# 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 = Al2CoPt # 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 1.578153813e+02 1.578153813e+02 1.30 1.466302463e+02 1.466302463e+02 1.32 1.361948677e+02 1.361948677e+02 1.34 1.264583432e+02 1.264583432e+02 1.36 1.173752519e+02 1.173752519e+02 1.38 1.088982930e+02 1.088982930e+02 1.40 1.009769672e+02 1.009769672e+02 1.42 9.356205533e+01 9.356205533e+01 1.44 8.661137086e+01 8.661137086e+01 1.46 8.009273799e+01 8.009273799e+01 1.48 7.398258279e+01 7.398258279e+01 1.50 6.826128984e+01 6.826128984e+01 1.52 6.290836771e+01 6.290836771e+01 1.54 5.790009930e+01 5.790009930e+01 1.56 5.321011384e+01 5.321011384e+01 1.58 4.881142056e+01 4.881142056e+01 1.60 4.467838122e+01 4.467838122e+01 1.62 4.078809551e+01 4.078809551e+01 1.64 3.712683199e+01 3.712683199e+01 1.66 3.373167267e+01 3.373167267e+01 1.68 3.059775982e+01 3.059775982e+01 1.70 2.771072133e+01 2.771072133e+01 1.72 2.505569766e+01 2.505569766e+01 1.74 2.261633900e+01 2.261633900e+01 1.76 2.037581346e+01 2.037581346e+01 1.78 1.831704605e+01 1.831704605e+01 1.80 1.642344252e+01 1.642344252e+01 1.82 1.467967037e+01 1.467967037e+01 1.84 1.307211015e+01 1.307211015e+01 1.86 1.158889327e+01 1.158889327e+01 1.88 1.021969253e+01 1.021969253e+01 1.90 8.955464628e+00 8.955464628e+00 1.92 7.788237471e+00 7.788237471e+00 1.94 6.710932415e+00 6.710932415e+00 1.96 5.717191633e+00 5.717191633e+00 1.98 4.801213802e+00 4.801213802e+00 2.00 3.957621094e+00 3.957621094e+00 2.02 3.181371467e+00 3.181371467e+00 2.04 2.467714582e+00 2.467714582e+00 2.06 1.812174768e+00 1.812174768e+00 2.08 1.210536694e+00 1.210536694e+00 2.10 6.588195035e-01 6.588195035e-01 2.12 1.532457690e-01 1.532457690e-01 2.14 -3.097759576e-01 -3.097759576e-01 2.16 -7.336412339e-01 -7.336412339e-01 2.18 -1.121514685e+00 -1.121514685e+00 2.20 -1.476286331e+00 -1.476286331e+00 2.22 -1.800539325e+00 -1.800539325e+00 2.24 -2.096541226e+00 -2.096541226e+00 2.26 -2.366259298e+00 -2.366259298e+00 2.28 -2.611392421e+00 -2.611392421e+00 2.30 -2.833410749e+00 -2.833410749e+00 2.32 -3.033597368e+00 -3.033597368e+00 2.34 -3.213089071e+00 -3.213089071e+00 2.36 -3.372915811e+00 -3.372915811e+00 2.38 -3.514038265e+00 -3.514038265e+00 2.40 -3.638129726e+00 -3.638129726e+00 2.42 -3.746618954e+00 -3.746618954e+00 2.44 -3.840147088e+00 -3.840147088e+00 2.46 -3.919432351e+00 -3.919432351e+00 2.48 -3.985273477e+00 -3.985273477e+00 2.50 -4.038551926e+00 -4.038551926e+00 2.52 -4.080233502e+00 -4.080233502e+00 2.54 -4.111367635e+00 -4.111367635e+00 2.56 -4.133100754e+00 -4.133100754e+00 2.58 -4.146636252e+00 -4.146636252e+00 2.60 -4.153139221e+00 -4.153139221e+00 2.62 -4.153749778e+00 -4.153749778e+00 2.64 -4.149518556e+00 -4.149518556e+00 2.66 -4.141341444e+00 -4.141341444e+00 2.68 -4.129912853e+00 -4.129912853e+00 2.70 -4.115709275e+00 -4.115709275e+00 2.72 -4.099004419e+00 -4.099004419e+00 2.74 -4.080059321e+00 -4.080059321e+00 2.76 -4.059825997e+00 -4.059825997e+00 2.78 -4.037992886e+00 -4.037992886e+00 2.80 -4.014062126e+00 -4.014062126e+00 2.82 -3.987614633e+00 -3.987614633e+00 2.84 -3.958312325e+00 -3.958312325e+00 2.86 -3.925899983e+00 -3.925899983e+00 2.88 -3.890208150e+00 -3.890208150e+00 2.90 -3.851157546e+00 -3.851157546e+00 2.92 -3.808764303e+00 -3.808764303e+00 2.94 -3.763151042e+00 -3.763151042e+00 2.96 -3.714555866e+00 -3.714555866e+00 2.98 -3.663305739e+00 -3.663305739e+00 3.00 -3.609798175e+00 -3.609798175e+00 3.02 -3.554478171e+00 -3.554478171e+00 3.04 -3.497810365e+00 -3.497810365e+00 3.06 -3.440250018e+00 -3.440250018e+00 3.08 -3.382216150e+00 -3.382216150e+00 3.10 -3.324069961e+00 -3.324069961e+00 3.12 -3.266100476e+00 -3.266100476e+00 3.14 -3.208518671e+00 -3.208518671e+00 3.16 -3.151459699e+00 -3.151459699e+00 3.18 -3.094992096e+00 -3.094992096e+00 3.20 -3.039131326e+00 -3.039131326e+00 3.22 -2.983855078e+00 -2.983855078e+00 3.24 -2.929117947e+00 -2.929117947e+00 3.26 -2.874871397e+00 -2.874871397e+00 3.28 -2.821090934e+00 -2.821090934e+00 3.30 -2.767756178e+00 -2.767756178e+00 3.32 -2.714849130e+00 -2.714849130e+00 3.34 -2.662357503e+00 -2.662357503e+00 3.36 -2.610276308e+00 -2.610276308e+00 3.38 -2.558608291e+00 -2.558608291e+00 3.40 -2.507363687e+00 -2.507363687e+00 3.42 -2.456559558e+00 -2.456559558e+00 3.44 -2.406218828e+00 -2.406218828e+00 3.46 -2.356369160e+00 -2.356369160e+00 3.48 -2.307041657e+00 -2.307041657e+00 3.50 -2.258269451e+00 -2.258269451e+00 3.52 -2.210086210e+00 -2.210086210e+00 3.54 -2.162524648e+00 -2.162524648e+00 3.56 -2.115615087e+00 -2.115615087e+00 3.58 -2.069384158e+00 -2.069384158e+00 3.60 -2.023853691e+00 -2.023853691e+00 3.62 -1.979039843e+00 -1.979039843e+00 3.64 -1.934952496e+00 -1.934952496e+00 3.66 -1.891594931e+00 -1.891594931e+00 3.68 -1.848963783e+00 -1.848963783e+00 3.70 -1.807049245e+00 -1.807049245e+00 3.72 -1.765835489e+00 -1.765835489e+00 3.74 -1.725301271e+00 -1.725301271e+00 3.76 -1.685420647e+00 -1.685420647e+00 3.78 -1.646163766e+00 -1.646163766e+00 3.80 -1.607497683e+00 -1.607497683e+00 3.82 -1.569387146e+00 -1.569387146e+00 3.84 -1.531795345e+00 -1.531795345e+00 3.86 -1.494684585e+00 -1.494684585e+00 3.88 -1.458016896e+00 -1.458016896e+00 3.90 -1.421754572e+00 -1.421754572e+00 3.92 -1.385860651e+00 -1.385860651e+00 3.94 -1.350299414e+00 -1.350299414e+00 3.96 -1.315036801e+00 -1.315036801e+00 3.98 -1.280040971e+00 -1.280040971e+00 4.00 -1.245282904e+00 -1.245282904e+00 4.02 -1.210737164e+00 -1.210737164e+00 4.04 -1.176382839e+00 -1.176382839e+00 4.06 -1.142204681e+00 -1.142204681e+00 4.08 -1.108194407e+00 -1.108194407e+00 4.10 -1.074352111e+00 -1.074352111e+00 4.12 -1.040687738e+00 -1.040687738e+00 4.14 -1.007222233e+00 -1.007222233e+00 4.16 -9.739885172e-01 -9.739885172e-01 4.18 -9.410318413e-01 -9.410318413e-01 4.20 -9.084094545e-01 -9.084094545e-01 4.22 -8.761894718e-01 -8.761894718e-01 4.24 -8.444488979e-01 -8.444488979e-01 4.26 -8.132708529e-01 -8.132708529e-01 4.28 -7.827411273e-01 -7.827411273e-01 4.30 -7.529442630e-01 -7.529442630e-01 4.32 -7.239594172e-01 -7.239594172e-01 4.34 -6.958563119e-01 -6.958563119e-01 4.36 -6.686915868e-01 -6.686915868e-01 4.38 -6.425058581e-01 -6.425058581e-01 4.40 -6.173217275e-01 -6.173217275e-01 4.42 -5.931428901e-01 -5.931428901e-01 4.44 -5.699543651e-01 -5.699543651e-01 4.46 -5.477237563e-01 -5.477237563e-01 4.48 -5.264033434e-01 -5.264033434e-01 4.50 -5.059327520e-01 -5.059327520e-01 4.52 -4.862419323e-01 -4.862419323e-01 4.54 -4.672542088e-01 -4.672542088e-01 4.56 -4.488892153e-01 -4.488892153e-01 4.58 -4.310655991e-01 -4.310655991e-01 4.60 -4.137034398e-01 -4.137034398e-01 4.62 -3.967263800e-01 -3.967263800e-01 4.64 -3.800634963e-01 -3.800634963e-01 4.66 -3.636509539e-01 -3.636509539e-01 4.68 -3.474334813e-01 -3.474334813e-01 4.70 -3.313656879e-01 -3.313656879e-01 4.72 -3.154132195e-01 -3.154132195e-01 4.74 -2.995537197e-01 -2.995537197e-01 4.76 -2.837775401e-01 -2.837775401e-01 4.78 -2.680881230e-01 -2.680881230e-01 4.80 -2.525019663e-01 -2.525019663e-01 4.82 -2.370481699e-01 -2.370481699e-01 4.84 -2.217673368e-01 -2.217673368e-01 4.86 -2.067100691e-01 -2.067100691e-01 4.88 -1.919349048e-01 -1.919349048e-01 4.90 -1.775058554e-01 -1.775058554e-01 4.92 -1.634896532e-01 -1.634896532e-01 4.94 -1.499528599e-01 -1.499528599e-01 4.96 -1.369590008e-01 -1.369590008e-01 4.98 -1.245658947e-01 -1.245658947e-01 5.00 -1.128233331e-01 -1.128233331e-01 5.02 -1.017712373e-01 -1.017712373e-01 5.04 -9.143838722e-02 -9.143838722e-02 5.06 -8.184177761e-02 -8.184177761e-02 5.08 -7.298659211e-02 -7.298659211e-02 5.10 -6.486673609e-02 -6.486673609e-02 5.12 -5.746585170e-02 -5.746585170e-02 5.14 -5.075870115e-02 -5.075870115e-02 5.16 -4.471280145e-02 -4.471280145e-02 5.18 -3.929013326e-02 -3.929013326e-02 5.20 -3.444861743e-02 -3.444861743e-02 5.22 -3.014378687e-02 -3.014378687e-02 5.24 -2.633104921e-02 -2.633104921e-02 5.26 -2.296593921e-02 -2.296593921e-02 5.28 -2.000510083e-02 -2.000510083e-02 5.30 -1.740708073e-02 -1.740708073e-02 5.32 -1.513286297e-02 -1.513286297e-02 5.34 -1.314621052e-02 -1.314621052e-02 5.36 -1.141385098e-02 -1.141385098e-02 5.38 -9.905961082e-03 -9.905961082e-03 5.40 -8.595150986e-03 -8.595150986e-03 5.42 -7.456630813e-03 -7.456630813e-03 5.44 -6.468459609e-03 -6.468459609e-03 5.46 -5.611281238e-03 -5.611281238e-03 5.48 -4.868071303e-03 -4.868071303e-03 5.50 -4.223897349e-03 -4.223897349e-03 5.52 -3.665694160e-03 -3.665694160e-03 5.54 -3.182055376e-03 -3.182055376e-03 5.56 -2.763042087e-03 -2.763042087e-03 5.58 -2.400008562e-03 -2.400008562e-03 5.60 -2.085444793e-03 -2.085444793e-03 5.62 -1.812835247e-03 -1.812835247e-03 5.64 -1.576532907e-03 -1.576532907e-03 5.66 -1.371647554e-03 -1.371647554e-03 5.68 -1.193947154e-03 -1.193947154e-03 5.70 -1.039771144e-03 -1.039771144e-03 5.72 -9.059544651e-04 -9.059544651e-04 5.74 -7.897611988e-04 -7.897611988e-04 5.76 -6.888267431e-04 -6.888267431e-04 5.78 -6.011075406e-04 -6.011075406e-04 5.80 -5.248374497e-04 -5.248374497e-04 5.82 -4.584899402e-04 -4.584899402e-04 5.84 -4.007453757e-04 -4.007453757e-04 5.86 -3.504627285e-04 -3.504627285e-04 5.88 -3.066551462e-04 -3.066551462e-04 5.90 -2.684688592e-04 -2.684688592e-04 5.92 -2.351649817e-04 -2.351649817e-04 5.94 -2.061038136e-04 -2.061038136e-04 5.96 -1.807313048e-04 -1.807313048e-04 5.98 -1.585673837e-04 -1.585673837e-04 6.00 -1.391958945e-04 -1.391958945e-04