# 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 = Co2PbZr # 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 2.871298707e+02 2.871298707e+02 1.30 2.668428384e+02 2.668428384e+02 1.32 2.480312919e+02 2.480312919e+02 1.34 2.305771436e+02 2.305771436e+02 1.36 2.143733169e+02 2.143733169e+02 1.38 1.993219778e+02 1.993219778e+02 1.40 1.853334729e+02 1.853334729e+02 1.42 1.723259466e+02 1.723259466e+02 1.44 1.602247284e+02 1.602247284e+02 1.46 1.489616732e+02 1.489616732e+02 1.48 1.384746750e+02 1.384746750e+02 1.50 1.287070473e+02 1.287070473e+02 1.52 1.196066522e+02 1.196066522e+02 1.54 1.111252103e+02 1.111252103e+02 1.56 1.032178485e+02 1.032178485e+02 1.58 9.584300096e+01 9.584300096e+01 1.60 8.896241456e+01 8.896241456e+01 1.62 8.254113960e+01 8.254113960e+01 1.64 7.654735053e+01 7.654735053e+01 1.66 7.095201194e+01 7.095201194e+01 1.68 6.572837888e+01 6.572837888e+01 1.70 6.085142629e+01 6.085142629e+01 1.72 5.629743967e+01 5.629743967e+01 1.74 5.204386491e+01 5.204386491e+01 1.76 4.806938755e+01 4.806938755e+01 1.78 4.435453954e+01 4.435453954e+01 1.80 4.088138989e+01 4.088138989e+01 1.82 3.763441066e+01 3.763441066e+01 1.84 3.460505723e+01 3.460505723e+01 1.86 3.178030756e+01 3.178030756e+01 1.88 2.914670468e+01 2.914670468e+01 1.90 2.669169034e+01 2.669169034e+01 1.92 2.440352556e+01 2.440352556e+01 1.94 2.227129247e+01 2.227129247e+01 1.96 2.028482717e+01 2.028482717e+01 1.98 1.843465426e+01 1.843465426e+01 2.00 1.671190324e+01 1.671190324e+01 2.02 1.510822601e+01 1.510822601e+01 2.04 1.361574442e+01 1.361574442e+01 2.06 1.222703017e+01 1.222703017e+01 2.08 1.093510808e+01 1.093510808e+01 2.10 9.733442933e+00 9.733442933e+00 2.12 8.615949164e+00 8.615949164e+00 2.14 7.576978456e+00 7.576978456e+00 2.16 6.611316002e+00 6.611316002e+00 2.18 5.714157158e+00 5.714157158e+00 2.20 4.881071001e+00 4.881071001e+00 2.22 4.107941813e+00 4.107941813e+00 2.24 3.390919215e+00 3.390919215e+00 2.26 2.726384521e+00 2.726384521e+00 2.28 2.110940982e+00 2.110940982e+00 2.30 1.541406537e+00 1.541406537e+00 2.32 1.014798432e+00 1.014798432e+00 2.34 5.283407771e-01 5.283407771e-01 2.36 7.943164757e-02 7.943164757e-02 2.38 -3.343675674e-01 -3.343675674e-01 2.40 -7.153436102e-01 -7.153436102e-01 2.42 -1.065644810e+00 -1.065644810e+00 2.44 -1.387289285e+00 -1.387289285e+00 2.46 -1.682182946e+00 -1.682182946e+00 2.48 -1.952133085e+00 -1.952133085e+00 2.50 -2.198872922e+00 -2.198872922e+00 2.52 -2.424091409e+00 -2.424091409e+00 2.54 -2.629254343e+00 -2.629254343e+00 2.56 -2.815725730e+00 -2.815725730e+00 2.58 -2.984781678e+00 -2.984781678e+00 2.60 -3.137609289e+00 -3.137609289e+00 2.62 -3.275308239e+00 -3.275308239e+00 2.64 -3.398906399e+00 -3.398906399e+00 2.66 -3.509299847e+00 -3.509299847e+00 2.68 -3.607184320e+00 -3.607184320e+00 2.70 -3.693216430e+00 -3.693216430e+00 2.72 -3.768048255e+00 -3.768048255e+00 2.74 -3.832325079e+00 -3.832325079e+00 2.76 -3.886726947e+00 -3.886726947e+00 2.78 -3.931893406e+00 -3.931893406e+00 2.80 -3.968364730e+00 -3.968364730e+00 2.82 -3.996662137e+00 -3.996662137e+00 2.84 -4.017292082e+00 -4.017292082e+00 2.86 -4.030740645e+00 -4.030740645e+00 2.88 -4.037472951e+00 -4.037472951e+00 2.90 -4.037934560e+00 -4.037934560e+00 2.92 -4.032554156e+00 -4.032554156e+00 2.94 -4.021741055e+00 -4.021741055e+00 2.96 -4.005831461e+00 -4.005831461e+00 2.98 -3.985126612e+00 -3.985126612e+00 3.00 -3.959941153e+00 -3.959941153e+00 3.02 -3.930601466e+00 -3.930601466e+00 3.04 -3.897439453e+00 -3.897439453e+00 3.06 -3.860792883e+00 -3.860792883e+00 3.08 -3.820986133e+00 -3.820986133e+00 3.10 -3.778330809e+00 -3.778330809e+00 3.12 -3.733116049e+00 -3.733116049e+00 3.14 -3.685617437e+00 -3.685617437e+00 3.16 -3.636081601e+00 -3.636081601e+00 3.18 -3.584741849e+00 -3.584741849e+00 3.20 -3.531819240e+00 -3.531819240e+00 3.22 -3.477526673e+00 -3.477526673e+00 3.24 -3.422072179e+00 -3.422072179e+00 3.26 -3.365661118e+00 -3.365661118e+00 3.28 -3.308496948e+00 -3.308496948e+00 3.30 -3.250780133e+00 -3.250780133e+00 3.32 -3.192727610e+00 -3.192727610e+00 3.34 -3.134528583e+00 -3.134528583e+00 3.36 -3.076317451e+00 -3.076317451e+00 3.38 -3.018214511e+00 -3.018214511e+00 3.40 -2.960320529e+00 -2.960320529e+00 3.42 -2.902720091e+00 -2.902720091e+00 3.44 -2.845474682e+00 -2.845474682e+00 3.46 -2.788630946e+00 -2.788630946e+00 3.48 -2.732222250e+00 -2.732222250e+00 3.50 -2.676266901e+00 -2.676266901e+00 3.52 -2.620770766e+00 -2.620770766e+00 3.54 -2.565736076e+00 -2.565736076e+00 3.56 -2.511162494e+00 -2.511162494e+00 3.58 -2.457047485e+00 -2.457047485e+00 3.60 -2.403386586e+00 -2.403386586e+00 3.62 -2.350173786e+00 -2.350173786e+00 3.64 -2.297402181e+00 -2.297402181e+00 3.66 -2.245064986e+00 -2.245064986e+00 3.68 -2.193156896e+00 -2.193156896e+00 3.70 -2.141675715e+00 -2.141675715e+00 3.72 -2.090624135e+00 -2.090624135e+00 3.74 -2.040011484e+00 -2.040011484e+00 3.76 -1.989855251e+00 -1.989855251e+00 3.78 -1.940182220e+00 -1.940182220e+00 3.80 -1.891028981e+00 -1.891028981e+00 3.82 -1.842441667e+00 -1.842441667e+00 3.84 -1.794474736e+00 -1.794474736e+00 3.86 -1.747188737e+00 -1.747188737e+00 3.88 -1.700647119e+00 -1.700647119e+00 3.90 -1.654912374e+00 -1.654912374e+00 3.92 -1.610040152e+00 -1.610040152e+00 3.94 -1.566083138e+00 -1.566083138e+00 3.96 -1.523076316e+00 -1.523076316e+00 3.98 -1.481043886e+00 -1.481043886e+00 4.00 -1.439996919e+00 -1.439996919e+00 4.02 -1.399934464e+00 -1.399934464e+00 4.04 -1.360845512e+00 -1.360845512e+00 4.06 -1.322711409e+00 -1.322711409e+00 4.08 -1.285508363e+00 -1.285508363e+00 4.10 -1.249205204e+00 -1.249205204e+00 4.12 -1.213784514e+00 -1.213784514e+00 4.14 -1.179214139e+00 -1.179214139e+00 4.16 -1.145469700e+00 -1.145469700e+00 4.18 -1.112529932e+00 -1.112529932e+00 4.20 -1.080377332e+00 -1.080377332e+00 4.22 -1.048998494e+00 -1.048998494e+00 4.24 -1.018384101e+00 -1.018384101e+00 4.26 -9.885285393e-01 -9.885285393e-01 4.28 -9.594291513e-01 -9.594291513e-01 4.30 -9.310851556e-01 -9.310851556e-01 4.32 -9.034963473e-01 -9.034963473e-01 4.34 -8.766617253e-01 -8.766617253e-01 4.36 -8.505782287e-01 -8.505782287e-01 4.38 -8.252397427e-01 -8.252397427e-01 4.40 -8.006364894e-01 -8.006364894e-01 4.42 -7.767548396e-01 -7.767548396e-01 4.44 -7.535775108e-01 -7.535775108e-01 4.46 -7.310840558e-01 -7.310840558e-01 4.48 -7.092515252e-01 -7.092515252e-01 4.50 -6.880551851e-01 -6.880551851e-01 4.52 -6.674691973e-01 -6.674691973e-01 4.54 -6.474672043e-01 -6.474672043e-01 4.56 -6.280227898e-01 -6.280227898e-01 4.58 -6.091098181e-01 -6.091098181e-01 4.60 -5.907026676e-01 -5.907026676e-01 4.62 -5.727763896e-01 -5.727763896e-01 4.64 -5.553068213e-01 -5.553068213e-01 4.66 -5.382706851e-01 -5.382706851e-01 4.68 -5.216457004e-01 -5.216457004e-01 4.70 -5.054107304e-01 -5.054107304e-01 4.72 -4.895459803e-01 -4.895459803e-01 4.74 -4.740332541e-01 -4.740332541e-01 4.76 -4.588562737e-01 -4.588562737e-01 4.78 -4.440010473e-01 -4.440010473e-01 4.80 -4.294524216e-01 -4.294524216e-01 4.82 -4.152104985e-01 -4.152104985e-01 4.84 -4.012658597e-01 -4.012658597e-01 4.86 -3.876173413e-01 -3.876173413e-01 4.88 -3.742674620e-01 -3.742674620e-01 4.90 -3.612222387e-01 -3.612222387e-01 4.92 -3.484907325e-01 -3.484907325e-01 4.94 -3.360843114e-01 -3.360843114e-01 4.96 -3.240156656e-01 -3.240156656e-01 4.98 -3.122976458e-01 -3.122976458e-01 5.00 -3.009420374e-01 -3.009420374e-01 5.02 -2.899583996e-01 -2.899583996e-01 5.04 -2.793530971e-01 -2.793530971e-01 5.06 -2.691286268e-01 -2.691286268e-01 5.08 -2.592832977e-01 -2.592832977e-01 5.10 -2.498112707e-01 -2.498112707e-01 5.12 -2.407029177e-01 -2.407029177e-01 5.14 -2.319454272e-01 -2.319454272e-01 5.16 -2.235235610e-01 -2.235235610e-01 5.18 -2.154204727e-01 -2.154204727e-01 5.20 -2.076185060e-01 -2.076185060e-01 5.22 -2.000999178e-01 -2.000999178e-01 5.24 -1.928474878e-01 -1.928474878e-01 5.26 -1.858450006e-01 -1.858450006e-01 5.28 -1.790776020e-01 -1.790776020e-01 5.30 -1.725320323e-01 -1.725320323e-01 5.32 -1.661966493e-01 -1.661966493e-01 5.34 -1.600617836e-01 -1.600617836e-01 5.36 -1.541196154e-01 -1.541196154e-01 5.38 -1.483640346e-01 -1.483640346e-01 5.40 -1.427905278e-01 -1.427905278e-01 5.42 -1.373960104e-01 -1.373960104e-01 5.44 -1.321786031e-01 -1.321786031e-01 5.46 -1.271373582e-01 -1.271373582e-01 5.48 -1.222719424e-01 -1.222719424e-01 5.50 -1.175822871e-01 -1.175822871e-01 5.52 -1.130682326e-01 -1.130682326e-01 5.54 -1.087291887e-01 -1.087291887e-01 5.56 -1.045638377e-01 -1.045638377e-01 5.58 -1.005699045e-01 -1.005699045e-01 5.60 -9.674375561e-02 -9.674375561e-02 5.62 -9.308056328e-02 -9.308056328e-02 5.64 -8.957497160e-02 -8.957497160e-02 5.66 -8.622048976e-02 -8.622048976e-02 5.68 -8.300965972e-02 -8.300965972e-02 5.70 -7.993427817e-02 -7.993427817e-02 5.72 -7.698563194e-02 -7.698563194e-02 5.74 -7.415472834e-02 -7.415472834e-02 5.76 -7.143250648e-02 -7.143250648e-02 5.78 -6.881002113e-02 -6.881002113e-02 5.80 -6.627859494e-02 -6.627859494e-02 5.82 -6.382993881e-02 -6.382993881e-02 5.84 -6.145624270e-02 -6.145624270e-02 5.86 -5.915024051e-02 -5.915024051e-02 5.88 -5.690525369e-02 -5.690525369e-02 5.90 -5.471521773e-02 -5.471521773e-02 5.92 -5.257469576e-02 -5.257469576e-02 5.94 -5.047888243e-02 -5.047888243e-02 5.96 -4.842360078e-02 -4.842360078e-02 5.98 -4.640529408e-02 -4.640529408e-02 6.00 -4.442101414e-02 -4.442101414e-02