# 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 = CuMg2Pt # 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 2.859709240e+02 2.859709240e+02 1.30 2.650014808e+02 2.650014808e+02 1.32 2.455594758e+02 2.455594758e+02 1.34 2.275312601e+02 2.275312601e+02 1.36 2.108139668e+02 2.108139668e+02 1.38 1.953098482e+02 1.953098482e+02 1.40 1.809227746e+02 1.809227746e+02 1.42 1.675589450e+02 1.675589450e+02 1.44 1.551303724e+02 1.551303724e+02 1.46 1.435585051e+02 1.435585051e+02 1.48 1.327758456e+02 1.327758456e+02 1.50 1.227248390e+02 1.227248390e+02 1.52 1.133549673e+02 1.133549673e+02 1.54 1.046196972e+02 1.046196972e+02 1.56 9.647453244e+01 9.647453244e+01 1.58 8.887634055e+01 8.887634055e+01 1.60 8.178352648e+01 8.178352648e+01 1.62 7.519295820e+01 7.519295820e+01 1.64 6.910164607e+01 6.910164607e+01 1.66 6.346919799e+01 6.346919799e+01 1.68 5.826105454e+01 5.826105454e+01 1.70 5.344784166e+01 5.344784166e+01 1.72 4.900395222e+01 4.900395222e+01 1.74 4.490563693e+01 4.490563693e+01 1.76 4.112939195e+01 4.112939195e+01 1.78 3.765135583e+01 3.765135583e+01 1.80 3.444776503e+01 3.444776503e+01 1.82 3.149584591e+01 3.149584591e+01 1.84 2.877446886e+01 2.877446886e+01 1.86 2.626431747e+01 2.626431747e+01 1.88 2.394771630e+01 2.394771630e+01 1.90 2.180839975e+01 2.180839975e+01 1.92 1.983140425e+01 1.983140425e+01 1.94 1.800310243e+01 1.800310243e+01 1.96 1.631130087e+01 1.631130087e+01 1.98 1.474528390e+01 1.474528390e+01 2.00 1.329572734e+01 1.329572734e+01 2.02 1.195447814e+01 1.195447814e+01 2.04 1.071426904e+01 1.071426904e+01 2.06 9.568452094e+00 9.568452094e+00 2.08 8.510802094e+00 8.510802094e+00 2.10 7.535402710e+00 7.535402710e+00 2.12 6.636598998e+00 6.636598998e+00 2.14 5.808997969e+00 5.808997969e+00 2.16 5.047494878e+00 5.047494878e+00 2.18 4.347300149e+00 4.347300149e+00 2.20 3.703953055e+00 3.703953055e+00 2.22 3.113313021e+00 3.113313021e+00 2.24 2.571539388e+00 2.571539388e+00 2.26 2.075068112e+00 2.075068112e+00 2.28 1.620588910e+00 1.620588910e+00 2.30 1.204494908e+00 1.204494908e+00 2.32 8.228817334e-01 8.228817334e-01 2.34 4.735217940e-01 4.735217940e-01 2.36 1.543608987e-01 1.543608987e-01 2.38 -1.365464002e-01 -1.365464002e-01 2.40 -4.010423615e-01 -4.010423615e-01 2.42 -6.408830570e-01 -6.408830570e-01 2.44 -8.577598091e-01 -8.577598091e-01 2.46 -1.053321775e+00 -1.053321775e+00 2.48 -1.229192593e+00 -1.229192593e+00 2.50 -1.386978867e+00 -1.386978867e+00 2.52 -1.528266066e+00 -1.528266066e+00 2.54 -1.654597320e+00 -1.654597320e+00 2.56 -1.767435276e+00 -1.767435276e+00 2.58 -1.868115935e+00 -1.868115935e+00 2.60 -1.957850945e+00 -1.957850945e+00 2.62 -2.037814610e+00 -2.037814610e+00 2.64 -2.108657927e+00 -2.108657927e+00 2.66 -2.170867785e+00 -2.170867785e+00 2.68 -2.224864720e+00 -2.224864720e+00 2.70 -2.271031480e+00 -2.271031480e+00 2.72 -2.309733269e+00 -2.309733269e+00 2.74 -2.341326641e+00 -2.341326641e+00 2.76 -2.366159063e+00 -2.366159063e+00 2.78 -2.384574375e+00 -2.384574375e+00 2.80 -2.396912933e+00 -2.396912933e+00 2.82 -2.403489643e+00 -2.403489643e+00 2.84 -2.404600247e+00 -2.404600247e+00 2.86 -2.400534653e+00 -2.400534653e+00 2.88 -2.391594652e+00 -2.391594652e+00 2.90 -2.378112381e+00 -2.378112381e+00 2.92 -2.360465566e+00 -2.360465566e+00 2.94 -2.339085428e+00 -2.339085428e+00 2.96 -2.314453891e+00 -2.314453891e+00 2.98 -2.287088618e+00 -2.287088618e+00 3.00 -2.257517503e+00 -2.257517503e+00 3.02 -2.226247473e+00 -2.226247473e+00 3.04 -2.193734778e+00 -2.193734778e+00 3.06 -2.160417052e+00 -2.160417052e+00 3.08 -2.126720112e+00 -2.126720112e+00 3.10 -2.092948800e+00 -2.092948800e+00 3.12 -2.059295720e+00 -2.059295720e+00 3.14 -2.025870340e+00 -2.025870340e+00 3.16 -1.992722409e+00 -1.992722409e+00 3.18 -1.959866311e+00 -1.959866311e+00 3.20 -1.927297320e+00 -1.927297320e+00 3.22 -1.895003287e+00 -1.895003287e+00 3.24 -1.862972126e+00 -1.862972126e+00 3.26 -1.831199977e+00 -1.831199977e+00 3.28 -1.799712379e+00 -1.799712379e+00 3.30 -1.768498071e+00 -1.768498071e+00 3.32 -1.737545881e+00 -1.737545881e+00 3.34 -1.706852674e+00 -1.706852674e+00 3.36 -1.676420830e+00 -1.676420830e+00 3.38 -1.646256114e+00 -1.646256114e+00 3.40 -1.616366128e+00 -1.616366128e+00 3.42 -1.586759779e+00 -1.586759779e+00 3.44 -1.557446488e+00 -1.557446488e+00 3.46 -1.528432925e+00 -1.528432925e+00 3.48 -1.499699718e+00 -1.499699718e+00 3.50 -1.471218821e+00 -1.471218821e+00 3.52 -1.442969626e+00 -1.442969626e+00 3.54 -1.414937489e+00 -1.414937489e+00 3.56 -1.387112409e+00 -1.387112409e+00 3.58 -1.359487893e+00 -1.359487893e+00 3.60 -1.332060027e+00 -1.332060027e+00 3.62 -1.304826779e+00 -1.304826779e+00 3.64 -1.277787536e+00 -1.277787536e+00 3.66 -1.250942856e+00 -1.250942856e+00 3.68 -1.224294406e+00 -1.224294406e+00 3.70 -1.197845051e+00 -1.197845051e+00 3.72 -1.171599019e+00 -1.171599019e+00 3.74 -1.145562092e+00 -1.145562092e+00 3.76 -1.119741711e+00 -1.119741711e+00 3.78 -1.094146934e+00 -1.094146934e+00 3.80 -1.068788155e+00 -1.068788155e+00 3.82 -1.043676541e+00 -1.043676541e+00 3.84 -1.018823194e+00 -1.018823194e+00 3.86 -9.942381081e-01 -9.942381081e-01 3.88 -9.699290278e-01 -9.699290278e-01 3.90 -9.459004045e-01 -9.459004045e-01 3.92 -9.221524600e-01 -9.221524600e-01 3.94 -8.986814603e-01 -8.986814603e-01 3.96 -8.754788722e-01 -8.754788722e-01 3.98 -8.525327679e-01 -8.525327679e-01 4.00 -8.298288162e-01 -8.298288162e-01 4.02 -8.073518274e-01 -8.073518274e-01 4.04 -7.850875157e-01 -7.850875157e-01 4.06 -7.630243141e-01 -7.630243141e-01 4.08 -7.411550780e-01 -7.411550780e-01 4.10 -7.194781435e-01 -7.194781435e-01 4.12 -6.979998992e-01 -6.979998992e-01 4.14 -6.767327488e-01 -6.767327488e-01 4.16 -6.556966475e-01 -6.556966475e-01 4.18 -6.349177122e-01 -6.349177122e-01 4.20 -6.144266484e-01 -6.144266484e-01 4.22 -5.942566733e-01 -5.942566733e-01 4.24 -5.744411773e-01 -5.744411773e-01 4.26 -5.550114229e-01 -5.550114229e-01 4.28 -5.359945825e-01 -5.359945825e-01 4.30 -5.174123545e-01 -5.174123545e-01 4.32 -4.992802868e-01 -4.992802868e-01 4.34 -4.816077971e-01 -4.816077971e-01 4.36 -4.643987548e-01 -4.643987548e-01 4.38 -4.476524030e-01 -4.476524030e-01 4.40 -4.313643629e-01 -4.313643629e-01 4.42 -4.155274956e-01 -4.155274956e-01 4.44 -4.001324625e-01 -4.001324625e-01 4.46 -3.851679253e-01 -3.851679253e-01 4.48 -3.706204227e-01 -3.706204227e-01 4.50 -3.564740387e-01 -3.564740387e-01 4.52 -3.427100229e-01 -3.427100229e-01 4.54 -3.293065270e-01 -3.293065270e-01 4.56 -3.162385987e-01 -3.162385987e-01 4.58 -3.034785207e-01 -3.034785207e-01 4.60 -2.909965309e-01 -2.909965309e-01 4.62 -2.787618995e-01 -2.787618995e-01 4.64 -2.667443035e-01 -2.667443035e-01 4.66 -2.549154026e-01 -2.549154026e-01 4.68 -2.432505108e-01 -2.432505108e-01 4.70 -2.317302425e-01 -2.317302425e-01 4.72 -2.203420123e-01 -2.203420123e-01 4.74 -2.090812651e-01 -2.090812651e-01 4.76 -1.979523160e-01 -1.979523160e-01 4.78 -1.869686943e-01 -1.869686943e-01 4.80 -1.761525310e-01 -1.761525310e-01 4.82 -1.655352723e-01 -1.655352723e-01 4.84 -1.551537460e-01 -1.551537460e-01 4.86 -1.450498849e-01 -1.450498849e-01 4.88 -1.352678770e-01 -1.352678770e-01 4.90 -1.258515744e-01 -1.258515744e-01 4.92 -1.168419322e-01 -1.168419322e-01 4.94 -1.082747042e-01 -1.082747042e-01 4.96 -1.001785885e-01 -1.001785885e-01 4.98 -9.257395705e-02 -9.257395705e-02 5.00 -8.547222860e-02 -8.547222860e-02 5.02 -7.887586809e-02 -7.887586809e-02 5.04 -7.277893164e-02 -7.277893164e-02 5.06 -6.716803266e-02 -6.716803266e-02 5.08 -6.202358496e-02 -6.202358496e-02 5.10 -5.732118051e-02 -5.732118051e-02 5.12 -5.303298661e-02 -5.303298661e-02 5.14 -4.912903164e-02 -4.912903164e-02 5.16 -4.557835719e-02 -4.557835719e-02 5.18 -4.235000421e-02 -4.235000421e-02 5.20 -3.941378374e-02 -3.941378374e-02 5.22 -3.674085918e-02 -3.674085918e-02 5.24 -3.430387023e-02 -3.430387023e-02 5.26 -3.207679710e-02 -3.207679710e-02 5.28 -3.003741288e-02 -3.003741288e-02 5.30 -2.816560495e-02 -2.816560495e-02 5.32 -2.644324512e-02 -2.644324512e-02 5.34 -2.485420364e-02 -2.485420364e-02 5.36 -2.338429349e-02 -2.338429349e-02 5.38 -2.202116715e-02 -2.202116715e-02 5.40 -2.075417833e-02 -2.075417833e-02 5.42 -1.957421965e-02 -1.957421965e-02 5.44 -1.847354519e-02 -1.847354519e-02 5.46 -1.744558399e-02 -1.744558399e-02 5.48 -1.648475132e-02 -1.648475132e-02 5.50 -1.558626407e-02 -1.558626407e-02 5.52 -1.474596710e-02 -1.474596710e-02 5.54 -1.396017666e-02 -1.396017666e-02 5.56 -1.322554618e-02 -1.322554618e-02 5.58 -1.253895819e-02 -1.253895819e-02 5.60 -1.189744345e-02 -1.189744345e-02 5.62 -1.129812682e-02 -1.129812682e-02 5.64 -1.073819679e-02 -1.073819679e-02 5.66 -1.021489456e-02 -1.021489456e-02 5.68 -9.725517325e-03 -9.725517325e-03 5.70 -9.267430982e-03 -9.267430982e-03 5.72 -8.838087271e-03 -8.838087271e-03 5.74 -8.435042411e-03 -8.435042411e-03 5.76 -8.056010811e-03 -8.056010811e-03 5.78 -7.698816417e-03 -7.698816417e-03 5.80 -7.361398705e-03 -7.361398705e-03 5.82 -7.041844174e-03 -7.041844174e-03 5.84 -6.738386492e-03 -6.738386492e-03 5.86 -6.449403490e-03 -6.449403490e-03 5.88 -6.173411805e-03 -6.173411805e-03 5.90 -5.909060031e-03 -5.909060031e-03 5.92 -5.655121115e-03 -5.655121115e-03 5.94 -5.410484680e-03 -5.410484680e-03 5.96 -5.174149812e-03 -5.174149812e-03 5.98 -4.945218703e-03 -4.945218703e-03 6.00 -4.722891455e-03 -4.722891455e-03