# 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 = Co2CuPt # 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 1.772988182e+02 1.772988182e+02 1.30 1.635862375e+02 1.635862375e+02 1.32 1.508776819e+02 1.508776819e+02 1.34 1.391012958e+02 1.391012958e+02 1.36 1.281909179e+02 1.281909179e+02 1.38 1.180808130e+02 1.180808130e+02 1.40 1.087040757e+02 1.087040757e+02 1.42 9.999519752e+01 9.999519752e+01 1.44 9.189428824e+01 9.189428824e+01 1.46 8.435031216e+01 8.435031216e+01 1.48 7.732147693e+01 7.732147693e+01 1.50 7.077264988e+01 7.077264988e+01 1.52 6.467181034e+01 6.467181034e+01 1.54 5.898766561e+01 5.898766561e+01 1.56 5.368901490e+01 5.368901490e+01 1.58 4.874525736e+01 4.874525736e+01 1.60 4.412725043e+01 4.412725043e+01 1.62 3.980812686e+01 3.980812686e+01 1.64 3.576423492e+01 3.576423492e+01 1.66 3.201302214e+01 3.201302214e+01 1.68 2.857556510e+01 2.857556510e+01 1.70 2.543012194e+01 2.543012194e+01 1.72 2.255753204e+01 2.255753204e+01 1.74 1.993965486e+01 1.993965486e+01 1.76 1.755801549e+01 1.755801549e+01 1.78 1.539336253e+01 1.539336253e+01 1.80 1.342626579e+01 1.342626579e+01 1.82 1.163814075e+01 1.163814075e+01 1.84 1.001197343e+01 1.001197343e+01 1.86 8.532493495e+00 8.532493495e+00 1.88 7.185986449e+00 7.185986449e+00 1.90 5.960044567e+00 5.960044567e+00 1.92 4.843434425e+00 4.843434425e+00 1.94 3.826091653e+00 3.826091653e+00 1.96 2.899151587e+00 2.899151587e+00 1.98 2.054915460e+00 2.054915460e+00 2.00 1.286713049e+00 1.286713049e+00 2.02 5.886985330e-01 5.886985330e-01 2.04 -4.435478446e-02 -4.435478446e-02 2.06 -6.172198681e-01 -6.172198681e-01 2.08 -1.134334639e+00 -1.134334639e+00 2.10 -1.599880919e+00 -1.599880919e+00 2.12 -2.017828920e+00 -2.017828920e+00 2.14 -2.391949514e+00 -2.391949514e+00 2.16 -2.725799561e+00 -2.725799561e+00 2.18 -3.022693647e+00 -3.022693647e+00 2.20 -3.285680756e+00 -3.285680756e+00 2.22 -3.517540030e+00 -3.517540030e+00 2.24 -3.720797909e+00 -3.720797909e+00 2.26 -3.897758759e+00 -3.897758759e+00 2.28 -4.050538518e+00 -4.050538518e+00 2.30 -4.181093653e+00 -4.181093653e+00 2.32 -4.291246712e+00 -4.291246712e+00 2.34 -4.383777516e+00 -4.383777516e+00 2.36 -4.460696631e+00 -4.460696631e+00 2.38 -4.522982126e+00 -4.522982126e+00 2.40 -4.571592943e+00 -4.571592943e+00 2.42 -4.607470352e+00 -4.607470352e+00 2.44 -4.631546730e+00 -4.631546730e+00 2.46 -4.644756799e+00 -4.644756799e+00 2.48 -4.648120547e+00 -4.648120547e+00 2.50 -4.642597996e+00 -4.642597996e+00 2.52 -4.629075890e+00 -4.629075890e+00 2.54 -4.608478674e+00 -4.608478674e+00 2.56 -4.581745727e+00 -4.581745727e+00 2.58 -4.549795754e+00 -4.549795754e+00 2.60 -4.513482820e+00 -4.513482820e+00 2.62 -4.473609981e+00 -4.473609981e+00 2.64 -4.430928854e+00 -4.430928854e+00 2.66 -4.385559329e+00 -4.385559329e+00 2.68 -4.337516314e+00 -4.337516314e+00 2.70 -4.286793040e+00 -4.286793040e+00 2.72 -4.233375865e+00 -4.233375865e+00 2.74 -4.177257052e+00 -4.177257052e+00 2.76 -4.118440938e+00 -4.118440938e+00 2.78 -4.056946271e+00 -4.056946271e+00 2.80 -3.992821717e+00 -3.992821717e+00 2.82 -3.926129794e+00 -3.926129794e+00 2.84 -3.856939268e+00 -3.856939268e+00 2.86 -3.785336093e+00 -3.785336093e+00 2.88 -3.711438673e+00 -3.711438673e+00 2.90 -3.635414651e+00 -3.635414651e+00 2.92 -3.557495739e+00 -3.557495739e+00 2.94 -3.477986563e+00 -3.477986563e+00 2.96 -3.397263856e+00 -3.397263856e+00 2.98 -3.315763736e+00 -3.315763736e+00 3.00 -3.233957444e+00 -3.233957444e+00 3.02 -3.152318928e+00 -3.152318928e+00 3.04 -3.071290169e+00 -3.071290169e+00 3.06 -2.991290791e+00 -2.991290791e+00 3.08 -2.912751824e+00 -2.912751824e+00 3.10 -2.835980287e+00 -2.835980287e+00 3.12 -2.761149561e+00 -2.761149561e+00 3.14 -2.688325128e+00 -2.688325128e+00 3.16 -2.617493502e+00 -2.617493502e+00 3.18 -2.548589722e+00 -2.548589722e+00 3.20 -2.481520340e+00 -2.481520340e+00 3.22 -2.416180751e+00 -2.416180751e+00 3.24 -2.352467026e+00 -2.352467026e+00 3.26 -2.290283174e+00 -2.290283174e+00 3.28 -2.229545002e+00 -2.229545002e+00 3.30 -2.170181655e+00 -2.170181655e+00 3.32 -2.112135641e+00 -2.112135641e+00 3.34 -2.055361941e+00 -2.055361941e+00 3.36 -1.999826566e+00 -1.999826566e+00 3.38 -1.945504796e+00 -1.945504796e+00 3.40 -1.892379280e+00 -1.892379280e+00 3.42 -1.840438080e+00 -1.840438080e+00 3.44 -1.789672772e+00 -1.789672772e+00 3.46 -1.740076682e+00 -1.740076682e+00 3.48 -1.691643303e+00 -1.691643303e+00 3.50 -1.644364944e+00 -1.644364944e+00 3.52 -1.598231650e+00 -1.598231650e+00 3.54 -1.553230396e+00 -1.553230396e+00 3.56 -1.509344555e+00 -1.509344555e+00 3.58 -1.466553666e+00 -1.466553666e+00 3.60 -1.424833466e+00 -1.424833466e+00 3.62 -1.384156196e+00 -1.384156196e+00 3.64 -1.344491172e+00 -1.344491172e+00 3.66 -1.305805571e+00 -1.305805571e+00 3.68 -1.268065396e+00 -1.268065396e+00 3.70 -1.231236548e+00 -1.231236548e+00 3.72 -1.195285879e+00 -1.195285879e+00 3.74 -1.160182130e+00 -1.160182130e+00 3.76 -1.125896611e+00 -1.125896611e+00 3.78 -1.092403520e+00 -1.092403520e+00 3.80 -1.059679828e+00 -1.059679828e+00 3.82 -1.027704742e+00 -1.027704742e+00 3.84 -9.964587901e-01 -9.964587901e-01 3.86 -9.659226892e-01 -9.659226892e-01 3.88 -9.360761680e-01 -9.360761680e-01 3.90 -9.068969388e-01 -9.068969388e-01 3.92 -8.783599894e-01 -8.783599894e-01 3.94 -8.504373168e-01 -8.504373168e-01 3.96 -8.230981339e-01 -8.230981339e-01 3.98 -7.963095577e-01 -7.963095577e-01 4.00 -7.700376990e-01 -7.700376990e-01 4.02 -7.442490724e-01 -7.442490724e-01 4.04 -7.189122205e-01 -7.189122205e-01 4.06 -6.939994432e-01 -6.939994432e-01 4.08 -6.694885105e-01 -6.694885105e-01 4.10 -6.453642261e-01 -6.453642261e-01 4.12 -6.216197120e-01 -6.216197120e-01 4.14 -5.982572184e-01 -5.982572184e-01 4.16 -5.752883832e-01 -5.752883832e-01 4.18 -5.527337915e-01 -5.527337915e-01 4.20 -5.306218207e-01 -5.306218207e-01 4.22 -5.089868199e-01 -5.089868199e-01 4.24 -4.878667659e-01 -4.878667659e-01 4.26 -4.673006138e-01 -4.673006138e-01 4.28 -4.473256059e-01 -4.473256059e-01 4.30 -4.279748037e-01 -4.279748037e-01 4.32 -4.092750699e-01 -4.092750699e-01 4.34 -3.912456548e-01 -3.912456548e-01 4.36 -3.738974474e-01 -3.738974474e-01 4.38 -3.572328567e-01 -3.572328567e-01 4.40 -3.412462048e-01 -3.412462048e-01 4.42 -3.259244633e-01 -3.259244633e-01 4.44 -3.112481508e-01 -3.112481508e-01 4.46 -2.971922414e-01 -2.971922414e-01 4.48 -2.837269909e-01 -2.837269909e-01 4.50 -2.708186548e-01 -2.708186548e-01 4.52 -2.584301316e-01 -2.584301316e-01 4.54 -2.465215982e-01 -2.465215982e-01 4.56 -2.350512124e-01 -2.350512124e-01 4.58 -2.239759382e-01 -2.239759382e-01 4.60 -2.132525214e-01 -2.132525214e-01 4.62 -2.028386116e-01 -2.028386116e-01 4.64 -1.926939955e-01 -1.926939955e-01 4.66 -1.827818897e-01 -1.827818897e-01 4.68 -1.730702282e-01 -1.730702282e-01 4.70 -1.635328718e-01 -1.635328718e-01 4.72 -1.541506650e-01 -1.541506650e-01 4.74 -1.449122632e-01 -1.449122632e-01 4.76 -1.358146559e-01 -1.358146559e-01 4.78 -1.268633169e-01 -1.268633169e-01 4.80 -1.180719302e-01 -1.180719302e-01 4.82 -1.094616663e-01 -1.094616663e-01 4.84 -1.010600092e-01 -1.010600092e-01 4.86 -9.289919227e-02 -9.289919227e-02 4.88 -8.501432601e-02 -8.501432601e-02 4.90 -7.744134579e-02 -7.744134579e-02 4.92 -7.021492776e-02 -7.021492776e-02 4.94 -6.336652694e-02 -6.336652694e-02 4.96 -5.692267705e-02 -5.692267705e-02 4.98 -5.090367517e-02 -5.090367517e-02 5.00 -4.532271457e-02 -4.532271457e-02 5.02 -4.018549308e-02 -4.018549308e-02 5.04 -3.549029111e-02 -3.549029111e-02 5.06 -3.122846086e-02 -3.122846086e-02 5.08 -2.738553721e-02 -2.738553721e-02 5.10 -2.394185404e-02 -2.394185404e-02 5.12 -2.087332983e-02 -2.087332983e-02 5.14 -1.815329947e-02 -1.815329947e-02 5.16 -1.575357455e-02 -1.575357455e-02 5.18 -1.364517053e-02 -1.364517053e-02 5.20 -1.179984868e-02 -1.179984868e-02 5.22 -1.019033549e-02 -1.019033549e-02 5.24 -8.790685638e-03 -8.790685638e-03 5.26 -7.576651222e-03 -7.576651222e-03 5.28 -6.525902927e-03 -6.525902927e-03 5.30 -5.618131250e-03 -5.618131250e-03 5.32 -4.835055360e-03 -4.835055360e-03 5.34 -4.160364475e-03 -4.160364475e-03 5.36 -3.579613089e-03 -3.579613089e-03 5.38 -3.080087350e-03 -3.080087350e-03 5.40 -2.650656117e-03 -2.650656117e-03 5.42 -2.281616745e-03 -2.281616745e-03 5.44 -1.964542795e-03 -1.964542795e-03 5.46 -1.692138461e-03 -1.692138461e-03 5.48 -1.458102739e-03 -1.458102739e-03 5.50 -1.257004956e-03 -1.257004956e-03 5.52 -1.084172334e-03 -1.084172334e-03 5.54 -9.355895342e-04 -9.355895342e-04 5.56 -8.078097249e-04 -8.078097249e-04 5.58 -6.978764103e-04 -6.978764103e-04 5.60 -6.032551258e-04 -6.032551258e-04 5.62 -5.217740381e-04 -5.217740381e-04 5.64 -4.515724915e-04 -4.515724915e-04 5.66 -3.910565784e-04 -3.910565784e-04 5.68 -3.388608745e-04 -3.388608745e-04 5.70 -2.938155510e-04 -2.938155510e-04 5.72 -2.549181565e-04 -2.549181565e-04 5.74 -2.213094365e-04 -2.213094365e-04 5.76 -1.922526337e-04 -1.922526337e-04 5.78 -1.671157829e-04 -1.671157829e-04 5.80 -1.453565744e-04 -1.453565744e-04 5.82 -1.265094187e-04 -1.265094187e-04 5.84 -1.101743957e-04 -1.101743957e-04 5.86 -9.600781271e-05 -9.600781271e-05 5.88 -8.371413943e-05 -8.371413943e-05 5.90 -7.303911613e-05 -7.303911613e-05 5.92 -6.376386465e-05 -6.376386465e-05 5.94 -5.569985430e-05 -5.569985430e-05 5.96 -4.868459746e-05 -4.868459746e-05 5.98 -4.257796757e-05 -4.257796757e-05 6.00 -3.725904842e-05 -3.725904842e-05