# 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 = PbPdZr2 # 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 4.670331654e+02 4.670331654e+02 1.30 4.366104490e+02 4.366104490e+02 1.32 4.082960536e+02 4.082960536e+02 1.34 3.819241127e+02 3.819241127e+02 1.36 3.573427004e+02 3.573427004e+02 1.38 3.344139270e+02 3.344139270e+02 1.40 3.130131397e+02 3.130131397e+02 1.42 2.930279150e+02 2.930279150e+02 1.44 2.743568562e+02 2.743568562e+02 1.46 2.569073569e+02 2.569073569e+02 1.48 2.405930967e+02 2.405930967e+02 1.50 2.253330636e+02 2.253330636e+02 1.52 2.110521216e+02 2.110521216e+02 1.54 1.976813948e+02 1.976813948e+02 1.56 1.851578107e+02 1.851578107e+02 1.58 1.734228878e+02 1.734228878e+02 1.60 1.624218779e+02 1.624218779e+02 1.62 1.521035949e+02 1.521035949e+02 1.64 1.424208373e+02 1.424208373e+02 1.66 1.333306105e+02 1.333306105e+02 1.68 1.247939564e+02 1.247939564e+02 1.70 1.167753197e+02 1.167753197e+02 1.72 1.092416898e+02 1.092416898e+02 1.74 1.021618910e+02 1.021618910e+02 1.76 9.550631753e+01 9.550631753e+01 1.78 8.924705667e+01 8.924705667e+01 1.80 8.335817302e+01 8.335817302e+01 1.82 7.781582527e+01 7.781582527e+01 1.84 7.259833128e+01 7.259833128e+01 1.86 6.768602553e+01 6.768602553e+01 1.88 6.306086185e+01 6.306086185e+01 1.90 5.870587876e+01 5.870587876e+01 1.92 5.460503390e+01 5.460503390e+01 1.94 5.074350119e+01 5.074350119e+01 1.96 4.710637477e+01 4.710637477e+01 1.98 4.368079888e+01 4.368079888e+01 2.00 4.046698641e+01 4.046698641e+01 2.02 3.745515055e+01 3.745515055e+01 2.04 3.463247457e+01 3.463247457e+01 2.06 3.198711006e+01 3.198711006e+01 2.08 2.950809554e+01 2.950809554e+01 2.10 2.718531041e+01 2.718531041e+01 2.12 2.500935948e+01 2.500935948e+01 2.14 2.297146593e+01 2.297146593e+01 2.16 2.106334569e+01 2.106334569e+01 2.18 1.927711707e+01 1.927711707e+01 2.20 1.760528003e+01 1.760528003e+01 2.22 1.604071591e+01 1.604071591e+01 2.24 1.457671080e+01 1.457671080e+01 2.26 1.320698012e+01 1.320698012e+01 2.28 1.192567114e+01 1.192567114e+01 2.30 1.072737851e+01 1.072737851e+01 2.32 9.607116375e+00 9.607116375e+00 2.34 8.560252933e+00 8.560252933e+00 2.36 7.582465380e+00 7.582465380e+00 2.38 6.669675172e+00 6.669675172e+00 2.40 5.817998640e+00 5.817998640e+00 2.42 5.023706872e+00 5.023706872e+00 2.44 4.283216785e+00 4.283216785e+00 2.46 3.593089319e+00 3.593089319e+00 2.48 2.950051757e+00 2.950051757e+00 2.50 2.351025430e+00 2.351025430e+00 2.52 1.793147415e+00 1.793147415e+00 2.54 1.273777304e+00 1.273777304e+00 2.56 7.904885639e-01 7.904885639e-01 2.58 3.410502862e-01 3.410502862e-01 2.60 -7.659423005e-02 -7.659423005e-02 2.62 -4.643482824e-01 -4.643482824e-01 2.64 -8.239822785e-01 -8.239822785e-01 2.66 -1.157150814e+00 -1.157150814e+00 2.68 -1.465409562e+00 -1.465409562e+00 2.70 -1.750228493e+00 -1.750228493e+00 2.72 -2.013001427e+00 -2.013001427e+00 2.74 -2.255128417e+00 -2.255128417e+00 2.76 -2.477885062e+00 -2.477885062e+00 2.78 -2.682341800e+00 -2.682341800e+00 2.80 -2.869534168e+00 -2.869534168e+00 2.82 -3.040441611e+00 -3.040441611e+00 2.84 -3.195999497e+00 -3.195999497e+00 2.86 -3.337098253e+00 -3.337098253e+00 2.88 -3.464587868e+00 -3.464587868e+00 2.90 -3.579280222e+00 -3.579280222e+00 2.92 -3.681834687e+00 -3.681834687e+00 2.94 -3.772741186e+00 -3.772741186e+00 2.96 -3.852500352e+00 -3.852500352e+00 2.98 -3.921627452e+00 -3.921627452e+00 3.00 -3.980642322e+00 -3.980642322e+00 3.02 -4.030061461e+00 -4.030061461e+00 3.04 -4.070388665e+00 -4.070388665e+00 3.06 -4.102130463e+00 -4.102130463e+00 3.08 -4.125768038e+00 -4.125768038e+00 3.10 -4.141779346e+00 -4.141779346e+00 3.12 -4.150640322e+00 -4.150640322e+00 3.14 -4.153039337e+00 -4.153039337e+00 3.16 -4.149456934e+00 -4.149456934e+00 3.18 -4.140253856e+00 -4.140253856e+00 3.20 -4.125801766e+00 -4.125801766e+00 3.22 -4.106476629e+00 -4.106476629e+00 3.24 -4.082652992e+00 -4.082652992e+00 3.26 -4.054700108e+00 -4.054700108e+00 3.28 -4.022979899e+00 -4.022979899e+00 3.30 -3.987845697e+00 -3.987845697e+00 3.32 -3.949642389e+00 -3.949642389e+00 3.34 -3.908720868e+00 -3.908720868e+00 3.36 -3.865420937e+00 -3.865420937e+00 3.38 -3.820051387e+00 -3.820051387e+00 3.40 -3.772885053e+00 -3.772885053e+00 3.42 -3.724165200e+00 -3.724165200e+00 3.44 -3.674096451e+00 -3.674096451e+00 3.46 -3.622856702e+00 -3.622856702e+00 3.48 -3.570599904e+00 -3.570599904e+00 3.50 -3.517460839e+00 -3.517460839e+00 3.52 -3.463559108e+00 -3.463559108e+00 3.54 -3.409002071e+00 -3.409002071e+00 3.56 -3.353886810e+00 -3.353886810e+00 3.58 -3.298301310e+00 -3.298301310e+00 3.60 -3.242325168e+00 -3.242325168e+00 3.62 -3.186030095e+00 -3.186030095e+00 3.64 -3.129480459e+00 -3.129480459e+00 3.66 -3.072734040e+00 -3.072734040e+00 3.68 -3.015843146e+00 -3.015843146e+00 3.70 -2.958859754e+00 -2.958859754e+00 3.72 -2.901854811e+00 -2.901854811e+00 3.74 -2.844861471e+00 -2.844861471e+00 3.76 -2.787911165e+00 -2.787911165e+00 3.78 -2.731045473e+00 -2.731045473e+00 3.80 -2.674318132e+00 -2.674318132e+00 3.82 -2.617796258e+00 -2.617796258e+00 3.84 -2.561560217e+00 -2.561560217e+00 3.86 -2.505701752e+00 -2.505701752e+00 3.88 -2.450320228e+00 -2.450320228e+00 3.90 -2.395516982e+00 -2.395516982e+00 3.92 -2.341382027e+00 -2.341382027e+00 3.94 -2.288003908e+00 -2.288003908e+00 3.96 -2.235445199e+00 -2.235445199e+00 3.98 -2.183756377e+00 -2.183756377e+00 4.00 -2.132970608e+00 -2.132970608e+00 4.02 -2.083105082e+00 -2.083105082e+00 4.04 -2.034163828e+00 -2.034163828e+00 4.06 -1.986141266e+00 -1.986141266e+00 4.08 -1.939025793e+00 -1.939025793e+00 4.10 -1.892795334e+00 -1.892795334e+00 4.12 -1.847451214e+00 -1.847451214e+00 4.14 -1.802969885e+00 -1.802969885e+00 4.16 -1.759338439e+00 -1.759338439e+00 4.18 -1.716545322e+00 -1.716545322e+00 4.20 -1.674579864e+00 -1.674579864e+00 4.22 -1.633431624e+00 -1.633431624e+00 4.24 -1.593089723e+00 -1.593089723e+00 4.26 -1.553542309e+00 -1.553542309e+00 4.28 -1.514776229e+00 -1.514776229e+00 4.30 -1.476776929e+00 -1.476776929e+00 4.32 -1.439528553e+00 -1.439528553e+00 4.34 -1.403014191e+00 -1.403014191e+00 4.36 -1.367216209e+00 -1.367216209e+00 4.38 -1.332116614e+00 -1.332116614e+00 4.40 -1.297697401e+00 -1.297697401e+00 4.42 -1.263940858e+00 -1.263940858e+00 4.44 -1.230829825e+00 -1.230829825e+00 4.46 -1.198347897e+00 -1.198347897e+00 4.48 -1.166479588e+00 -1.166479588e+00 4.50 -1.135210486e+00 -1.135210486e+00 4.52 -1.104527391e+00 -1.104527391e+00 4.54 -1.074418482e+00 -1.074418482e+00 4.56 -1.044873496e+00 -1.044873496e+00 4.58 -1.015883943e+00 -1.015883943e+00 4.60 -9.874433310e-01 -9.874433310e-01 4.62 -9.595473991e-01 -9.595473991e-01 4.64 -9.321943146e-01 -9.321943146e-01 4.66 -9.053848080e-01 -9.053848080e-01 4.68 -8.791222005e-01 -8.791222005e-01 4.70 -8.534122851e-01 -8.534122851e-01 4.72 -8.282630316e-01 -8.282630316e-01 4.74 -8.036841011e-01 -8.036841011e-01 4.76 -7.796861803e-01 -7.796861803e-01 4.78 -7.562801668e-01 -7.562801668e-01 4.80 -7.334696019e-01 -7.334696019e-01 4.82 -7.112775284e-01 -7.112775284e-01 4.84 -6.897021166e-01 -6.897021166e-01 4.86 -6.687463845e-01 -6.687463845e-01 4.88 -6.484096925e-01 -6.484096925e-01 4.90 -6.286874885e-01 -6.286874885e-01 4.92 -6.095712988e-01 -6.095712988e-01 4.94 -5.910489394e-01 -5.910489394e-01 4.96 -5.731049091e-01 -5.731049091e-01 4.98 -5.557209060e-01 -5.557209060e-01 5.00 -5.388764157e-01 -5.388764157e-01 5.02 -5.225493159e-01 -5.225493159e-01 5.04 -5.067164599e-01 -5.067164599e-01 5.06 -4.913542075e-01 -4.913542075e-01 5.08 -4.764388886e-01 -4.764388886e-01 5.10 -4.619471932e-01 -4.619471932e-01 5.12 -4.478564901e-01 -4.478564901e-01 5.14 -4.341450821e-01 -4.341450821e-01 5.16 -4.207924091e-01 -4.207924091e-01 5.18 -4.077792108e-01 -4.077792108e-01 5.20 -3.950876623e-01 -3.950876623e-01 5.22 -3.827014920e-01 -3.827014920e-01 5.24 -3.706060914e-01 -3.706060914e-01 5.26 -3.587886235e-01 -3.587886235e-01 5.28 -3.472381311e-01 -3.472381311e-01 5.30 -3.359456449e-01 -3.359456449e-01 5.32 -3.249042834e-01 -3.249042834e-01 5.34 -3.141093331e-01 -3.141093331e-01 5.36 -3.035582919e-01 -3.035582919e-01 5.38 -2.932508529e-01 -2.932508529e-01 5.40 -2.831888065e-01 -2.831888065e-01 5.42 -2.733758401e-01 -2.733758401e-01 5.44 -2.638172206e-01 -2.638172206e-01 5.46 -2.545193587e-01 -2.545193587e-01 5.48 -2.454892671e-01 -2.454892671e-01 5.50 -2.367339432e-01 -2.367339432e-01 5.52 -2.282597200e-01 -2.282597200e-01 5.54 -2.200716373e-01 -2.200716373e-01 5.56 -2.121728898e-01 -2.121728898e-01 5.58 -2.045643984e-01 -2.045643984e-01 5.60 -1.972445386e-01 -1.972445386e-01 5.62 -1.902090410e-01 -1.902090410e-01 5.64 -1.834510577e-01 -1.834510577e-01 5.66 -1.769613734e-01 -1.769613734e-01 5.68 -1.707287273e-01 -1.707287273e-01 5.70 -1.647402046e-01 -1.647402046e-01 5.72 -1.589816602e-01 -1.589816602e-01 5.74 -1.534381400e-01 -1.534381400e-01 5.76 -1.480942720e-01 -1.480942720e-01 5.78 -1.429346128e-01 -1.429346128e-01 5.80 -1.379439382e-01 -1.379439382e-01 5.82 -1.331074773e-01 -1.331074773e-01 5.84 -1.284110921e-01 -1.284110921e-01 5.86 -1.238414101e-01 -1.238414101e-01 5.88 -1.193859177e-01 -1.193859177e-01 5.90 -1.150330223e-01 -1.150330223e-01 5.92 -1.107720921e-01 -1.107720921e-01 5.94 -1.065934799e-01 -1.065934799e-01 5.96 -1.024885364e-01 -1.024885364e-01 5.98 -9.844951939e-02 -9.844951939e-02 6.00 -9.446977496e-02 -9.446977496e-02