# 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 = Au2PbW # 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 4.729930372e+02 4.729930372e+02 1.30 4.402356652e+02 4.402356652e+02 1.32 4.097967033e+02 4.097967033e+02 1.34 3.815053737e+02 3.815053737e+02 1.36 3.552115292e+02 3.552115292e+02 1.38 3.307787180e+02 3.307787180e+02 1.40 3.080782476e+02 3.080782476e+02 1.42 2.869855530e+02 2.869855530e+02 1.44 2.673795582e+02 2.673795582e+02 1.46 2.491441169e+02 2.491441169e+02 1.48 2.321698863e+02 2.321698863e+02 1.50 2.163556731e+02 2.163556731e+02 1.52 2.016090948e+02 2.016090948e+02 1.54 1.878465296e+02 1.878465296e+02 1.56 1.749924773e+02 1.749924773e+02 1.58 1.629785655e+02 1.629785655e+02 1.60 1.517425651e+02 1.517425651e+02 1.62 1.412276041e+02 1.412276041e+02 1.64 1.313816123e+02 1.313816123e+02 1.66 1.221569433e+02 1.221569433e+02 1.68 1.135101321e+02 1.135101321e+02 1.70 1.054017609e+02 1.054017609e+02 1.72 9.779636825e+01 9.779636825e+01 1.74 9.066230740e+01 9.066230740e+01 1.76 8.397145743e+01 8.397145743e+01 1.78 7.769870735e+01 7.769870735e+01 1.80 7.182124933e+01 7.182124933e+01 1.82 6.631820444e+01 6.631820444e+01 1.84 6.117045728e+01 6.117045728e+01 1.86 5.637975041e+01 5.637975041e+01 1.88 5.193520742e+01 5.193520742e+01 1.90 4.781307144e+01 4.781307144e+01 1.92 4.399013941e+01 4.399013941e+01 1.94 4.044444742e+01 4.044444742e+01 1.96 3.715539931e+01 3.715539931e+01 1.98 3.410377654e+01 3.410377654e+01 2.00 3.127169647e+01 3.127169647e+01 2.02 2.864256093e+01 2.864256093e+01 2.04 2.620099676e+01 2.620099676e+01 2.06 2.393278115e+01 2.393278115e+01 2.08 2.182475419e+01 2.182475419e+01 2.10 1.986474642e+01 1.986474642e+01 2.12 1.804152547e+01 1.804152547e+01 2.14 1.634477550e+01 1.634477550e+01 2.16 1.476508391e+01 1.476508391e+01 2.18 1.329391938e+01 1.329391938e+01 2.20 1.192358354e+01 1.192358354e+01 2.22 1.064714143e+01 1.064714143e+01 2.24 9.458333577e+00 9.458333577e+00 2.26 8.351482807e+00 8.351482807e+00 2.28 7.321400125e+00 7.321400125e+00 2.30 6.363306233e+00 6.363306233e+00 2.32 5.472760764e+00 5.472760764e+00 2.34 4.645607350e+00 4.645607350e+00 2.36 3.877938032e+00 3.877938032e+00 2.38 3.166069168e+00 3.166069168e+00 2.40 2.506527724e+00 2.506527724e+00 2.42 1.896088361e+00 1.896088361e+00 2.44 1.331709165e+00 1.331709165e+00 2.46 8.104093847e-01 8.104093847e-01 2.48 3.293940105e-01 3.293940105e-01 2.50 -1.139599739e-01 -1.139599739e-01 2.52 -5.221197723e-01 -5.221197723e-01 2.54 -8.974110375e-01 -8.974110375e-01 2.56 -1.242029496e+00 -1.242029496e+00 2.58 -1.557994517e+00 -1.557994517e+00 2.60 -1.846988681e+00 -1.846988681e+00 2.62 -2.110580664e+00 -2.110580664e+00 2.64 -2.350292660e+00 -2.350292660e+00 2.66 -2.567587705e+00 -2.567587705e+00 2.68 -2.763859212e+00 -2.763859212e+00 2.70 -2.940423624e+00 -2.940423624e+00 2.72 -3.098517563e+00 -3.098517563e+00 2.74 -3.239298761e+00 -3.239298761e+00 2.76 -3.363849119e+00 -3.363849119e+00 2.78 -3.473178088e+00 -3.473178088e+00 2.80 -3.568225825e+00 -3.568225825e+00 2.82 -3.649864831e+00 -3.649864831e+00 2.84 -3.718902216e+00 -3.718902216e+00 2.86 -3.776082268e+00 -3.776082268e+00 2.88 -3.822104028e+00 -3.822104028e+00 2.90 -3.857740093e+00 -3.857740093e+00 2.92 -3.883492487e+00 -3.883492487e+00 2.94 -3.899786698e+00 -3.899786698e+00 2.96 -3.907056023e+00 -3.907056023e+00 2.98 -3.905749158e+00 -3.905749158e+00 3.00 -3.896336767e+00 -3.896336767e+00 3.02 -3.879315212e+00 -3.879315212e+00 3.04 -3.855205040e+00 -3.855205040e+00 3.06 -3.824541664e+00 -3.824541664e+00 3.08 -3.787854732e+00 -3.787854732e+00 3.10 -3.745672889e+00 -3.745672889e+00 3.12 -3.698509540e+00 -3.698509540e+00 3.14 -3.646851868e+00 -3.646851868e+00 3.16 -3.591179538e+00 -3.591179538e+00 3.18 -3.531911457e+00 -3.531911457e+00 3.20 -3.469332047e+00 -3.469332047e+00 3.22 -3.403716286e+00 -3.403716286e+00 3.24 -3.335327628e+00 -3.335327628e+00 3.26 -3.264416567e+00 -3.264416567e+00 3.28 -3.191222106e+00 -3.191222106e+00 3.30 -3.115966268e+00 -3.115966268e+00 3.32 -3.038866606e+00 -3.038866606e+00 3.34 -2.960155470e+00 -2.960155470e+00 3.36 -2.880085557e+00 -2.880085557e+00 3.38 -2.798934141e+00 -2.798934141e+00 3.40 -2.717005104e+00 -2.717005104e+00 3.42 -2.634628957e+00 -2.634628957e+00 3.44 -2.552157827e+00 -2.552157827e+00 3.46 -2.469959011e+00 -2.469959011e+00 3.48 -2.388404818e+00 -2.388404818e+00 3.50 -2.307860773e+00 -2.307860773e+00 3.52 -2.228673165e+00 -2.228673165e+00 3.54 -2.151157275e+00 -2.151157275e+00 3.56 -2.075587461e+00 -2.075587461e+00 3.58 -2.002190039e+00 -2.002190039e+00 3.60 -1.931139443e+00 -1.931139443e+00 3.62 -1.862557744e+00 -1.862557744e+00 3.64 -1.796517149e+00 -1.796517149e+00 3.66 -1.733044847e+00 -1.733044847e+00 3.68 -1.672129377e+00 -1.672129377e+00 3.70 -1.613727698e+00 -1.613727698e+00 3.72 -1.557772236e+00 -1.557772236e+00 3.74 -1.504177358e+00 -1.504177358e+00 3.76 -1.452844938e+00 -1.452844938e+00 3.78 -1.403668926e+00 -1.403668926e+00 3.80 -1.356538924e+00 -1.356538924e+00 3.82 -1.311342958e+00 -1.311342958e+00 3.84 -1.267969605e+00 -1.267969605e+00 3.86 -1.226309649e+00 -1.226309649e+00 3.88 -1.186257378e+00 -1.186257378e+00 3.90 -1.147711601e+00 -1.147711601e+00 3.92 -1.110575917e+00 -1.110575917e+00 3.94 -1.074761263e+00 -1.074761263e+00 3.96 -1.040182987e+00 -1.040182987e+00 3.98 -1.006763192e+00 -1.006763192e+00 4.00 -9.744300513e-01 -9.744300513e-01 4.02 -9.431176079e-01 -9.431176079e-01 4.04 -9.127655189e-01 -9.127655189e-01 4.06 -8.833187845e-01 -8.833187845e-01 4.08 -8.547275130e-01 -8.547275130e-01 4.10 -8.269456885e-01 -8.269456885e-01 4.12 -7.999355340e-01 -7.999355340e-01 4.14 -7.736605097e-01 -7.736605097e-01 4.16 -7.480902903e-01 -7.480902903e-01 4.18 -7.231995534e-01 -7.231995534e-01 4.20 -6.989680423e-01 -6.989680423e-01 4.22 -6.753805359e-01 -6.753805359e-01 4.24 -6.524266563e-01 -6.524266563e-01 4.26 -6.301004507e-01 -6.301004507e-01 4.28 -6.083997072e-01 -6.083997072e-01 4.30 -5.873249995e-01 -5.873249995e-01 4.32 -5.668784993e-01 -5.668784993e-01 4.34 -5.470626381e-01 -5.470626381e-01 4.36 -5.278787401e-01 -5.278787401e-01 4.38 -5.093257593e-01 -5.093257593e-01 4.40 -4.913992505e-01 -4.913992505e-01 4.42 -4.740906682e-01 -4.740906682e-01 4.44 -4.573870424e-01 -4.573870424e-01 4.46 -4.412710244e-01 -4.412710244e-01 4.48 -4.257212514e-01 -4.257212514e-01 4.50 -4.107129460e-01 -4.107129460e-01 4.52 -3.962186565e-01 -3.962186565e-01 4.54 -3.822090467e-01 -3.822090467e-01 4.56 -3.686536645e-01 -3.686536645e-01 4.58 -3.555216382e-01 -3.555216382e-01 4.60 -3.427822776e-01 -3.427822776e-01 4.62 -3.304055745e-01 -3.304055745e-01 4.64 -3.183626137e-01 -3.183626137e-01 4.66 -3.066259139e-01 -3.066259139e-01 4.68 -2.951697238e-01 -2.951697238e-01 4.70 -2.839702952e-01 -2.839702952e-01 4.72 -2.730061547e-01 -2.730061547e-01 4.74 -2.622583858e-01 -2.622583858e-01 4.76 -2.517109291e-01 -2.517109291e-01 4.78 -2.413508959e-01 -2.413508959e-01 4.80 -2.311681231e-01 -2.311681231e-01 4.82 -2.211586237e-01 -2.211586237e-01 4.84 -2.113198875e-01 -2.113198875e-01 4.86 -2.016544655e-01 -2.016544655e-01 4.88 -1.921690760e-01 -1.921690760e-01 4.90 -1.828744385e-01 -1.828744385e-01 4.92 -1.737849018e-01 -1.737849018e-01 4.94 -1.649178514e-01 -1.649178514e-01 4.96 -1.562929037e-01 -1.562929037e-01 4.98 -1.479309202e-01 -1.479309202e-01 5.00 -1.398529004e-01 -1.398529004e-01 5.02 -1.320788345e-01 -1.320788345e-01 5.04 -1.246266025e-01 -1.246266025e-01 5.06 -1.175110164e-01 -1.175110164e-01 5.08 -1.107430833e-01 -1.107430833e-01 5.10 -1.043295391e-01 -1.043295391e-01 5.12 -9.827267316e-02 -9.827267316e-02 5.14 -9.257043119e-02 -9.257043119e-02 5.16 -8.721676401e-02 -8.721676401e-02 5.18 -8.220215955e-02 -8.220215955e-02 5.20 -7.751424100e-02 -7.751424100e-02 5.22 -7.313796153e-02 -7.313796153e-02 5.24 -6.905765741e-02 -6.905765741e-02 5.26 -6.525691931e-02 -6.525691931e-02 5.28 -6.171882820e-02 -6.171882820e-02 5.30 -5.842642248e-02 -5.842642248e-02 5.32 -5.536303842e-02 -5.536303842e-02 5.34 -5.251253864e-02 -5.251253864e-02 5.36 -4.985938344e-02 -4.985938344e-02 5.38 -4.738872945e-02 -4.738872945e-02 5.40 -4.508668812e-02 -4.508668812e-02 5.42 -4.294008816e-02 -4.294008816e-02 5.44 -4.093645716e-02 -4.093645716e-02 5.46 -3.906400759e-02 -3.906400759e-02 5.48 -3.731162188e-02 -3.731162188e-02 5.50 -3.566883906e-02 -3.566883906e-02 5.52 -3.412584351e-02 -3.412584351e-02 5.54 -3.267345447e-02 -3.267345447e-02 5.56 -3.130311515e-02 -3.130311515e-02 5.58 -3.000687980e-02 -3.000687980e-02 5.60 -2.877739818e-02 -2.877739818e-02 5.62 -2.760789671e-02 -2.760789671e-02 5.64 -2.649215668e-02 -2.649215668e-02 5.66 -2.542449032e-02 -2.542449032e-02 5.68 -2.439971550e-02 -2.439971550e-02 5.70 -2.341313011e-02 -2.341313011e-02 5.72 -2.246048726e-02 -2.246048726e-02 5.74 -2.153797224e-02 -2.153797224e-02 5.76 -2.064218199e-02 -2.064218199e-02 5.78 -1.977010780e-02 -1.977010780e-02 5.80 -1.891912124e-02 -1.891912124e-02 5.82 -1.808696371e-02 -1.808696371e-02 5.84 -1.727173887e-02 -1.727173887e-02 5.86 -1.647190768e-02 -1.647190768e-02 5.88 -1.568628495e-02 -1.568628495e-02 5.90 -1.491403622e-02 -1.491403622e-02 5.92 -1.415467364e-02 -1.415467364e-02 5.94 -1.340803439e-02 -1.340803439e-02 5.96 -1.267421649e-02 -1.267421649e-02 5.98 -1.195371931e-02 -1.195371931e-02 6.00 -1.124734572e-02 -1.124734572e-02