# 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 = Fe2PbPt # 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 3.142230107e+02 3.142230107e+02 1.30 2.911132824e+02 2.911132824e+02 1.32 2.696809925e+02 2.696809925e+02 1.34 2.498081426e+02 2.498081426e+02 1.36 2.313850585e+02 2.313850585e+02 1.38 2.143039127e+02 2.143039127e+02 1.40 1.984574618e+02 1.984574618e+02 1.42 1.837422503e+02 1.837422503e+02 1.44 1.700625421e+02 1.700625421e+02 1.46 1.573329769e+02 1.573329769e+02 1.48 1.454794447e+02 1.454794447e+02 1.50 1.344377223e+02 1.344377223e+02 1.52 1.241502324e+02 1.241502324e+02 1.54 1.145627642e+02 1.145627642e+02 1.56 1.056226639e+02 1.056226639e+02 1.58 9.727875518e+01 9.727875518e+01 1.60 8.948213754e+01 8.948213754e+01 1.62 8.218728564e+01 8.218728564e+01 1.64 7.535327957e+01 7.535327957e+01 1.66 6.894515777e+01 6.894515777e+01 1.68 6.293490318e+01 6.293490318e+01 1.70 5.730570562e+01 5.730570562e+01 1.72 5.210942953e+01 5.210942953e+01 1.74 4.734626006e+01 4.734626006e+01 1.76 4.298842394e+01 4.298842394e+01 1.78 3.900597924e+01 3.900597924e+01 1.80 3.536742856e+01 3.536742856e+01 1.82 3.204138457e+01 3.204138457e+01 1.84 2.899825056e+01 2.899825056e+01 1.86 2.621126711e+01 2.621126711e+01 1.88 2.365678009e+01 2.365678009e+01 1.90 2.131391353e+01 2.131391353e+01 1.92 1.916397256e+01 1.916397256e+01 1.94 1.718993696e+01 1.718993696e+01 1.96 1.537618327e+01 1.537618327e+01 1.98 1.370843431e+01 1.370843431e+01 2.00 1.217378476e+01 1.217378476e+01 2.02 1.076069091e+01 1.076069091e+01 2.04 9.458895406e+00 9.458895406e+00 2.06 8.259313265e+00 8.259313265e+00 2.08 7.153902712e+00 7.153902712e+00 2.10 6.135519462e+00 6.135519462e+00 2.12 5.197769021e+00 5.197769021e+00 2.14 4.334859619e+00 4.334859619e+00 2.16 3.541483457e+00 3.541483457e+00 2.18 2.812734016e+00 2.812734016e+00 2.20 2.144053767e+00 2.144053767e+00 2.22 1.531205213e+00 1.531205213e+00 2.24 9.702520725e-01 9.702520725e-01 2.26 4.575450119e-01 4.575450119e-01 2.28 -1.029404736e-02 -1.029404736e-02 2.30 -4.363878754e-01 -4.363878754e-01 2.32 -8.236300195e-01 -8.236300195e-01 2.34 -1.174704282e+00 -1.174704282e+00 2.36 -1.492114315e+00 -1.492114315e+00 2.38 -1.778408054e+00 -1.778408054e+00 2.40 -2.037169889e+00 -2.037169889e+00 2.42 -2.270315361e+00 -2.270315361e+00 2.44 -2.479389837e+00 -2.479389837e+00 2.46 -2.665947426e+00 -2.665947426e+00 2.48 -2.831557912e+00 -2.831557912e+00 2.50 -2.977808495e+00 -2.977808495e+00 2.52 -3.106293955e+00 -3.106293955e+00 2.54 -3.218590480e+00 -3.218590480e+00 2.56 -3.316214018e+00 -3.316214018e+00 2.58 -3.400571728e+00 -3.400571728e+00 2.60 -3.472920096e+00 -3.472920096e+00 2.62 -3.534341268e+00 -3.534341268e+00 2.64 -3.585745327e+00 -3.585745327e+00 2.66 -3.627886029e+00 -3.627886029e+00 2.68 -3.661392679e+00 -3.661392679e+00 2.70 -3.686806310e+00 -3.686806310e+00 2.72 -3.704590016e+00 -3.704590016e+00 2.74 -3.715152195e+00 -3.715152195e+00 2.76 -3.718868054e+00 -3.718868054e+00 2.78 -3.716087902e+00 -3.716087902e+00 2.80 -3.707144436e+00 -3.707144436e+00 2.82 -3.692357696e+00 -3.692357696e+00 2.84 -3.672042901e+00 -3.672042901e+00 2.86 -3.646490061e+00 -3.646490061e+00 2.88 -3.615825642e+00 -3.615825642e+00 2.90 -3.580180562e+00 -3.580180562e+00 2.92 -3.539783196e+00 -3.539783196e+00 2.94 -3.494955589e+00 -3.494955589e+00 2.96 -3.446100928e+00 -3.446100928e+00 2.98 -3.393681369e+00 -3.393681369e+00 3.00 -3.338187552e+00 -3.338187552e+00 3.02 -3.280104160e+00 -3.280104160e+00 3.04 -3.219876852e+00 -3.219876852e+00 3.06 -3.157893065e+00 -3.157893065e+00 3.08 -3.094567254e+00 -3.094567254e+00 3.10 -3.030405634e+00 -3.030405634e+00 3.12 -2.965734044e+00 -2.965734044e+00 3.14 -2.900788807e+00 -2.900788807e+00 3.16 -2.835748975e+00 -2.835748975e+00 3.18 -2.770766742e+00 -2.770766742e+00 3.20 -2.705986233e+00 -2.705986233e+00 3.22 -2.641539594e+00 -2.641539594e+00 3.24 -2.577552220e+00 -2.577552220e+00 3.26 -2.514163770e+00 -2.514163770e+00 3.28 -2.451524469e+00 -2.451524469e+00 3.30 -2.389787950e+00 -2.389787950e+00 3.32 -2.329103229e+00 -2.329103229e+00 3.34 -2.269606964e+00 -2.269606964e+00 3.36 -2.211416859e+00 -2.211416859e+00 3.38 -2.154626807e+00 -2.154626807e+00 3.40 -2.099303868e+00 -2.099303868e+00 3.42 -2.045488378e+00 -2.045488378e+00 3.44 -1.993193751e+00 -1.993193751e+00 3.46 -1.942410046e+00 -1.942410046e+00 3.48 -1.893107365e+00 -1.893107365e+00 3.50 -1.845240024e+00 -1.845240024e+00 3.52 -1.798750829e+00 -1.798750829e+00 3.54 -1.753575135e+00 -1.753575135e+00 3.56 -1.709644463e+00 -1.709644463e+00 3.58 -1.666889578e+00 -1.666889578e+00 3.60 -1.625242990e+00 -1.625242990e+00 3.62 -1.584640883e+00 -1.584640883e+00 3.64 -1.545024493e+00 -1.545024493e+00 3.66 -1.506340984e+00 -1.506340984e+00 3.68 -1.468543805e+00 -1.468543805e+00 3.70 -1.431592571e+00 -1.431592571e+00 3.72 -1.395452478e+00 -1.395452478e+00 3.74 -1.360093324e+00 -1.360093324e+00 3.76 -1.325488230e+00 -1.325488230e+00 3.78 -1.291612225e+00 -1.291612225e+00 3.80 -1.258440855e+00 -1.258440855e+00 3.82 -1.225948991e+00 -1.225948991e+00 3.84 -1.194109967e+00 -1.194109967e+00 3.86 -1.162895101e+00 -1.162895101e+00 3.88 -1.132273613e+00 -1.132273613e+00 3.90 -1.102212896e+00 -1.102212896e+00 3.92 -1.072678915e+00 -1.072678915e+00 3.94 -1.043637564e+00 -1.043637564e+00 3.96 -1.015054649e+00 -1.015054649e+00 3.98 -9.868976283e-01 -9.868976283e-01 4.00 -9.591366318e-01 -9.591366318e-01 4.02 -9.317457999e-01 -9.317457999e-01 4.04 -9.047047240e-01 -9.047047240e-01 4.06 -8.779999439e-01 -8.779999439e-01 4.08 -8.516263980e-01 -8.516263980e-01 4.10 -8.255875116e-01 -8.255875116e-01 4.12 -7.999009077e-01 -7.999009077e-01 4.14 -7.745910096e-01 -7.745910096e-01 4.16 -7.496938248e-01 -7.496938248e-01 4.18 -7.252540071e-01 -7.252540071e-01 4.20 -7.013223807e-01 -7.013223807e-01 4.22 -6.779526457e-01 -6.779526457e-01 4.24 -6.551975608e-01 -6.551975608e-01 4.26 -6.331050117e-01 -6.331050117e-01 4.28 -6.117144202e-01 -6.117144202e-01 4.30 -5.910539010e-01 -5.910539010e-01 4.32 -5.711384499e-01 -5.711384499e-01 4.34 -5.519692762e-01 -5.519692762e-01 4.36 -5.335342168e-01 -5.335342168e-01 4.38 -5.158090311e-01 -5.158090311e-01 4.40 -4.987592997e-01 -4.987592997e-01 4.42 -4.823426211e-01 -4.823426211e-01 4.44 -4.665108785e-01 -4.665108785e-01 4.46 -4.512123556e-01 -4.512123556e-01 4.48 -4.363935781e-01 -4.363935781e-01 4.50 -4.220008608e-01 -4.220008608e-01 4.52 -4.079814138e-01 -4.079814138e-01 4.54 -3.942838604e-01 -3.942838604e-01 4.56 -3.808610712e-01 -3.808610712e-01 4.58 -3.676692757e-01 -3.676692757e-01 4.60 -3.546685724e-01 -3.546685724e-01 4.62 -3.418237110e-01 -3.418237110e-01 4.64 -3.291048371e-01 -3.291048371e-01 4.66 -3.164882347e-01 -3.164882347e-01 4.68 -3.039570675e-01 -3.039570675e-01 4.70 -2.915020873e-01 -2.915020873e-01 4.72 -2.791222463e-01 -2.791222463e-01 4.74 -2.668251304e-01 -2.668251304e-01 4.76 -2.546271139e-01 -2.546271139e-01 4.78 -2.425531387e-01 -2.425531387e-01 4.80 -2.306352427e-01 -2.306352427e-01 4.82 -2.189147010e-01 -2.189147010e-01 4.84 -2.074351830e-01 -2.074351830e-01 4.86 -1.962442912e-01 -1.962442912e-01 4.88 -1.853902544e-01 -1.853902544e-01 4.90 -1.749194690e-01 -1.749194690e-01 4.92 -1.648741470e-01 -1.648741470e-01 4.94 -1.552902717e-01 -1.552902717e-01 4.96 -1.461960260e-01 -1.461960260e-01 4.98 -1.376108019e-01 -1.376108019e-01 5.00 -1.295448264e-01 -1.295448264e-01 5.02 -1.219993699e-01 -1.219993699e-01 5.04 -1.149674492e-01 -1.149674492e-01 5.06 -1.084348962e-01 -1.084348962e-01 5.08 -1.023816578e-01 -1.023816578e-01 5.10 -9.678318576e-02 -9.678318576e-02 5.12 -9.161180606e-02 -9.161180606e-02 5.14 -8.683798183e-02 -8.683798183e-02 5.16 -8.243141231e-02 -8.243141231e-02 5.18 -7.836193925e-02 -7.836193925e-02 5.20 -7.460025372e-02 -7.460025372e-02 5.22 -7.111841330e-02 -7.111841330e-02 5.24 -6.789018971e-02 -6.789018971e-02 5.26 -6.489132014e-02 -6.489132014e-02 5.28 -6.209977444e-02 -6.209977444e-02 5.30 -5.949518261e-02 -5.949518261e-02 5.32 -5.705906404e-02 -5.705906404e-02 5.34 -5.477478939e-02 -5.477478939e-02 5.36 -5.262744450e-02 -5.262744450e-02 5.38 -5.060368016e-02 -5.060368016e-02 5.40 -4.869155772e-02 -4.869155772e-02 5.42 -4.688039819e-02 -4.688039819e-02 5.44 -4.516063964e-02 -4.516063964e-02 5.46 -4.352370593e-02 -4.352370593e-02 5.48 -4.196188837e-02 -4.196188837e-02 5.50 -4.046824048e-02 -4.046824048e-02 5.52 -3.903648555e-02 -3.903648555e-02 5.54 -3.766093609e-02 -3.766093609e-02 5.56 -3.633642413e-02 -3.633642413e-02 5.58 -3.505824116e-02 -3.505824116e-02 5.60 -3.382208686e-02 -3.382208686e-02 5.62 -3.262402566e-02 -3.262402566e-02 5.64 -3.146045007e-02 -3.146045007e-02 5.66 -3.032805051e-02 -3.032805051e-02 5.68 -2.922379168e-02 -2.922379168e-02 5.70 -2.814489440e-02 -2.814489440e-02 5.72 -2.708882298e-02 -2.708882298e-02 5.74 -2.605327781e-02 -2.605327781e-02 5.76 -2.503619297e-02 -2.503619297e-02 5.78 -2.403573845e-02 -2.403573845e-02 5.80 -2.305032657e-02 -2.305032657e-02 5.82 -2.207862194e-02 -2.207862194e-02 5.84 -2.111955418e-02 -2.111955418e-02 5.86 -2.017233226e-02 -2.017233226e-02 5.88 -1.923645930e-02 -1.923645930e-02 5.90 -1.831174606e-02 -1.831174606e-02 5.92 -1.739832156e-02 -1.739832156e-02 5.94 -1.649662048e-02 -1.649662048e-02 5.96 -1.560727500e-02 -1.560727500e-02 5.98 -1.473137703e-02 -1.473137703e-02 6.00 -1.387034821e-02 -1.387034821e-02