# 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 = MoPd2Ta # 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 3.751731787e+02 3.751731787e+02 1.30 3.484128737e+02 3.484128737e+02 1.32 3.235993250e+02 3.235993250e+02 1.34 3.005797087e+02 3.005797087e+02 1.36 2.792136920e+02 2.792136920e+02 1.38 2.593723157e+02 2.593723157e+02 1.40 2.409368940e+02 2.409368940e+02 1.42 2.237976765e+02 2.237976765e+02 1.44 2.078530551e+02 2.078530551e+02 1.46 1.930096407e+02 1.930096407e+02 1.48 1.791825340e+02 1.791825340e+02 1.50 1.662951374e+02 1.662951374e+02 1.52 1.542784296e+02 1.542784296e+02 1.54 1.430698711e+02 1.430698711e+02 1.56 1.326121274e+02 1.326121274e+02 1.58 1.228518946e+02 1.228518946e+02 1.60 1.137391399e+02 1.137391399e+02 1.62 1.052268747e+02 1.052268747e+02 1.64 9.727129253e+01 9.727129253e+01 1.66 8.983197223e+01 8.983197223e+01 1.68 8.287193594e+01 8.287193594e+01 1.70 7.635751032e+01 7.635751032e+01 1.72 7.025805409e+01 7.025805409e+01 1.74 6.454567521e+01 6.454567521e+01 1.76 5.919502916e+01 5.919502916e+01 1.78 5.418351049e+01 5.418351049e+01 1.80 4.949424319e+01 4.949424319e+01 1.82 4.510978599e+01 4.510978599e+01 1.84 4.101373662e+01 4.101373662e+01 1.86 3.720708888e+01 3.720708888e+01 1.88 3.368839499e+01 3.368839499e+01 1.90 3.043728066e+01 3.043728066e+01 1.92 2.743431662e+01 2.743431662e+01 1.94 2.466134828e+01 2.466134828e+01 1.96 2.210171906e+01 2.210171906e+01 1.98 1.974026749e+01 1.974026749e+01 2.00 1.756310855e+01 1.756310855e+01 2.02 1.555731176e+01 1.555731176e+01 2.04 1.371061034e+01 1.371061034e+01 2.06 1.201122813e+01 1.201122813e+01 2.08 1.044784180e+01 1.044784180e+01 2.10 9.009644789e+00 9.009644789e+00 2.12 7.686461104e+00 7.686461104e+00 2.14 6.468861196e+00 6.468861196e+00 2.16 5.348245490e+00 5.348245490e+00 2.18 4.316876405e+00 4.316876405e+00 2.20 3.367854536e+00 3.367854536e+00 2.22 2.495047197e+00 2.495047197e+00 2.24 1.692985070e+00 1.692985070e+00 2.26 9.567448869e-01 9.567448869e-01 2.28 2.818340108e-01 2.818340108e-01 2.30 -3.359109929e-01 -3.359109929e-01 2.32 -9.004038634e-01 -9.004038634e-01 2.34 -1.415362266e+00 -1.415362266e+00 2.36 -1.884335715e+00 -1.884335715e+00 2.38 -2.310712198e+00 -2.310712198e+00 2.40 -2.697711386e+00 -2.697711386e+00 2.42 -3.048373611e+00 -3.048373611e+00 2.44 -3.365551246e+00 -3.365551246e+00 2.46 -3.651792087e+00 -3.651792087e+00 2.48 -3.909619231e+00 -3.909619231e+00 2.50 -4.141471035e+00 -4.141471035e+00 2.52 -4.349536058e+00 -4.349536058e+00 2.54 -4.535746914e+00 -4.535746914e+00 2.56 -4.701779331e+00 -4.701779331e+00 2.58 -4.848984835e+00 -4.848984835e+00 2.60 -4.978415522e+00 -4.978415522e+00 2.62 -5.090948059e+00 -5.090948059e+00 2.64 -5.187371197e+00 -5.187371197e+00 2.66 -5.268426842e+00 -5.268426842e+00 2.68 -5.334825528e+00 -5.334825528e+00 2.70 -5.387257502e+00 -5.387257502e+00 2.72 -5.426398936e+00 -5.426398936e+00 2.74 -5.452907012e+00 -5.452907012e+00 2.76 -5.467310264e+00 -5.467310264e+00 2.78 -5.470060093e+00 -5.470060093e+00 2.80 -5.461637836e+00 -5.461637836e+00 2.82 -5.442556583e+00 -5.442556583e+00 2.84 -5.413363831e+00 -5.413363831e+00 2.86 -5.374646990e+00 -5.374646990e+00 2.88 -5.327039323e+00 -5.327039323e+00 2.90 -5.271649060e+00 -5.271649060e+00 2.92 -5.209406440e+00 -5.209406440e+00 2.94 -5.140785911e+00 -5.140785911e+00 2.96 -5.066332119e+00 -5.066332119e+00 2.98 -4.986631536e+00 -4.986631536e+00 3.00 -4.902281166e+00 -4.902281166e+00 3.02 -4.813858007e+00 -4.813858007e+00 3.04 -4.721892746e+00 -4.721892746e+00 3.06 -4.626854390e+00 -4.626854390e+00 3.08 -4.529190413e+00 -4.529190413e+00 3.10 -4.429300575e+00 -4.429300575e+00 3.12 -4.327494643e+00 -4.327494643e+00 3.14 -4.224005757e+00 -4.224005757e+00 3.16 -4.119008833e+00 -4.119008833e+00 3.18 -4.012641084e+00 -4.012641084e+00 3.20 -3.905022865e+00 -3.905022865e+00 3.22 -3.796277233e+00 -3.796277233e+00 3.24 -3.686546796e+00 -3.686546796e+00 3.26 -3.576006684e+00 -3.576006684e+00 3.28 -3.464872780e+00 -3.464872780e+00 3.30 -3.353404710e+00 -3.353404710e+00 3.32 -3.241903587e+00 -3.241903587e+00 3.34 -3.130704949e+00 -3.130704949e+00 3.36 -3.020167861e+00 -3.020167861e+00 3.38 -2.910661447e+00 -2.910661447e+00 3.40 -2.802550303e+00 -2.802550303e+00 3.42 -2.696180175e+00 -2.696180175e+00 3.44 -2.591865066e+00 -2.591865066e+00 3.46 -2.489876627e+00 -2.489876627e+00 3.48 -2.390436369e+00 -2.390436369e+00 3.50 -2.293710944e+00 -2.293710944e+00 3.52 -2.199810547e+00 -2.199810547e+00 3.54 -2.108790305e+00 -2.108790305e+00 3.56 -2.020654414e+00 -2.020654414e+00 3.58 -1.935362623e+00 -1.935362623e+00 3.60 -1.852838604e+00 -1.852838604e+00 3.62 -1.772979624e+00 -1.772979624e+00 3.64 -1.695666907e+00 -1.695666907e+00 3.66 -1.620776036e+00 -1.620776036e+00 3.68 -1.548186778e+00 -1.548186778e+00 3.70 -1.477791747e+00 -1.477791747e+00 3.72 -1.409503382e+00 -1.409503382e+00 3.74 -1.343258833e+00 -1.343258833e+00 3.76 -1.279022448e+00 -1.279022448e+00 3.78 -1.216785732e+00 -1.216785732e+00 3.80 -1.156564841e+00 -1.156564841e+00 3.82 -1.098395881e+00 -1.098395881e+00 3.84 -1.042328508e+00 -1.042328508e+00 3.86 -9.884185079e-01 -9.884185079e-01 3.88 -9.367201265e-01 -9.367201265e-01 3.90 -8.872789488e-01 -8.872789488e-01 3.92 -8.401260252e-01 -8.401260252e-01 3.94 -7.952737525e-01 -7.952737525e-01 3.96 -7.527137693e-01 -7.527137693e-01 3.98 -7.124168616e-01 -7.124168616e-01 4.00 -6.743346264e-01 -6.743346264e-01 4.02 -6.384024598e-01 -6.384024598e-01 4.04 -6.045433271e-01 -6.045433271e-01 4.06 -5.726717523e-01 -5.726717523e-01 4.08 -5.426975170e-01 -5.426975170e-01 4.10 -5.145286779e-01 -5.145286779e-01 4.12 -4.880736785e-01 -4.880736785e-01 4.14 -4.632424880e-01 -4.632424880e-01 4.16 -4.399468986e-01 -4.399468986e-01 4.18 -4.181001993e-01 -4.181001993e-01 4.20 -3.976165336e-01 -3.976165336e-01 4.22 -3.784102322e-01 -3.784102322e-01 4.24 -3.603953553e-01 -3.603953553e-01 4.26 -3.434855774e-01 -3.434855774e-01 4.28 -3.275944463e-01 -3.275944463e-01 4.30 -3.126359611e-01 -3.126359611e-01 4.32 -2.985253362e-01 -2.985253362e-01 4.34 -2.851798819e-01 -2.851798819e-01 4.36 -2.725198500e-01 -2.725198500e-01 4.38 -2.604691567e-01 -2.604691567e-01 4.40 -2.489559348e-01 -2.489559348e-01 4.42 -2.379129595e-01 -2.379129595e-01 4.44 -2.272777257e-01 -2.272777257e-01 4.46 -2.169931567e-01 -2.169931567e-01 4.48 -2.070075962e-01 -2.070075962e-01 4.50 -1.972747459e-01 -1.972747459e-01 4.52 -1.877539014e-01 -1.877539014e-01 4.54 -1.784102276e-01 -1.784102276e-01 4.56 -1.692150880e-01 -1.692150880e-01 4.58 -1.601464240e-01 -1.601464240e-01 4.60 -1.511891570e-01 -1.511891570e-01 4.62 -1.423355631e-01 -1.423355631e-01 4.64 -1.335855555e-01 -1.335855555e-01 4.66 -1.249467918e-01 -1.249467918e-01 4.68 -1.164345226e-01 -1.164345226e-01 4.70 -1.080711024e-01 -1.080711024e-01 4.72 -9.988511128e-02 -9.988511128e-02 4.74 -9.191006732e-02 -9.191006732e-02 4.76 -8.418276493e-02 -8.418276493e-02 4.78 -7.674132382e-02 -7.674132382e-02 4.80 -6.962308406e-02 -6.962308406e-02 4.82 -6.286251838e-02 -6.286251838e-02 4.84 -5.648933520e-02 -5.648933520e-02 4.86 -5.052694225e-02 -5.052694225e-02 4.88 -4.499138543e-02 -4.499138543e-02 4.90 -3.989082714e-02 -3.989082714e-02 4.92 -3.522556174e-02 -3.522556174e-02 4.94 -3.098850943e-02 -3.098850943e-02 4.96 -2.716608333e-02 -2.716608333e-02 4.98 -2.373931075e-02 -2.373931075e-02 5.00 -2.068508013e-02 -2.068508013e-02 5.02 -1.797739852e-02 -1.797739852e-02 5.04 -1.558825973e-02 -1.558825973e-02 5.06 -1.348919752e-02 -1.348919752e-02 5.08 -1.165241482e-02 -1.165241482e-02 5.10 -1.005082457e-02 -1.005082457e-02 5.12 -8.658617051e-03 -8.658617051e-03 5.14 -7.451645392e-03 -7.451645392e-03 5.16 -6.407655741e-03 -6.407655741e-03 5.18 -5.506393658e-03 -5.506393658e-03 5.20 -4.729616348e-03 -4.729616348e-03 5.22 -4.061036799e-03 -4.061036799e-03 5.24 -3.486221604e-03 -3.486221604e-03 5.26 -2.992459936e-03 -2.992459936e-03 5.28 -2.568617090e-03 -2.568617090e-03 5.30 -2.204982585e-03 -2.204982585e-03 5.32 -1.893119859e-03 -1.893119859e-03 5.34 -1.625722338e-03 -1.625722338e-03 5.36 -1.396478861e-03 -1.396478861e-03 5.38 -1.199950106e-03 -1.199950106e-03 5.40 -1.031456711e-03 -1.031456711e-03 5.42 -8.869791265e-04 -8.869791265e-04 5.44 -7.630687679e-04 -7.630687679e-04 5.46 -6.567697697e-04 -6.567697697e-04 5.48 -5.655504995e-04 -5.655504995e-04 5.50 -4.872439060e-04 -4.872439060e-04 5.52 -4.199957759e-04 -4.199957759e-04 5.54 -3.622200034e-04 -3.622200034e-04 5.56 -3.125600294e-04 -3.125600294e-04 5.58 -2.698556768e-04 -2.698556768e-04 5.60 -2.331146798e-04 -2.331146798e-04 5.62 -2.014882811e-04 -2.014882811e-04 5.64 -1.742503421e-04 -1.742503421e-04 5.66 -1.507794758e-04 -1.507794758e-04 5.68 -1.305437801e-04 -1.305437801e-04 5.70 -1.130877971e-04 -1.130877971e-04 5.72 -9.802138149e-05 -9.802138149e-05 5.74 -8.501019886e-05 -8.501019886e-05 5.76 -7.376761811e-05 -7.376761811e-05 5.78 -6.404779316e-05 -6.404779316e-05 5.80 -5.563975950e-05 -5.563975950e-05 5.82 -4.836239613e-05 -4.836239613e-05 5.84 -4.206012540e-05 -4.206012540e-05 5.86 -3.659924157e-05 -3.659924157e-05 5.88 -3.186477567e-05 -3.186477567e-05 5.90 -2.775781705e-05 -2.775781705e-05 5.92 -2.419322463e-05 -2.419322463e-05 5.94 -2.109767014e-05 -2.109767014e-05 5.96 -1.840796459e-05 -1.840796459e-05 5.98 -1.606962641e-05 -1.606962641e-05 6.00 -1.403565566e-05 -1.403565566e-05