+00 2.80 -5.458528569e+00 -5.458528569e+00 2.82 -5.441847928e+00 -5.441847928e+00 2.84 -5.419576578e+00 -5.419576578e+00 2.86 -5.391992901e+00 -5.391992901e+00 2.88 -5.359387813e+00 -5.359387813e+00 2.90 -5.322062382e+00 -5.322062382e+00 2.92 -5.280326498e+00 -5.280326498e+00 2.94 -5.234460436e+00 -5.234460436e+00 2.96 -5.184604354e+00 -5.184604354e+00 2.98 -5.130858997e+00 -5.130858997e+00 3.00 -5.073364635e+00 -5.073364635e+00 3.02 -5.012319620e+00 -5.012319620e+00 3.04 -4.947965922e+00 -4.947965922e+00 3.06 -4.880569728e+00 -4.880569728e+00 3.08 -4.810398684e+00 -4.810398684e+00 3.10 -4.737701671e+00 -4.737701671e+00 3.12 -4.662694925e+00 -4.662694925e+00 3.14 -4.585558137e+00 -4.585558137e+00 3.16 -4.506438825e+00 -4.506438825e+00 3.18 -4.425463918e+00 -4.425463918e+00 3.20 -4.342753415e+00 -4.342753415e+00 3.22 -4.258433395e+00 -4.258433395e+00 3.24 -4.172646031e+00 -4.172646031e+00 3.26 -4.085555492e+00 -4.085555492e+00 3.28 -3.997349440e+00 -3.997349440e+00 3.30 -3.908236401e+00 -3.908236401e+00 3.32 -3.818439726e+00 -3.818439726e+00 3.34 -3.728189134e+00 -3.728189134e+00 3.36 -3.637711102e+00 -3.637711102e+00 3.38 -3.547219407e+00 -3.547219407e+00 3.40 -3.456907069e+00 -3.456907069e+00 3.42 -3.366940788e+00 -3.366940788e+00 3.44 -3.277458089e+00 -3.277458089e+00 3.46 -3.188567714e+00 -3.188567714e+00 3.48 -3.100352409e+00 -3.100352409e+00 3.50 -3.012873409e+00 -3.012873409e+00 3.52 -2.926175499e+00 -2.926175499e+00 3.54 -2.840291594e+00 -2.840291594e+00 3.56 -2.755246122e+00 -2.755246122e+00 3.58 -2.671057063e+00 -2.671057063e+00 3.60 -2.587737071e+00 -2.587737071e+00 3.62 -2.505294582e+00 -2.505294582e+00 3.64 -2.423735815e+00 -2.423735815e+00 3.66 -2.343068269e+00 -2.343068269e+00 3.68 -2.263305704e+00 -2.263305704e+00 3.70 -2.184474004e+00 -2.184474004e+00 3.72 -2.106616991e+00 -2.106616991e+00 3.74 -2.029801114e+00 -2.029801114e+00 3.76 -1.954118148e+00 -1.954118148e+00 3.78 -1.879685338e+00 -1.879685338e+00 3.80 -1.806642789e+00 -1.806642789e+00 3.82 -1.735148301e+00 -1.735148301e+00 3.84 -1.665370116e+00 -1.665370116e+00 3.86 -1.597478332e+00 -1.597478332e+00 3.88 -1.531635833e+00 -1.531635833e+00 3.90 -1.467989633e+00 -1.467989633e+00 3.92 -1.406663381e+00 -1.406663381e+00 3.94 -1.347751927e+00 -1.347751927e+00 3.96 -1.291317536e+00 -1.291317536e+00 3.98 -1.237388891e+00 -1.237388891e+00 4.00 -1.185961903e+00 -1.185961903e+00 4.02 -1.137002328e+00 -1.137002328e+00 4.04 -1.090449662e+00 -1.090449662e+00 4.06 -1.046221850e+00 -1.046221850e+00 4.08 -1.004220346e+00 -1.004220346e+00 4.10 -9.643349948e-01 -9.643349948e-01 4.12 -9.264493266e-01 -9.264493266e-01 4.14 -8.904438439e-01 -8.904438439e-01 4.16 -8.562002425e-01 -8.562002425e-01 4.18 -8.236041426e-01 -8.236041426e-01 4.20 -7.925472988e-01 -7.925472988e-01 4.22 -7.629291245e-01 -7.629291245e-01 4.24 -7.346575520e-01 -7.346575520e-01 4.26 -7.076492673e-01 -7.076492673e-01 4.28 -6.818293805e-01 -6.818293805e-01 4.30 -6.571306288e-01 -6.571306288e-01 4.32 -6.334922476e-01 -6.334922476e-01 4.34 -6.108586741e-01 -6.108586741e-01 4.36 -5.891782572e-01 -5.891782572e-01 4.38 -5.684021295e-01 -5.684021295e-01 4.40 -5.484833464e-01 -5.484833464e-01 4.42 -5.293763394e-01 -5.293763394e-01 4.44 -5.110366655e-01 -5.110366655e-01 4.46 -4.934209909e-01 -4.934209909e-01 4.48 -4.764872240e-01 -4.764872240e-01 4.50 -4.601947142e-01 -4.601947142e-01 4.52 -4.445044466e-01 -4.445044466e-01 4.54 -4.293791920e-01 -4.293791920e-01 4.56 -4.147835885e-01 -4.147835885e-01 4.58 -4.006841574e-01 -4.006841574e-01 4.60 -3.870492630e-01 -3.870492630e-01 4.62 -3.738490367e-01 -3.738490367e-01 4.64 -3.610552875e-01 -3.610552875e-01 4.66 -3.486414187e-01 -3.486414187e-01 4.68 -3.365823712e-01 -3.365823712e-01 4.70 -3.248546078e-01 -3.248546078e-01 4.72 -3.134361538e-01 -3.134361538e-01 4.74 -3.023066997e-01 -3.023066997e-01 4.76 -2.914477714e-01 -2.914477714e-01 4.78 -2.808429656e-01 -2.808429656e-01 4.80 -2.704781579e-01 -2.704781579e-01 4.82 -2.603421749e-01 -2.603421749e-01 4.84 -2.504265874e-01 -2.504265874e-01 4.86 -2.407263911e-01 -2.407263911e-01 4.88 -2.312401302e-01 -2.312401302e-01 4.90 -2.219699893e-01 -2.219699893e-01 4.92 -2.129217050e-01 -2.129217050e-01 4.94 -2.041042593e-01 -2.041042593e-01 4.96 -1.955293361e-01 -1.955293361e-01 4.98 -1.872105498e-01 -1.872105498e-01 5.00 -1.791624848e-01 -1.791624848e-01 5.02 -1.713996173e-01 -1.713996173e-01 5.04 -1.639352074e-01 -1.639352074e-01 5.06 -1.567802621e-01 -1.567802621e-01 5.08 -1.499426683e-01 -1.499426683e-01 5.10 -1.434265685e-01 -1.434265685e-01 5.12 -1.372320230e-01 -1.372320230e-01 5.14 -1.313548751e-01 -1.313548751e-01 5.16 -1.257867502e-01 -1.257867502e-01 5.18 -1.205165446e-01 -1.205165446e-01 5.20 -1.155302775e-01 -1.155302775e-01 5.22 -1.108116779e-01 -1.108116779e-01 5.24 -1.063429112e-01 -1.063429112e-01 5.26 -1.021052517e-01 -1.021052517e-01 5.28 -9.807966411e-02 -9.807966411e-02 5.30 -9.424727549e-02 -9.424727549e-02 5.32 -9.058973475e-02 -9.058973475e-02 5.34 -8.708946630e-02 -8.708946630e-02 5.36 -8.372983352e-02 -8.372983352e-02 5.38 -8.049522960e-02 -8.049522960e-02 5.40 -7.737111528e-02 -7.737111528e-02 5.42 -7.434402121e-02 -7.434402121e-02 5.44 -7.140153125e-02 -7.140153125e-02 5.46 -6.853226008e-02 -6.853226008e-02 5.48 -6.572583631e-02 -6.572583631e-02 5.50 -6.297289911e-02 -6.297289911e-02 5.52 -6.026511444e-02 -6.026511444e-02 5.54 -5.759521406e-02 -5.759521406e-02 5.56 -5.495705796e-02 -5.495705796e-02 5.58 -5.234571829e-02 -5.234571829e-02 5.60 -4.975757965e-02 -4.975757965e-02 5.62 -4.719044757e-02 -4.719044757e-02 5.64 -4.464365376e-02 -4.464365376e-02 5.66 -4.211814433e-02 -4.211814433e-02 5.68 -3.961653193e-02 -3.961653193e-02 5.70 -3.714309881e-02 -3.714309881e-02 5.72 -3.470373199e-02 -3.470373199e-02 5.74 -3.230577807e-02 -3.230577807e-02 5.76 -2.995781137e-02 -2.995781137e-02 5.78 -2.766931687e-02 -2.766931687e-02 5.80 -2.545030201e-02 -2.545030201e-02 5.82 -2.331085299e-02 -2.331085299e-02 5.84 -2.126066901e-02 -2.126066901e-02 5.86 -1.930860942e-02 -1.930860942e-02 5.88 -1.746228792e-02 -1.746228792e-02 5.90 -1.572774500e-02 -1.572774500e-02 5.92 -1.410913612e-02 -1.410913612e-02 5.94 -1.260858779e-02 -1.260858779e-02 5.96 -1.122665609e-02 -1.122665609e-02 5.98 -9.962059819e-03 -9.962059819e-03 6.00 -8.811844252e-03 -8.811844252e-03