# 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 = Fe2PdZr # 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 2.822864763e+02 2.822864763e+02 1.30 2.600909322e+02 2.600909322e+02 1.32 2.396137733e+02 2.396137733e+02 1.34 2.207152747e+02 2.207152747e+02 1.36 2.032692528e+02 2.032692528e+02 1.38 1.871592467e+02 1.871592467e+02 1.40 1.722769817e+02 1.722769817e+02 1.42 1.585228115e+02 1.585228115e+02 1.44 1.458066182e+02 1.458066182e+02 1.46 1.340481838e+02 1.340481838e+02 1.48 1.231764375e+02 1.231764375e+02 1.50 1.131275183e+02 1.131275183e+02 1.52 1.038422834e+02 1.038422834e+02 1.54 9.526437211e+01 9.526437211e+01 1.56 8.733926189e+01 8.733926189e+01 1.58 8.001447231e+01 8.001447231e+01 1.60 7.324038306e+01 7.324038306e+01 1.62 6.697116761e+01 6.697116761e+01 1.64 6.116541924e+01 6.116541924e+01 1.66 5.578635208e+01 5.578635208e+01 1.68 5.080155236e+01 5.080155236e+01 1.70 4.618235943e+01 4.618235943e+01 1.72 4.190308940e+01 4.190308940e+01 1.74 3.794026099e+01 3.794026099e+01 1.76 3.427236745e+01 3.427236745e+01 1.78 3.087917946e+01 3.087917946e+01 1.80 2.774506716e+01 2.774506716e+01 1.82 2.486412367e+01 2.486412367e+01 1.84 2.221735535e+01 2.221735535e+01 1.86 1.978581677e+01 1.978581677e+01 1.88 1.755184278e+01 1.755184278e+01 1.90 1.549914644e+01 1.549914644e+01 1.92 1.361286159e+01 1.361286159e+01 1.94 1.187953332e+01 1.187953332e+01 1.96 1.028694293e+01 1.028694293e+01 1.98 8.823923151e+00 8.823923151e+00 2.00 7.480205063e+00 7.480205063e+00 2.02 6.246318225e+00 6.246318225e+00 2.04 5.113541463e+00 5.113541463e+00 2.06 4.073874016e+00 4.073874016e+00 2.08 3.120006447e+00 3.120006447e+00 2.10 2.245266050e+00 2.245266050e+00 2.12 1.443580051e+00 1.443580051e+00 2.14 7.094259346e-01 7.094259346e-01 2.16 3.779738620e-02 3.779738620e-02 2.18 -5.758479022e-01 -5.758479022e-01 2.20 -1.135648638e+00 -1.135648638e+00 2.22 -1.645419137e+00 -1.645419137e+00 2.24 -2.108708334e+00 -2.108708334e+00 2.26 -2.528832525e+00 -2.528832525e+00 2.28 -2.908885271e+00 -2.908885271e+00 2.30 -3.251731643e+00 -3.251731643e+00 2.32 -3.560028317e+00 -3.560028317e+00 2.34 -3.836219580e+00 -3.836219580e+00 2.36 -4.082581529e+00 -4.082581529e+00 2.38 -4.301248866e+00 -4.301248866e+00 2.40 -4.494243928e+00 -4.494243928e+00 2.42 -4.663505719e+00 -4.663505719e+00 2.44 -4.810944404e+00 -4.810944404e+00 2.46 -4.938412185e+00 -4.938412185e+00 2.48 -5.047583086e+00 -5.047583086e+00 2.50 -5.140090997e+00 -5.140090997e+00 2.52 -5.217501338e+00 -5.217501338e+00 2.54 -5.281272706e+00 -5.281272706e+00 2.56 -5.332724854e+00 -5.332724854e+00 2.58 -5.372996408e+00 -5.372996408e+00 2.60 -5.402902206e+00 -5.402902206e+00 2.62 -5.423093466e+00 -5.423093466e+00 2.64 -5.434172270e+00 -5.434172270e+00 2.66 -5.436690909e+00 -5.436690909e+00 2.68 -5.431172964e+00 -5.431172964e+00 2.70 -5.418117127e+00 -5.418117127e+00 2.72 -5.398000491e+00 -5.398000491e+00 2.74 -5.371280268e+00 -5.371280268e+00 2.76 -5.338664202e+00 -5.338664202e+00 2.78 -5.300636568e+00 -5.300636568e+00 2.80 -5.257410374e+00 -5.257410374e+00 2.82 -5.209204172e+00 -5.209204172e+00 2.84 -5.156251616e+00 -5.156251616e+00 2.86 -5.098804817e+00 -5.098804817e+00 2.88 -5.037117531e+00 -5.037117531e+00 2.90 -4.971460495e+00 -4.971460495e+00 2.92 -4.902155456e+00 -4.902155456e+00 2.94 -4.829568179e+00 -4.829568179e+00 2.96 -4.754058649e+00 -4.754058649e+00 2.98 -4.675971098e+00 -4.675971098e+00 3.00 -4.595626884e+00 -4.595626884e+00 3.02 -4.513295347e+00 -4.513295347e+00 3.04 -4.429070900e+00 -4.429070900e+00 3.06 -4.343015802e+00 -4.343015802e+00 3.08 -4.255208186e+00 -4.255208186e+00 3.10 -4.165752953e+00 -4.165752953e+00 3.12 -4.074777428e+00 -4.074777428e+00 3.14 -3.982442273e+00 -3.982442273e+00 3.16 -3.888932217e+00 -3.888932217e+00 3.18 -3.794468167e+00 -3.794468167e+00 3.20 -3.699306519e+00 -3.699306519e+00 3.22 -3.603739287e+00 -3.603739287e+00 3.24 -3.508092235e+00 -3.508092235e+00 3.26 -3.412720519e+00 -3.412720519e+00 3.28 -3.318001120e+00 -3.318001120e+00 3.30 -3.224321459e+00 -3.224321459e+00 3.32 -3.132064247e+00 -3.132064247e+00 3.34 -3.041589721e+00 -3.041589721e+00 3.36 -2.953217590e+00 -2.953217590e+00 3.38 -2.867211540e+00 -2.867211540e+00 3.40 -2.783767573e+00 -2.783767573e+00 3.42 -2.703015335e+00 -2.703015335e+00 3.44 -2.625012057e+00 -2.625012057e+00 3.46 -2.549755942e+00 -2.549755942e+00 3.48 -2.477195064e+00 -2.477195064e+00 3.50 -2.407239098e+00 -2.407239098e+00 3.52 -2.339770726e+00 -2.339770726e+00 3.54 -2.274655768e+00 -2.274655768e+00 3.56 -2.211751532e+00 -2.211751532e+00 3.58 -2.150913281e+00 -2.150913281e+00 3.60 -2.091998973e+00 -2.091998973e+00 3.62 -2.034872530e+00 -2.034872530e+00 3.64 -1.979405972e+00 -1.979405972e+00 3.66 -1.925480731e+00 -1.925480731e+00 3.68 -1.872988460e+00 -1.872988460e+00 3.70 -1.821831563e+00 -1.821831563e+00 3.72 -1.771923653e+00 -1.771923653e+00 3.74 -1.723190030e+00 -1.723190030e+00 3.76 -1.675568206e+00 -1.675568206e+00 3.78 -1.629008390e+00 -1.629008390e+00 3.80 -1.583473753e+00 -1.583473753e+00 3.82 -1.538940218e+00 -1.538940218e+00 3.84 -1.495395514e+00 -1.495395514e+00 3.86 -1.452837299e+00 -1.452837299e+00 3.88 -1.411270360e+00 -1.411270360e+00 3.90 -1.370703119e+00 -1.370703119e+00 3.92 -1.331142503e+00 -1.331142503e+00 3.94 -1.292596586e+00 -1.292596586e+00 3.96 -1.255062817e+00 -1.255062817e+00 3.98 -1.218533648e+00 -1.218533648e+00 4.00 -1.182995110e+00 -1.182995110e+00 4.02 -1.148428264e+00 -1.148428264e+00 4.04 -1.114811317e+00 -1.114811317e+00 4.06 -1.082121845e+00 -1.082121845e+00 4.08 -1.050338690e+00 -1.050338690e+00 4.10 -1.019438609e+00 -1.019438609e+00 4.12 -9.894159231e-01 -9.894159231e-01 4.14 -9.602519273e-01 -9.602519273e-01 4.16 -9.319352964e-01 -9.319352964e-01 4.18 -9.044551610e-01 -9.044551610e-01 4.20 -8.777997602e-01 -8.777997602e-01 4.22 -8.519552458e-01 -8.519552458e-01 4.24 -8.269048151e-01 -8.269048151e-01 4.26 -8.026282591e-01 -8.026282591e-01 4.28 -7.791019307e-01 -7.791019307e-01 4.30 -7.562990729e-01 -7.562990729e-01 4.32 -7.341903993e-01 -7.341903993e-01 4.34 -7.127445800e-01 -7.127445800e-01 4.36 -6.919294749e-01 -6.919294749e-01 4.38 -6.717128122e-01 -6.717128122e-01 4.40 -6.520624644e-01 -6.520624644e-01 4.42 -6.329470146e-01 -6.329470146e-01 4.44 -6.143361928e-01 -6.143361928e-01 4.46 -5.962012079e-01 -5.962012079e-01 4.48 -5.785150029e-01 -5.785150029e-01 4.50 -5.612524662e-01 -5.612524662e-01 4.52 -5.443906242e-01 -5.443906242e-01 4.54 -5.279088346e-01 -5.279088346e-01 4.56 -5.117889924e-01 -5.117889924e-01 4.58 -4.960157494e-01 -4.960157494e-01 4.60 -4.805767384e-01 -4.805767384e-01 4.62 -4.654627823e-01 -4.654627823e-01 4.64 -4.506680607e-01 -4.506680607e-01 4.66 -4.361901971e-01 -4.361901971e-01 4.68 -4.220302302e-01 -4.220302302e-01 4.70 -4.081924320e-01 -4.081924320e-01 4.72 -3.946839488e-01 -3.946839488e-01 4.74 -3.815142530e-01 -3.815142530e-01 4.76 -3.686944210e-01 -3.686944210e-01 4.78 -3.562362714e-01 -3.562362714e-01 4.80 -3.441482469e-01 -3.441482469e-01 4.82 -3.324477183e-01 -3.324477183e-01 4.84 -3.211393361e-01 -3.211393361e-01 4.86 -3.102288517e-01 -3.102288517e-01 4.88 -2.997187753e-01 -2.997187753e-01 4.90 -2.896081082e-01 -2.896081082e-01 4.92 -2.798923142e-01 -2.798923142e-01 4.94 -2.705635098e-01 -2.705635098e-01 4.96 -2.616108282e-01 -2.616108282e-01 4.98 -2.530209023e-01 -2.530209023e-01 5.00 -2.447784119e-01 -2.447784119e-01 5.02 -2.368666430e-01 -2.368666430e-01 5.04 -2.292680198e-01 -2.292680198e-01 5.06 -2.219645794e-01 -2.219645794e-01 5.08 -2.149383755e-01 -2.149383755e-01 5.10 -2.081718033e-01 -2.081718033e-01 5.12 -2.016478506e-01 -2.016478506e-01 5.14 -1.953502814e-01 -1.953502814e-01 5.16 -1.892637650e-01 -1.892637650e-01 5.18 -1.833739617e-01 -1.833739617e-01 5.20 -1.776675793e-01 -1.776675793e-01 5.22 -1.721324098e-01 -1.721324098e-01 5.24 -1.667573561e-01 -1.667573561e-01 5.26 -1.615324543e-01 -1.615324543e-01 5.28 -1.564488971e-01 -1.564488971e-01 5.30 -1.514990561e-01 -1.514990561e-01 5.32 -1.466765038e-01 -1.466765038e-01 5.34 -1.419760275e-01 -1.419760275e-01 5.36 -1.373936286e-01 -1.373936286e-01 5.38 -1.329264977e-01 -1.329264977e-01 5.40 -1.285729581e-01 -1.285729581e-01 5.42 -1.243323675e-01 -1.243323675e-01 5.44 -1.202049730e-01 -1.202049730e-01 5.46 -1.161917201e-01 -1.161917201e-01 5.48 -1.122940235e-01 -1.122940235e-01 5.50 -1.085135064e-01 -1.085135064e-01 5.52 -1.048517281e-01 -1.048517281e-01 5.54 -1.013099221e-01 -1.013099221e-01 5.56 -9.788876474e-02 -9.788876474e-02 5.58 -9.458819152e-02 -9.458819152e-02 5.60 -9.140722119e-02 -9.140722119e-02 5.62 -8.834397668e-02 -8.834397668e-02 5.64 -8.539574228e-02 -8.539574228e-02 5.66 -8.255893032e-02 -8.255893032e-02 5.68 -7.982918713e-02 -7.982918713e-02 5.70 -7.720152645e-02 -7.720152645e-02 5.72 -7.467047491e-02 -7.467047491e-02 5.74 -7.223021684e-02 -7.223021684e-02 5.76 -6.987472849e-02 -6.987472849e-02 5.78 -6.759789526e-02 -6.759789526e-02 5.80 -6.539360898e-02 -6.539360898e-02 5.82 -6.325584442e-02 -6.325584442e-02 5.84 -6.117871693e-02 -6.117871693e-02 5.86 -5.915652367e-02 -5.915652367e-02 5.88 -5.718377237e-02 -5.718377237e-02 5.90 -5.525520116e-02 -5.525520116e-02 5.92 -5.336579343e-02 -5.336579343e-02 5.94 -5.151079117e-02 -5.151079117e-02 5.96 -4.968570999e-02 -4.968570999e-02 5.98 -4.788635831e-02 -4.788635831e-02 6.00 -4.610886296e-02 -4.610886296e-02