# 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 = Co2FeZr # 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 1.965699796e+02 1.965699796e+02 1.30 1.804338818e+02 1.804338818e+02 1.32 1.655871028e+02 1.655871028e+02 1.34 1.519183871e+02 1.519183871e+02 1.36 1.393277300e+02 1.393277300e+02 1.38 1.277262072e+02 1.277262072e+02 1.40 1.170347676e+02 1.170347676e+02 1.42 1.071821514e+02 1.071821514e+02 1.44 9.810281497e+01 9.810281497e+01 1.46 8.973588900e+01 8.973588900e+01 1.48 8.202524592e+01 8.202524592e+01 1.50 7.491960620e+01 7.491960620e+01 1.52 6.837197998e+01 6.837197998e+01 1.54 6.233879143e+01 6.233879143e+01 1.56 5.677948323e+01 5.677948323e+01 1.58 5.165662267e+01 5.165662267e+01 1.60 4.693595029e+01 4.693595029e+01 1.62 4.258604322e+01 4.258604322e+01 1.64 3.857779006e+01 3.857779006e+01 1.66 3.488399339e+01 3.488399339e+01 1.68 3.147928203e+01 3.147928203e+01 1.70 2.834029765e+01 2.834029765e+01 1.72 2.544577632e+01 2.544577632e+01 1.74 2.277669177e+01 2.277669177e+01 1.76 2.031600661e+01 2.031600661e+01 1.78 1.804768843e+01 1.804768843e+01 1.80 1.595747290e+01 1.595747290e+01 1.82 1.403322362e+01 1.403322362e+01 1.84 1.226261319e+01 1.226261319e+01 1.86 1.063417697e+01 1.063417697e+01 1.88 9.137332596e+00 9.137332596e+00 1.90 7.762343259e+00 7.762343259e+00 1.92 6.500228008e+00 6.500228008e+00 1.94 5.342624285e+00 5.342624285e+00 1.96 4.281647060e+00 4.281647060e+00 1.98 3.309833161e+00 3.309833161e+00 2.00 2.420157448e+00 2.420157448e+00 2.02 1.606076875e+00 1.606076875e+00 2.04 8.615641803e-01 8.615641803e-01 2.06 1.811028965e-01 1.811028965e-01 2.08 -4.403594648e-01 -4.403594648e-01 2.10 -1.007462719e+00 -1.007462719e+00 2.12 -1.524478430e+00 -1.524478430e+00 2.14 -1.995336750e+00 -1.995336750e+00 2.16 -2.423631225e+00 -2.423631225e+00 2.18 -2.812633028e+00 -2.812633028e+00 2.20 -3.165311396e+00 -3.165311396e+00 2.22 -3.484380412e+00 -3.484380412e+00 2.24 -3.772339181e+00 -3.772339181e+00 2.26 -4.031496314e+00 -4.031496314e+00 2.28 -4.263988433e+00 -4.263988433e+00 2.30 -4.471761100e+00 -4.471761100e+00 2.32 -4.656593946e+00 -4.656593946e+00 2.34 -4.820090151e+00 -4.820090151e+00 2.36 -4.963708694e+00 -4.963708694e+00 2.38 -5.088783701e+00 -5.088783701e+00 2.40 -5.196548660e+00 -5.196548660e+00 2.42 -5.288178278e+00 -5.288178278e+00 2.44 -5.364848895e+00 -5.364848895e+00 2.46 -5.427556218e+00 -5.427556218e+00 2.48 -5.477267568e+00 -5.477267568e+00 2.50 -5.514948205e+00 -5.514948205e+00 2.52 -5.541551929e+00 -5.541551929e+00 2.54 -5.558012931e+00 -5.558012931e+00 2.56 -5.565230320e+00 -5.565230320e+00 2.58 -5.563908823e+00 -5.563908823e+00 2.60 -5.554621318e+00 -5.554621318e+00 2.62 -5.537947124e+00 -5.537947124e+00 2.64 -5.514460705e+00 -5.514460705e+00 2.66 -5.484697608e+00 -5.484697608e+00 2.68 -5.449217458e+00 -5.449217458e+00 2.70 -5.408464342e+00 -5.408464342e+00 2.72 -5.362778827e+00 -5.362778827e+00 2.74 -5.312496947e+00 -5.312496947e+00 2.76 -5.257957322e+00 -5.257957322e+00 2.78 -5.199502744e+00 -5.199502744e+00 2.80 -5.137491600e+00 -5.137491600e+00 2.82 -5.072280124e+00 -5.072280124e+00 2.84 -5.004221497e+00 -5.004221497e+00 2.86 -4.933610526e+00 -4.933610526e+00 2.88 -4.860677679e+00 -4.860677679e+00 2.90 -4.785662688e+00 -4.785662688e+00 2.92 -4.708811279e+00 -4.708811279e+00 2.94 -4.630368345e+00 -4.630368345e+00 2.96 -4.550573225e+00 -4.550573225e+00 2.98 -4.469629359e+00 -4.469629359e+00 3.00 -4.387650305e+00 -4.387650305e+00 3.02 -4.304744332e+00 -4.304744332e+00 3.04 -4.221028134e+00 -4.221028134e+00 3.06 -4.136628882e+00 -4.136628882e+00 3.08 -4.051665753e+00 -4.051665753e+00 3.10 -3.966254321e+00 -3.966254321e+00 3.12 -3.880500037e+00 -3.880500037e+00 3.14 -3.794509641e+00 -3.794509641e+00 3.16 -3.708380572e+00 -3.708380572e+00 3.18 -3.622218490e+00 -3.622218490e+00 3.20 -3.536140919e+00 -3.536140919e+00 3.22 -3.450282720e+00 -3.450282720e+00 3.24 -3.364799580e+00 -3.364799580e+00 3.26 -3.279868897e+00 -3.279868897e+00 3.28 -3.195687493e+00 -3.195687493e+00 3.30 -3.112465686e+00 -3.112465686e+00 3.32 -3.030417787e+00 -3.030417787e+00 3.34 -2.949750005e+00 -2.949750005e+00 3.36 -2.870647720e+00 -2.870647720e+00 3.38 -2.793264513e+00 -2.793264513e+00 3.40 -2.717713781e+00 -2.717713781e+00 3.42 -2.644071308e+00 -2.644071308e+00 3.44 -2.572369246e+00 -2.572369246e+00 3.46 -2.502607024e+00 -2.502607024e+00 3.48 -2.434756654e+00 -2.434756654e+00 3.50 -2.368769828e+00 -2.368769828e+00 3.52 -2.304584293e+00 -2.304584293e+00 3.54 -2.242129042e+00 -2.242129042e+00 3.56 -2.181328233e+00 -2.181328233e+00 3.58 -2.122103979e+00 -2.122103979e+00 3.60 -2.064378269e+00 -2.064378269e+00 3.62 -2.008074324e+00 -2.008074324e+00 3.64 -1.953117633e+00 -1.953117633e+00 3.66 -1.899436911e+00 -1.899436911e+00 3.68 -1.846965116e+00 -1.846965116e+00 3.70 -1.795640633e+00 -1.795640633e+00 3.72 -1.745408636e+00 -1.745408636e+00 3.74 -1.696222571e+00 -1.696222571e+00 3.76 -1.648045659e+00 -1.648045659e+00 3.78 -1.600852189e+00 -1.600852189e+00 3.80 -1.554628377e+00 -1.554628377e+00 3.82 -1.509372484e+00 -1.509372484e+00 3.84 -1.465093952e+00 -1.465093952e+00 3.86 -1.421811385e+00 -1.421811385e+00 3.88 -1.379549434e+00 -1.379549434e+00 3.90 -1.338334843e+00 -1.338334843e+00 3.92 -1.298190572e+00 -1.298190572e+00 3.94 -1.259138654e+00 -1.259138654e+00 3.96 -1.221186455e+00 -1.221186455e+00 3.98 -1.184332568e+00 -1.184332568e+00 4.00 -1.148564556e+00 -1.148564556e+00 4.02 -1.113859969e+00 -1.113859969e+00 4.04 -1.080188249e+00 -1.080188249e+00 4.06 -1.047513094e+00 -1.047513094e+00 4.08 -1.015794884e+00 -1.015794884e+00 4.10 -9.849890680e-01 -9.849890680e-01 4.12 -9.550642848e-01 -9.550642848e-01 4.14 -9.259783115e-01 -9.259783115e-01 4.16 -8.976972702e-01 -8.976972702e-01 4.18 -8.701916686e-01 -8.701916686e-01 4.20 -8.434369237e-01 -8.434369237e-01 4.22 -8.174135637e-01 -8.174135637e-01 4.24 -7.921070845e-01 -7.921070845e-01 4.26 -7.675074383e-01 -7.675074383e-01 4.28 -7.436081526e-01 -7.436081526e-01 4.30 -7.204051275e-01 -7.204051275e-01 4.32 -6.978952189e-01 -6.978952189e-01 4.34 -6.760747658e-01 -6.760747658e-01 4.36 -6.549382457e-01 -6.549382457e-01 4.38 -6.344772258e-01 -6.344772258e-01 4.40 -6.146797222e-01 -6.146797222e-01 4.42 -5.955300053e-01 -5.955300053e-01 4.44 -5.770088072e-01 -5.770088072e-01 4.46 -5.590938342e-01 -5.590938342e-01 4.48 -5.417604570e-01 -5.417604570e-01 4.50 -5.249824575e-01 -5.249824575e-01 4.52 -5.087327356e-01 -5.087327356e-01 4.54 -4.929839144e-01 -4.929839144e-01 4.56 -4.777088151e-01 -4.777088151e-01 4.58 -4.628808044e-01 -4.628808044e-01 4.60 -4.484740315e-01 -4.484740315e-01 4.62 -4.344635843e-01 -4.344635843e-01 4.64 -4.208255968e-01 -4.208255968e-01 4.66 -4.075373399e-01 -4.075373399e-01 4.68 -3.945773223e-01 -3.945773223e-01 4.70 -3.819254248e-01 -3.819254248e-01 4.72 -3.695630834e-01 -3.695630834e-01 4.74 -3.574735315e-01 -3.574735315e-01 4.76 -3.456421003e-01 -3.456421003e-01 4.78 -3.340565680e-01 -3.340565680e-01 4.80 -3.227043864e-01 -3.227043864e-01 4.82 -3.115861801e-01 -3.115861801e-01 4.84 -3.006954616e-01 -3.006954616e-01 4.86 -2.900332315e-01 -2.900332315e-01 4.88 -2.796041973e-01 -2.796041973e-01 4.90 -2.694165577e-01 -2.694165577e-01 4.92 -2.594815136e-01 -2.594815136e-01 4.94 -2.498125000e-01 -2.498125000e-01 4.96 -2.404241716e-01 -2.404241716e-01 4.98 -2.313312146e-01 -2.313312146e-01 5.00 -2.225470979e-01 -2.225470979e-01 5.02 -2.140828917e-01 -2.140828917e-01 5.04 -2.059462802e-01 -2.059462802e-01 5.06 -1.981408684e-01 -1.981408684e-01 5.08 -1.906657126e-01 -1.906657126e-01 5.10 -1.835155086e-01 -1.835155086e-01 5.12 -1.766811285e-01 -1.766811285e-01 5.14 -1.701499027e-01 -1.701499027e-01 5.16 -1.639063785e-01 -1.639063785e-01 5.18 -1.579331519e-01 -1.579331519e-01 5.20 -1.522116927e-01 -1.522116927e-01 5.22 -1.467231086e-01 -1.467231086e-01 5.24 -1.414488114e-01 -1.414488114e-01 5.26 -1.363710750e-01 -1.363710750e-01 5.28 -1.314734795e-01 -1.314734795e-01 5.30 -1.267412517e-01 -1.267412517e-01 5.32 -1.221615098e-01 -1.221615098e-01 5.34 -1.177234222e-01 -1.177234222e-01 5.36 -1.134182863e-01 -1.134182863e-01 5.38 -1.092395300e-01 -1.092395300e-01 5.40 -1.051826360e-01 -1.051826360e-01 5.42 -1.012449877e-01 -1.012449877e-01 5.44 -9.742563788e-02 -9.742563788e-02 5.46 -9.372500677e-02 -9.372500677e-02 5.48 -9.014451980e-02 -9.014451980e-02 5.50 -8.668620491e-02 -8.668620491e-02 5.52 -8.335227774e-02 -8.335227774e-02 5.54 -8.014474123e-02 -8.014474123e-02 5.56 -7.706503019e-02 -7.706503019e-02 5.58 -7.411372608e-02 -7.411372608e-02 5.60 -7.129021950e-02 -7.129021950e-02 5.62 -6.859273090e-02 -6.859273090e-02 5.64 -6.601865258e-02 -6.601865258e-02 5.66 -6.356422475e-02 -6.356422475e-02 5.68 -6.122467021e-02 -6.122467021e-02 5.70 -5.899437936e-02 -5.899437936e-02 5.72 -5.686711325e-02 -5.686711325e-02 5.74 -5.483620591e-02 -5.483620591e-02 5.76 -5.289475177e-02 -5.289475177e-02 5.78 -5.103576895e-02 -5.103576895e-02 5.80 -4.925233376e-02 -4.925233376e-02 5.82 -4.753768533e-02 -4.753768533e-02 5.84 -4.588530252e-02 -4.588530252e-02 5.86 -4.428895653e-02 -4.428895653e-02 5.88 -4.274274397e-02 -4.274274397e-02 5.90 -4.124110519e-02 -4.124110519e-02 5.92 -3.977883275e-02 -3.977883275e-02 5.94 -3.835107433e-02 -3.835107433e-02 5.96 -3.695333383e-02 -3.695333383e-02 5.98 -3.558147393e-02 -3.558147393e-02 6.00 -3.423172233e-02 -3.423172233e-02