# 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 = Mg2NiPd # 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 2.909930657e+02 2.909930657e+02 1.30 2.690781127e+02 2.690781127e+02 1.32 2.488301007e+02 2.488301007e+02 1.34 2.301145734e+02 2.301145734e+02 1.36 2.128081545e+02 2.128081545e+02 1.38 1.967974495e+02 1.967974495e+02 1.40 1.819782844e+02 1.819782844e+02 1.42 1.682553790e+02 1.682553790e+02 1.44 1.555422836e+02 1.555422836e+02 1.46 1.437608633e+02 1.437608633e+02 1.48 1.328400937e+02 1.328400937e+02 1.50 1.227147334e+02 1.227147334e+02 1.52 1.133244718e+02 1.133244718e+02 1.54 1.046135474e+02 1.046135474e+02 1.56 9.653045583e+01 9.653045583e+01 1.58 8.902754965e+01 8.902754965e+01 1.60 8.207231257e+01 8.207231257e+01 1.62 7.563155282e+01 7.563155282e+01 1.64 6.966571143e+01 6.966571143e+01 1.66 6.413933446e+01 6.413933446e+01 1.68 5.902039410e+01 5.902039410e+01 1.70 5.427972044e+01 5.427972044e+01 1.72 4.989042336e+01 4.989042336e+01 1.74 4.582742488e+01 4.582742488e+01 1.76 4.206714310e+01 4.206714310e+01 1.78 3.858733742e+01 3.858733742e+01 1.80 3.536709149e+01 3.536709149e+01 1.82 3.238687341e+01 3.238687341e+01 1.84 2.962857813e+01 2.962857813e+01 1.86 2.707550259e+01 2.707550259e+01 1.88 2.471225281e+01 2.471225281e+01 1.90 2.252464065e+01 2.252464065e+01 1.92 2.049960555e+01 2.049960555e+01 1.94 1.862515972e+01 1.862515972e+01 1.96 1.689033572e+01 1.689033572e+01 1.98 1.528511325e+01 1.528511325e+01 2.00 1.380031822e+01 1.380031822e+01 2.02 1.242750535e+01 1.242750535e+01 2.04 1.115884803e+01 1.115884803e+01 2.06 9.987052189e+00 9.987052189e+00 2.08 8.905298602e+00 8.905298602e+00 2.10 7.907212211e+00 7.907212211e+00 2.12 6.986846467e+00 6.986846467e+00 2.14 6.138673390e+00 6.138673390e+00 2.16 5.357569878e+00 5.357569878e+00 2.18 4.638791985e+00 4.638791985e+00 2.20 3.977940613e+00 3.977940613e+00 2.22 3.370920057e+00 3.370920057e+00 2.24 2.813901334e+00 2.813901334e+00 2.26 2.303293885e+00 2.303293885e+00 2.28 1.835723014e+00 1.835723014e+00 2.30 1.408015082e+00 1.408015082e+00 2.32 1.017178059e+00 1.017178059e+00 2.34 6.603927836e-01 6.603927836e-01 2.36 3.350088405e-01 3.350088405e-01 2.38 3.855130595e-02 3.855130595e-02 2.40 -2.312701155e-01 -2.312701155e-01 2.42 -4.765623430e-01 -4.765623430e-01 2.44 -6.992644251e-01 -6.992644251e-01 2.46 -9.011700263e-01 -9.011700263e-01 2.48 -1.084018888e+00 -1.084018888e+00 2.50 -1.249690839e+00 -1.249690839e+00 2.52 -1.399487706e+00 -1.399487706e+00 2.54 -1.534507039e+00 -1.534507039e+00 2.56 -1.655647833e+00 -1.655647833e+00 2.58 -1.763728915e+00 -1.763728915e+00 2.60 -1.859508530e+00 -1.859508530e+00 2.62 -1.943691758e+00 -1.943691758e+00 2.64 -2.016951593e+00 -2.016951593e+00 2.66 -2.079974475e+00 -2.079974475e+00 2.68 -2.133442446e+00 -2.133442446e+00 2.70 -2.178022448e+00 -2.178022448e+00 2.72 -2.214372308e+00 -2.214372308e+00 2.74 -2.243141054e+00 -2.243141054e+00 2.76 -2.264963974e+00 -2.264963974e+00 2.78 -2.280453866e+00 -2.280453866e+00 2.80 -2.290192808e+00 -2.290192808e+00 2.82 -2.294723924e+00 -2.294723924e+00 2.84 -2.294550663e+00 -2.294550663e+00 2.86 -2.290139472e+00 -2.290139472e+00 2.88 -2.281925743e+00 -2.281925743e+00 2.90 -2.270319773e+00 -2.270319773e+00 2.92 -2.255710132e+00 -2.255710132e+00 2.94 -2.238463203e+00 -2.238463203e+00 2.96 -2.218919378e+00 -2.218919378e+00 2.98 -2.197387758e+00 -2.197387758e+00 3.00 -2.174141684e+00 -2.174141684e+00 3.02 -2.149416902e+00 -2.149416902e+00 3.04 -2.123412799e+00 -2.123412799e+00 3.06 -2.096297868e+00 -2.096297868e+00 3.08 -2.068214020e+00 -2.068214020e+00 3.10 -2.039284271e+00 -2.039284271e+00 3.12 -2.009644829e+00 -2.009644829e+00 3.14 -1.979399830e+00 -1.979399830e+00 3.16 -1.948608442e+00 -1.948608442e+00 3.18 -1.917334822e+00 -1.917334822e+00 3.20 -1.885647381e+00 -1.885647381e+00 3.22 -1.853618283e+00 -1.853618283e+00 3.24 -1.821322733e+00 -1.821322733e+00 3.26 -1.788838094e+00 -1.788838094e+00 3.28 -1.756238174e+00 -1.756238174e+00 3.30 -1.723555041e+00 -1.723555041e+00 3.32 -1.690803645e+00 -1.690803645e+00 3.34 -1.658007448e+00 -1.658007448e+00 3.36 -1.625194394e+00 -1.625194394e+00 3.38 -1.592393546e+00 -1.592393546e+00 3.40 -1.559632755e+00 -1.559632755e+00 3.42 -1.526937819e+00 -1.526937819e+00 3.44 -1.494331689e+00 -1.494331689e+00 3.46 -1.461835087e+00 -1.461835087e+00 3.48 -1.429466876e+00 -1.429466876e+00 3.50 -1.397244531e+00 -1.397244531e+00 3.52 -1.365184480e+00 -1.365184480e+00 3.54 -1.333302320e+00 -1.333302320e+00 3.56 -1.301612903e+00 -1.301612903e+00 3.58 -1.270130341e+00 -1.270130341e+00 3.60 -1.238867989e+00 -1.238867989e+00 3.62 -1.207838409e+00 -1.207838409e+00 3.64 -1.177053394e+00 -1.177053394e+00 3.66 -1.146524065e+00 -1.146524065e+00 3.68 -1.116261097e+00 -1.116261097e+00 3.70 -1.086275105e+00 -1.086275105e+00 3.72 -1.056577200e+00 -1.056577200e+00 3.74 -1.027179712e+00 -1.027179712e+00 3.76 -9.980970027e-01 -9.980970027e-01 3.78 -9.693462726e-01 -9.693462726e-01 3.80 -9.409482041e-01 -9.409482041e-01 3.82 -9.129272567e-01 -9.129272567e-01 3.84 -8.853114536e-01 -8.853114536e-01 3.86 -8.581315554e-01 -8.581315554e-01 3.88 -8.314196326e-01 -8.314196326e-01 3.90 -8.052071866e-01 -8.052071866e-01 3.92 -7.795229119e-01 -7.795229119e-01 3.94 -7.543916052e-01 -7.543916052e-01 3.96 -7.298315554e-01 -7.298315554e-01 3.98 -7.058547824e-01 -7.058547824e-01 4.00 -6.824669544e-01 -6.824669544e-01 4.02 -6.596682200e-01 -6.596682200e-01 4.04 -6.374544814e-01 -6.374544814e-01 4.06 -6.158188131e-01 -6.158188131e-01 4.08 -5.947527380e-01 -5.947527380e-01 4.10 -5.742466000e-01 -5.742466000e-01 4.12 -5.542923243e-01 -5.542923243e-01 4.14 -5.348797440e-01 -5.348797440e-01 4.16 -5.159987842e-01 -5.159987842e-01 4.18 -4.976381579e-01 -4.976381579e-01 4.20 -4.797847260e-01 -4.797847260e-01 4.22 -4.624230143e-01 -4.624230143e-01 4.24 -4.455350256e-01 -4.455350256e-01 4.26 -4.291004226e-01 -4.291004226e-01 4.28 -4.130970882e-01 -4.130970882e-01 4.30 -3.975020103e-01 -3.975020103e-01 4.32 -3.822923929e-01 -3.822923929e-01 4.34 -3.674468721e-01 -3.674468721e-01 4.36 -3.529467021e-01 -3.529467021e-01 4.38 -3.387767833e-01 -3.387767833e-01 4.40 -3.249264151e-01 -3.249264151e-01 4.42 -3.113896803e-01 -3.113896803e-01 4.44 -2.981654010e-01 -2.981654010e-01 4.46 -2.852566541e-01 -2.852566541e-01 4.48 -2.726698874e-01 -2.726698874e-01 4.50 -2.604137372e-01 -2.604137372e-01 4.52 -2.484976962e-01 -2.484976962e-01 4.54 -2.369308103e-01 -2.369308103e-01 4.56 -2.257205811e-01 -2.257205811e-01 4.58 -2.148722144e-01 -2.148722144e-01 4.60 -2.043882996e-01 -2.043882996e-01 4.62 -1.942689231e-01 -1.942689231e-01 4.64 -1.845121541e-01 -1.845121541e-01 4.66 -1.751147797e-01 -1.751147797e-01 4.68 -1.660731382e-01 -1.660731382e-01 4.70 -1.573838980e-01 -1.573838980e-01 4.72 -1.490446486e-01 -1.490446486e-01 4.74 -1.410542156e-01 -1.410542156e-01 4.76 -1.334126600e-01 -1.334126600e-01 4.78 -1.261209739e-01 -1.261209739e-01 4.80 -1.191801350e-01 -1.191801350e-01 4.82 -1.125920740e-01 -1.125920740e-01 4.84 -1.063563168e-01 -1.063563168e-01 4.86 -1.004711378e-01 -1.004711378e-01 4.88 -9.493254340e-02 -9.493254340e-02 4.90 -8.973394554e-02 -8.973394554e-02 4.92 -8.486606307e-02 -8.486606307e-02 4.94 -8.031704183e-02 -8.031704183e-02 4.96 -7.607273019e-02 -7.607273019e-02 4.98 -7.211711990e-02 -7.211711990e-02 5.00 -6.843284549e-02 -6.843284549e-02 5.02 -6.500170067e-02 -6.500170067e-02 5.04 -6.180513160e-02 -6.180513160e-02 5.06 -5.882467596e-02 -5.882467596e-02 5.08 -5.604205891e-02 -5.604205891e-02 5.10 -5.343944902e-02 -5.343944902e-02 5.12 -5.100093493e-02 -5.100093493e-02 5.14 -4.871160159e-02 -4.871160159e-02 5.16 -4.655759113e-02 -4.655759113e-02 5.18 -4.452617415e-02 -4.452617415e-02 5.20 -4.260577234e-02 -4.260577234e-02 5.22 -4.078594713e-02 -4.078594713e-02 5.24 -3.905736584e-02 -3.905736584e-02 5.26 -3.741175436e-02 -3.741175436e-02 5.28 -3.584184262e-02 -3.584184262e-02 5.30 -3.434130683e-02 -3.434130683e-02 5.32 -3.290471021e-02 -3.290471021e-02 5.34 -3.152744271e-02 -3.152744271e-02 5.36 -3.020565811e-02 -3.020565811e-02 5.38 -2.893620772e-02 -2.893620772e-02 5.40 -2.771656730e-02 -2.771656730e-02 5.42 -2.654475648e-02 -2.654475648e-02 5.44 -2.541924997e-02 -2.541924997e-02 5.46 -2.433888148e-02 -2.433888148e-02 5.48 -2.330274295e-02 -2.330274295e-02 5.50 -2.231008308e-02 -2.231008308e-02 5.52 -2.136021071e-02 -2.136021071e-02 5.54 -2.045240829e-02 -2.045240829e-02 5.56 -1.958586095e-02 -1.958586095e-02 5.58 -1.875960454e-02 -1.875960454e-02 5.60 -1.797249470e-02 -1.797249470e-02 5.62 -1.722319650e-02 -1.722319650e-02 5.64 -1.651019235e-02 -1.651019235e-02 5.66 -1.583180453e-02 -1.583180453e-02 5.68 -1.518622759e-02 -1.518622759e-02 5.70 -1.457156629e-02 -1.457156629e-02 5.72 -1.398587455e-02 -1.398587455e-02 5.74 -1.342719220e-02 -1.342719220e-02 5.76 -1.289355473e-02 -1.289355473e-02 5.78 -1.238305735e-02 -1.238305735e-02 5.80 -1.189387736e-02 -1.189387736e-02 5.82 -1.142427254e-02 -1.142427254e-02 5.84 -1.097259100e-02 -1.097259100e-02 5.86 -1.053727665e-02 -1.053727665e-02 5.88 -1.011687161e-02 -1.011687161e-02 5.90 -9.710016291e-03 -9.710016291e-03 5.92 -9.315448276e-03 -9.315448276e-03 5.94 -8.932000813e-03 -8.932000813e-03 5.96 -8.558601516e-03 -8.558601516e-03 5.98 -8.194271881e-03 -8.194271881e-03 6.00 -7.838127968e-03 -7.838127968e-03