# 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 = MgPb2Pt # 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 4.216038045e+02 4.216038045e+02 1.30 3.937605806e+02 3.937605806e+02 1.32 3.678134770e+02 3.678134770e+02 1.34 3.436204939e+02 3.436204939e+02 1.36 3.210534798e+02 3.210534798e+02 1.38 2.999927898e+02 2.999927898e+02 1.40 2.803249709e+02 2.803249709e+02 1.42 2.619440394e+02 2.619440394e+02 1.44 2.447536332e+02 2.447536332e+02 1.46 2.286675265e+02 2.286675265e+02 1.48 2.136083524e+02 2.136083524e+02 1.50 1.995057139e+02 1.995057139e+02 1.52 1.862942602e+02 1.862942602e+02 1.54 1.739121493e+02 1.739121493e+02 1.56 1.623005095e+02 1.623005095e+02 1.58 1.514039713e+02 1.514039713e+02 1.60 1.411715678e+02 1.411715678e+02 1.62 1.315572109e+02 1.315572109e+02 1.64 1.225194355e+02 1.225194355e+02 1.66 1.140207034e+02 1.140207034e+02 1.68 1.060268633e+02 1.060268633e+02 1.70 9.850696857e+01 9.850696857e+01 1.72 9.145848873e+01 9.145848873e+01 1.74 8.490689772e+01 8.490689772e+01 1.76 7.881980971e+01 7.881980971e+01 1.78 7.316393806e+01 7.316393806e+01 1.80 6.790716411e+01 6.790716411e+01 1.82 6.301893164e+01 6.301893164e+01 1.84 5.847066628e+01 5.847066628e+01 1.86 5.423596189e+01 5.423596189e+01 1.88 5.029063406e+01 5.029063406e+01 1.90 4.661273259e+01 4.661273259e+01 1.92 4.318253465e+01 4.318253465e+01 1.94 3.998244503e+01 3.998244503e+01 1.96 3.699673383e+01 3.699673383e+01 1.98 3.421114925e+01 3.421114925e+01 2.00 3.161254397e+01 3.161254397e+01 2.02 2.918862296e+01 2.918862296e+01 2.04 2.692782337e+01 2.692782337e+01 2.06 2.481928033e+01 2.481928033e+01 2.08 2.285282694e+01 2.285282694e+01 2.10 2.101898315e+01 2.101898315e+01 2.12 1.930893234e+01 1.930893234e+01 2.14 1.771447753e+01 1.771447753e+01 2.16 1.622799433e+01 1.622799433e+01 2.18 1.484239079e+01 1.484239079e+01 2.20 1.355107215e+01 1.355107215e+01 2.22 1.234791329e+01 1.234791329e+01 2.24 1.122723058e+01 1.122723058e+01 2.26 1.018375228e+01 1.018375228e+01 2.28 9.212587904e+00 9.212587904e+00 2.30 8.309188201e+00 8.309188201e+00 2.32 7.469300075e+00 7.469300075e+00 2.34 6.688926045e+00 6.688926045e+00 2.36 5.964273785e+00 5.964273785e+00 2.38 5.291719359e+00 5.291719359e+00 2.40 4.667783689e+00 4.667783689e+00 2.42 4.089129533e+00 4.089129533e+00 2.44 3.552579255e+00 3.552579255e+00 2.46 3.055147053e+00 3.055147053e+00 2.48 2.593373371e+00 2.593373371e+00 2.50 2.164131305e+00 2.164131305e+00 2.52 1.765484253e+00 1.765484253e+00 2.54 1.395645920e+00 1.395645920e+00 2.56 1.052948933e+00 1.052948933e+00 2.58 7.358185503e-01 7.358185503e-01 2.60 4.427563401e-01 4.427563401e-01 2.62 1.723356095e-01 1.723356095e-01 2.64 -7.680259705e-02 -7.680259705e-02 2.66 -3.059392537e-01 -3.059392537e-01 2.68 -5.162819165e-01 -5.162819165e-01 2.70 -7.089643723e-01 -7.089643723e-01 2.72 -8.850493473e-01 -8.850493473e-01 2.74 -1.045531783e+00 -1.045531783e+00 2.76 -1.191342154e+00 -1.191342154e+00 2.78 -1.323349572e+00 -1.323349572e+00 2.80 -1.442367357e+00 -1.442367357e+00 2.82 -1.549156321e+00 -1.549156321e+00 2.84 -1.644434056e+00 -1.644434056e+00 2.86 -1.728884565e+00 -1.728884565e+00 2.88 -1.803170416e+00 -1.803170416e+00 2.90 -1.867945879e+00 -1.867945879e+00 2.92 -1.923868946e+00 -1.923868946e+00 2.94 -1.971609416e+00 -1.971609416e+00 2.96 -2.011850186e+00 -2.011850186e+00 2.98 -2.045279966e+00 -2.045279966e+00 3.00 -2.072577903e+00 -2.072577903e+00 3.02 -2.094393260e+00 -2.094393260e+00 3.04 -2.111324480e+00 -2.111324480e+00 3.06 -2.123907370e+00 -2.123907370e+00 3.08 -2.132603795e+00 -2.132603795e+00 3.10 -2.137807873e+00 -2.137807873e+00 3.12 -2.139853144e+00 -2.139853144e+00 3.14 -2.139031376e+00 -2.139031376e+00 3.16 -2.135595589e+00 -2.135595589e+00 3.18 -2.129776570e+00 -2.129776570e+00 3.20 -2.121786859e+00 -2.121786859e+00 3.22 -2.111822942e+00 -2.111822942e+00 3.24 -2.100065073e+00 -2.100065073e+00 3.26 -2.086676249e+00 -2.086676249e+00 3.28 -2.071808394e+00 -2.071808394e+00 3.30 -2.055643189e+00 -2.055643189e+00 3.32 -2.038289937e+00 -2.038289937e+00 3.34 -2.019858598e+00 -2.019858598e+00 3.36 -2.000446854e+00 -2.000446854e+00 3.38 -1.980141612e+00 -1.980141612e+00 3.40 -1.959021935e+00 -1.959021935e+00 3.42 -1.937162385e+00 -1.937162385e+00 3.44 -1.914632674e+00 -1.914632674e+00 3.46 -1.891499622e+00 -1.891499622e+00 3.48 -1.867832306e+00 -1.867832306e+00 3.50 -1.843684829e+00 -1.843684829e+00 3.52 -1.819088825e+00 -1.819088825e+00 3.54 -1.794077552e+00 -1.794077552e+00 3.56 -1.768685230e+00 -1.768685230e+00 3.58 -1.742946532e+00 -1.742946532e+00 3.60 -1.716896347e+00 -1.716896347e+00 3.62 -1.690569793e+00 -1.690569793e+00 3.64 -1.664002418e+00 -1.664002418e+00 3.66 -1.637230447e+00 -1.637230447e+00 3.68 -1.610286471e+00 -1.610286471e+00 3.70 -1.583190097e+00 -1.583190097e+00 3.72 -1.555962168e+00 -1.555962168e+00 3.74 -1.528627359e+00 -1.528627359e+00 3.76 -1.501212957e+00 -1.501212957e+00 3.78 -1.473747506e+00 -1.473747506e+00 3.80 -1.446259436e+00 -1.446259436e+00 3.82 -1.418775802e+00 -1.418775802e+00 3.84 -1.391321282e+00 -1.391321282e+00 3.86 -1.363917485e+00 -1.363917485e+00 3.88 -1.336582591e+00 -1.336582591e+00 3.90 -1.309331260e+00 -1.309331260e+00 3.92 -1.282174068e+00 -1.282174068e+00 3.94 -1.255120726e+00 -1.255120726e+00 3.96 -1.228175913e+00 -1.228175913e+00 3.98 -1.201343077e+00 -1.201343077e+00 4.00 -1.174624295e+00 -1.174624295e+00 4.02 -1.148021152e+00 -1.148021152e+00 4.04 -1.121535790e+00 -1.121535790e+00 4.06 -1.095172105e+00 -1.095172105e+00 4.08 -1.068937022e+00 -1.068937022e+00 4.10 -1.042840049e+00 -1.042840049e+00 4.12 -1.016901619e+00 -1.016901619e+00 4.14 -9.911425203e-01 -9.911425203e-01 4.16 -9.655921795e-01 -9.655921795e-01 4.18 -9.402861870e-01 -9.402861870e-01 4.20 -9.152652077e-01 -9.152652077e-01 4.22 -8.905731764e-01 -8.905731764e-01 4.24 -8.662549260e-01 -8.662549260e-01 4.26 -8.423534990e-01 -8.423534990e-01 4.28 -8.189074641e-01 -8.189074641e-01 4.30 -7.959485634e-01 -7.959485634e-01 4.32 -7.734999559e-01 -7.734999559e-01 4.34 -7.515752133e-01 -7.515752133e-01 4.36 -7.301780988e-01 -7.301780988e-01 4.38 -7.093030424e-01 -7.093030424e-01 4.40 -6.889361473e-01 -6.889361473e-01 4.42 -6.690565288e-01 -6.690565288e-01 4.44 -6.496377941e-01 -6.496377941e-01 4.46 -6.306495073e-01 -6.306495073e-01 4.48 -6.120585370e-01 -6.120585370e-01 4.50 -5.938302336e-01 -5.938302336e-01 4.52 -5.759294285e-01 -5.759294285e-01 4.54 -5.583212812e-01 -5.583212812e-01 4.56 -5.409720167e-01 -5.409720167e-01 4.58 -5.238496066e-01 -5.238496066e-01 4.60 -5.069244418e-01 -5.069244418e-01 4.62 -4.901700399e-01 -4.901700399e-01 4.64 -4.735638089e-01 -4.735638089e-01 4.66 -4.570878739e-01 -4.570878739e-01 4.68 -4.407299457e-01 -4.407299457e-01 4.70 -4.244841861e-01 -4.244841861e-01 4.72 -4.083519997e-01 -4.083519997e-01 4.74 -3.923426573e-01 -3.923426573e-01 4.76 -3.764736482e-01 -3.764736482e-01 4.78 -3.607706516e-01 -3.607706516e-01 4.80 -3.452654235e-01 -3.452654235e-01 4.82 -3.300015040e-01 -3.300015040e-01 4.84 -3.150221653e-01 -3.150221653e-01 4.86 -3.003757371e-01 -3.003757371e-01 4.88 -2.861113590e-01 -2.861113590e-01 4.90 -2.722765094e-01 -2.722765094e-01 4.92 -2.589146044e-01 -2.589146044e-01 4.94 -2.460628814e-01 -2.460628814e-01 4.96 -2.337507468e-01 -2.337507468e-01 4.98 -2.219987140e-01 -2.219987140e-01 5.00 -2.108179791e-01 -2.108179791e-01 5.02 -2.002106130e-01 -2.002106130e-01 5.04 -1.901702839e-01 -1.901702839e-01 5.06 -1.806833828e-01 -1.806833828e-01 5.08 -1.717304072e-01 -1.717304072e-01 5.10 -1.632874577e-01 -1.632874577e-01 5.12 -1.553277222e-01 -1.553277222e-01 5.14 -1.478228479e-01 -1.478228479e-01 5.16 -1.407441310e-01 -1.407441310e-01 5.18 -1.340634842e-01 -1.340634842e-01 5.20 -1.277541643e-01 -1.277541643e-01 5.22 -1.217912653e-01 -1.217912653e-01 5.24 -1.161519943e-01 -1.161519943e-01 5.26 -1.108157527e-01 -1.108157527e-01 5.28 -1.057640681e-01 -1.057640681e-01 5.30 -1.009804090e-01 -1.009804090e-01 5.32 -9.644992061e-02 -9.644992061e-02 5.34 -9.215912059e-02 -9.215912059e-02 5.36 -8.809558901e-02 -8.809558901e-02 5.38 -8.424767545e-02 -8.424767545e-02 5.40 -8.060425040e-02 -8.060425040e-02 5.42 -7.715451067e-02 -7.715451067e-02 5.44 -7.388784330e-02 -7.388784330e-02 5.46 -7.079374626e-02 -7.079374626e-02 5.48 -6.786179890e-02 -6.786179890e-02 5.50 -6.508167216e-02 -6.508167216e-02 5.52 -6.244316709e-02 -6.244316709e-02 5.54 -5.993623479e-02 -5.993623479e-02 5.56 -5.755080213e-02 -5.755080213e-02 5.58 -5.527748135e-02 -5.527748135e-02 5.60 -5.310731541e-02 -5.310731541e-02 5.62 -5.103172491e-02 -5.103172491e-02 5.64 -4.904255688e-02 -4.904255688e-02 5.66 -4.713212017e-02 -4.713212017e-02 5.68 -4.529320925e-02 -4.529320925e-02 5.70 -4.351911829e-02 -4.351911829e-02 5.72 -4.180364797e-02 -4.180364797e-02 5.74 -4.014110731e-02 -4.014110731e-02 5.76 -3.852631261e-02 -3.852631261e-02 5.78 -3.695458525e-02 -3.695458525e-02 5.80 -3.542174981e-02 -3.542174981e-02 5.82 -3.392413326e-02 -3.392413326e-02 5.84 -3.245856562e-02 -3.245856562e-02 5.86 -3.102238192e-02 -3.102238192e-02 5.88 -2.961342470e-02 -2.961342470e-02 5.90 -2.823004589e-02 -2.823004589e-02 5.92 -2.687110637e-02 -2.687110637e-02 5.94 -2.553597159e-02 -2.553597159e-02 5.96 -2.422450092e-02 -2.422450092e-02 5.98 -2.293702732e-02 -2.293702732e-02 6.00 -2.167432903e-02 -2.167432903e-02